| 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 | 34.7 | Very low | 36.4 | Very low | 237 Ų | 237 | 145.7 Ų | 145.7 | 100% | 1.167 | 84% | 0.835 | S | S | * | * | 0 | 111.3 | 0 | -149.8 | 141.4 | 117.8 | 0 | 0 | 106.5 | |||||
| 2 | S | 33.3 | Very low | 36 | Very low | 111 Ų | 111 | 147.3 Ų | 147.3 | 78% | 0.776 | 83% | 0.833 | S | S | * | * | trans | 46.2 | 124.4 | 158.1 | 44.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 3 | T | 36.9 | Very low | 35.5 | Very low | 132 Ų | 132 | 147.5 Ų | 147.5 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | trans | -49.6 | 167 | 166.7 | 51.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 4 | P | 43.3 | Very low | 36 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | -143.7 | 169.7 | 81.4 | 30.3 | -7.9 | 0 | 0 | 0 | 116.3 | |||||
| 5 | D | 38.2 | Very low | 35.8 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -52.6 | 171.8 | 179.1 | -60.9 | -57.5 | 0 | 0 | 0 | 115.9 | ||||
| 6 | P | 41 | Very low | 35.6 | Very low | 131 Ų | 131 | 145.4 Ų | 145.4 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | -144 | 145 | 107.2 | 34.3 | -18 | 0 | 0 | 0 | 116 | |||||
| 7 | T | 37.2 | Very low | 35.5 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 76% | 0.761 | 82% | 0.822 | S | S | * | * | trans | -72.1 | 149.2 | 159.5 | 31.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 8 | S | 35.3 | Very low | 35.3 | Very low | 100 Ų | 100 | 143.2 Ų | 143.2 | 70% | 0.699 | 82% | 0.822 | S | S | * | * | trans | 59 | 105.6 | 147.8 | 57.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 9 | F | 33.8 | Very low | 35.4 | Very low | 213 Ų | 213 | 141.1 Ų | 141.1 | 93% | 0.934 | 82% | 0.817 | S | S | * | * | trans | -143.2 | 108.1 | 141.1 | -91 | -79.4 | 0 | 0 | 0 | 110.8 | ||||
| 10 | L | 34.8 | Very low | 35.2 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 88% | 0.88 | 82% | 0.816 | S | S | * | * | trans | -81.5 | 128.5 | 161.1 | -108 | 158.6 | 0 | 0 | 0 | 107.9 | ||||
| 11 | T | 31.5 | Very low | 35.3 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | trans | -177.6 | 123.4 | 142.5 | 9.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 12 | M | 31.5 | Very low | 35.7 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | 58.2 | 128.8 | 135.3 | -57.9 | -64.9 | -164.8 | 0 | 0 | 118.8 | ||||
| 13 | L | 29.8 | Very low | 35.8 | Very low | 149 Ų | 149 | 138 Ų | 138 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | cis | 174.8 | -179.4 | 46.2 | -142.4 | 88.2 | 0 | 0 | 0 | 105.4 | ||||
| 14 | P | 42.1 | Very low | 35.9 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | cis | -124.3 | 166.2 | -24.8 | 21.6 | 1.3 | 0 | 0 | 0 | 114.3 | ||||
| 15 | T | 34.1 | Very low | 35.6 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | trans | -50.7 | 133.2 | 158.7 | 12.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 16 | L | 32.2 | Very low | 35.7 | Very low | 176 Ų | 176 | 134.1 Ų | 134.1 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -124.2 | 101.2 | 156.6 | -103.3 | 152.3 | 0 | 0 | 0 | 108.3 | ||||
| 17 | T | 34.2 | Very low | 35.9 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -76.6 | 123 | 166.2 | 35.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 18 | S | 32.3 | Very low | 36.2 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -128.5 | 125.7 | 155.4 | 80.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 19 | S | 36.9 | Very low | 36.6 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | -79.8 | 142.7 | -171.9 | 43.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 20 | T | 31 | Very low | 37.3 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | 72.6 | 153.6 | 145.7 | 42.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 21 | P | 37.9 | Very low | 38.1 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | cis | -125.3 | 163.4 | -5.1 | 30.7 | -10 | 0 | 0 | 0 | 115.4 | V23 | P21-V23 PolarHBondContact O-N 3.37Š| ||
| 22 | E | 41.8 | Very low | 38.9 | Very low | 194 Ų | 194 | 128.4 Ų | 128.4 | 91% | 0.907 | 77% | 0.768 | S | S | * | * | trans | -33.6 | 115.2 | 166.5 | -152.2 | 167.8 | -166.2 | 0 | 0 | 114.6 | ||||
| 23 | V | 36.5 | Very low | 40.1 | Very low | 127 Ų | 127 | 124.5 Ų | 124.5 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | -108.4 | 123.7 | 162.1 | 179.1 | 0 | 0 | 0 | 0 | 106.1 | P21 A25 | P21-V23 PolarHBondContact O-N 3.37Å; V23-A25 PolarHBondContact O-N 2.96Å | ||
| 24 | P | 39.2 | Very low | 41 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | trans | -60.5 | 129.4 | 179.4 | 24 | -30.6 | 0 | 0 | 0 | 108.7 | V26 | P24-V26 PolarHBondContact O-N 2.97Š| ||
| 25 | A | 37.2 | Very low | 41.3 | Very low | 92 Ų | 92 | 128 Ų | 128 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | trans | -51.6 | 108.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | V23 E27 | V23-A25 PolarHBondContact O-N 2.96Å; A25-E27 VanDerWaalsContact C-N 3.3Å; A25-E27 PolarHBondContact O-N 2.71Å | ||
| 26 | V | 39.2 | Very low | 42.4 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | trans | -65.2 | 103.5 | 161.5 | 176.7 | 0 | 0 | 0 | 0 | 104.3 | P24 V28 | P24-V26 PolarHBondContact O-N 2.97Å; V26-V28 HydrophobicContact CG1-CG2 4.04Å; V26-V28 PolarHBondContact O-N 3.22Å | ||
| 27 | E | 44.6 | Very low | 43.5 | Very low | 177 Ų | 177 | 131.4 Ų | 131.4 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | trans | -59.2 | 82.6 | 160.1 | -74.7 | -171 | 154.6 | 0 | 0 | 107.3 | A25 N29 | A25-E27 VanDerWaalsContact C-N 3.3Å; A25-E27 PolarHBondContact O-N 2.71Å; E27-N29 PolarHBondContact O-N 2.84Å; E27-N29 VanDerWaalsContact O-N 3.11Å | ||
| 28 | V | 43.8 | Very low | 44.5 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | trans | -61.7 | 112.7 | 155.8 | 179.6 | 0 | 0 | 0 | 0 | 103.3 | V26 A30 | V26-V28 HydrophobicContact CG1-CG2 4.04Å; V26-V28 PolarHBondContact O-N 3.22Å; V28-A30 PolarHBondContact O-N 3.42Å | ||
| 29 | N | 43.4 | Very low | 45.8 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | trans | -43.7 | 89.9 | 167.1 | -85.9 | -24.8 | 0 | 0 | 0 | 108.7 | E27 T31 | E27-N29 PolarHBondContact O-N 2.84Å; E27-N29 VanDerWaalsContact O-N 3.11Å; N29-T31 PolarHBondContact O-N 2.86Å | ||
| 30 | A | 48.5 | Very low | 47.1 | Very low | 89 Ų | 89 | 130.1 Ų | 130.1 | 74% | 0.736 | 72% | 0.719 | S | S | * | * | trans | -73.4 | 88.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 103.8 | V28 S32 | V28-A30 PolarHBondContact O-N 3.42Å; A30-S32 PolarHBondContact O-N 3.3Å | ||
| 31 | T | 51.9 | Low | 49.2 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 78% | 0.779 | 69% | 0.694 | S | S | * | * | trans | -56 | 98.9 | 157.8 | 45.1 | 0 | 0 | 0 | 0 | 105.5 | N29 C33 | N29-T31 PolarHBondContact O-N 2.86Å; T31-C33 PolarHBondContact O-N 3.11Å | ||
| 32 | S | 49.1 | Very low | 51.4 | Low | 74 Ų | 74 | 128.3 Ų | 128.3 | 52% | 0.517 | 69% | 0.694 | S | S | . | * | trans | -47 | 97.1 | -173.8 | 168.1 | 0 | 0 | 0 | 0 | 111.4 | A30 Q34 | A30-S32 PolarHBondContact O-N 3.3Å; S32-Q34 PolarHBondContact O-N 3.39Å; S32-Q34 WeakPolarHBondContact OG-CB 3.39Å; S32-Q34 WeakPolarHBondContact OG-CG 3.32Å | ||
| 33 | C | 56.9 | Low | 53.3 | Low | 82 Ų | 82 | 120.9 Ų | 120.9 | 55% | 0.554 | 66% | 0.66 | S | S | * | * | trans | -71.1 | 68.9 | 155.7 | -75.1 | 0 | 0 | 0 | 0 | 107 | T31 C88 | T31-C33 PolarHBondContact O-N 3.11Å; C33-C88 HydrophobicContact CB-CB 3.83Å; C33-C88 WeakPolarHBondContact CB-SG 3.36Å; C33-C88 WeakPolarHBondContact SG-CB 3.18Å; C33-C88 CovalentContact SG-SG 2.07Å; C33-C88 PolarHBondContact SG-SG 2.91Å | ||
| 34 | Q | 49.1 | Very low | 55.7 | Low | 168 Ų | 168 | 117.5 Ų | 117.5 | 79% | 0.785 | 64% | 0.635 | S | S | * | * | trans | -80 | 124.4 | 177.9 | -107.1 | 179.8 | 5.1 | 0 | 0 | 110.1 | S32 | S32-Q34 PolarHBondContact O-N 3.39Å; S32-Q34 WeakPolarHBondContact OG-CB 3.39Å; S32-Q34 WeakPolarHBondContact OG-CG 3.32Å | ||
| 35 | Q | 47.3 | Very low | 58 | Low | 159 Ų | 159 | 116.7 Ų | 116.7 | 74% | 0.743 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 44.8 | 88 | 146.1 | -149.5 | 72.2 | -12 | 0 | 0 | 118 | E37 | Q35-E37 PolarHBondContact O-N 3.35Š|
| 36 | W | 57.9 | Low | 60.5 | Low | 232 Ų | 232 | 116.5 Ų | 116.5 | 88% | 0.879 | 61% | 0.608 | S | S | * | * | trans | 29.2 | 79.5 | 141.4 | -61.7 | 81.3 | 0 | 0 | 0 | 116.9 | ||||
| 37 | E | 54.7 | Low | 63 | Low | 145 Ų | 145 | 110.7 Ų | 110.7 | 68% | 0.678 | 57% | 0.572 | S | S | * | * | trans | -96.2 | 154.4 | 163.1 | -144.2 | 173 | -166.2 | 0 | 0 | 111 | Q35 V39 | Q35-E37 PolarHBondContact O-N 3.35Å; E37-V39 PolarHBondContact O-N 3.46Å | ||
| 38 | Q | 55.3 | Low | 65.1 | Low | 159 Ų | 159 | 105.4 Ų | 105.4 | 74% | 0.743 | 55% | 0.549 | S | S | * | . | trans | -36.4 | 124.7 | -170.6 | -111.5 | 89 | -20.9 | 0 | 0 | 113.8 | N40 H41 | Q38-N40 PolarHBondContact O-N 3.24Å; Q38-H41 PolarHBondContact O-N 3.1Å | ||
| 39 | V | 58.6 | Low | 67.5 | Low | 73 Ų | 73 | 104.1 Ų | 104.1 | 44% | 0.442 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -44.4 | -24.3 | 173.3 | 175.3 | 0 | 0 | 0 | 0 | 113.4 | E37 W82 | E37-V39 PolarHBondContact O-N 3.46Å; V39-W82 WeakPolarHBondContact O-CZ2 3.42Å |
| 40 | N | 64.2 | Low | 69.8 | Low | 94 Ų | 94 | 97.6 Ų | 97.6 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | trans | -110.2 | 55.5 | -171.8 | -62.6 | -30 | 0 | 0 | 0 | 112.8 | Q38 | Q38-N40 PolarHBondContact O-N 3.24Š| ||
| 41 | H | 77.1 | Confident | 71.8 | Confident | 57 Ų | 57 | 95.9 Ų | 95.9 | 26% | 0.264 | 48% | 0.483 | S | S | . | . | trans | -66.6 | 150.9 | 173.8 | -166.8 | -96.3 | 0 | 0 | 0 | 111.1 | Q38 L43 F44 H45 Y86 | Q38-H41 PolarHBondContact O-N 3.1Å; H41-L43 PolarHBondContact ND1-N 2.8Å; H41-L43 PolarHBondContact O-N 3.33Å; H41-F44 VanDerWaalsContact O-CB 3.29Å; H41-F44 WeakPolarHBondContact O-CB 3.26Å; H41-F44 PolarHBondContact O-N 2.84Å; H41-H45 PolarHBondContact O-N 3.04Å; H41-Y86 AromaticContact CD2-CE1 3.59Å; H41-Y86 AromaticContact CD2-CZ 3.9Å; H41-Y86 AromaticContact CE1-CE1 3.89Å; H41-Y86 AromaticContact CE1-CE2 3.88Å; H41-Y86 AromaticContact CE1-CZ 3.39Å; H41-Y86 PolarHBondContact CE1-OH 3.02Å; H41-Y86 VanDerWaalsContact CE1-OH 3.22Å; H41-Y86 AromaticContact ND1-CE2 3.91Å; H41-Y86 AromaticContact ND1-CZ 3.82Å; H41-Y86 AromaticContact NE2-CE1 3.5Å; H41-Y86 WeakPolarHBondContact NE2-CE1 3.43Å; H41-Y86 AromaticContact NE2-CZ 3.46Å; H41-Y86 PolarHBondContact NE2-OH 3.19Å | ||
| 42 | M | 82.2 | Confident | 73.8 | Confident | 149 Ų | 149 | 94.3 Ų | 94.3 | 73% | 0.734 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -55.3 | -31.7 | -177.8 | -71.6 | -67 | 161.6 | 0 | 0 | 113.5 | F44 H45 L46 | M42-F44 VanDerWaalsContact C-N 3.31Å; M42-F44 PolarHBondContact O-N 3.06Å; M42-H45 PolarHBondContact O-N 3.31Å; M42-L46 WeakPolarHBondContact O-CB 3.46Å; M42-L46 PolarHBondContact O-N 3.31Å |
| 43 | L | 83.3 | Confident | 75.8 | Confident | 38 Ų | 38 | 95 Ų | 95 | 20% | 0.199 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -62.4 | -35.8 | 175.2 | -68.8 | 171.2 | 0 | 0 | 0 | 113 | H41 G47 L78 W82 Y86 | H41-L43 PolarHBondContact ND1-N 2.8Å; H41-L43 PolarHBondContact O-N 3.33Å; L43-G47 PolarHBondContact O-N 2.96Å; L43-L78 HydrophobicContact CD2-CD2 3.86Å; L43-W82 HydrophobicContact CB-CB 4.17Å; L43-Y86 HydrophobicContact CD1-CD2 4.37Å; L43-Y86 HydrophobicContact CD1-CE2 3.58Å |
| 44 | F | 85.6 | Confident | 77.3 | Confident | 56 Ų | 56 | 91.1 Ų | 91.1 | 25% | 0.246 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -67.1 | -44.7 | 176.8 | -179.9 | -96.4 | 0 | 0 | 0 | 110.6 | H41 M42 G47 N48 F79 W82 | H41-F44 VanDerWaalsContact O-CB 3.29Å; H41-F44 WeakPolarHBondContact O-CB 3.26Å; H41-F44 PolarHBondContact O-N 2.84Å; M42-F44 VanDerWaalsContact C-N 3.31Å; M42-F44 PolarHBondContact O-N 3.06Å; F44-G47 PolarHBondContact O-N 2.8Å; F44-N48 WeakPolarHBondContact CD1-ND2 3.19Å; F44-N48 WeakPolarHBondContact CE1-ND2 3.41Å; F44-N48 WeakPolarHBondContact CZ-ND2 3.19Å; F44-N48 PolarHBondContact O-N 3.24Å; F44-N48 PolarHBondContact O-ND2 2.76Å; F44-F79 HydrophobicContact CD2-CD1 4.19Å; F44-F79 AromaticContact CD2-CE1 3.54Å; F44-F79 HydrophobicContact CD2-CE1 3.54Å; F44-F79 HydrophobicContact CE2-CD1 4.49Å; F44-F79 AromaticContact CE2-CE1 3.64Å; F44-F79 HydrophobicContact CE2-CE1 3.64Å; F44-F79 HydrophobicContact CG-CE1 4.42Å; F44-W82 HydrophobicContact CB-CD2 4.48Å; F44-W82 HydrophobicContact CB-CG 4.41Å; F44-W82 HydrophobicContact CD2-CD2 4.3Å; F44-W82 HydrophobicContact CD2-CE3 4.39Å; F44-W82 HydrophobicContact CD2-CH2 4.16Å; F44-W82 HydrophobicContact CD2-CZ2 4.09Å; F44-W82 HydrophobicContact CD2-CZ3 4.34Å; F44-W82 HydrophobicContact CE2-CH2 4.46Å |
| 45 | H | 88.4 | Confident | 79.1 | Confident | 93 Ų | 93 | 89.6 Ų | 89.6 | 43% | 0.431 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.2 | -40.2 | 175.9 | -68.6 | -63.2 | 0 | 0 | 0 | 112.4 | H41 M42 N48 L49 | H41-H45 PolarHBondContact O-N 3.04Å; M42-H45 PolarHBondContact O-N 3.31Å; H45-N48 PolarHBondContact O-N 3.44Å; H45-L49 VanDerWaalsContact O-CB 3.31Å; H45-L49 WeakPolarHBondContact O-CB 3.24Å; H45-L49 PolarHBondContact O-N 3.36Å |
| 46 | L | 90.4 | Very high | 81.2 | Confident | 89 Ų | 89 | 87.5 Ų | 87.5 | 47% | 0.466 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.8 | -38.5 | 177.3 | -169 | 63.6 | 0 | 0 | 0 | 111.9 | M42 L49 S50 L78 | M42-L46 WeakPolarHBondContact O-CB 3.46Å; M42-L46 PolarHBondContact O-N 3.31Å; L46-L49 HydrophobicContact CD1-CD2 4.5Å; L46-L49 PolarHBondContact O-N 3.49Å; L46-S50 WeakPolarHBondContact O-CB 3.14Å; L46-S50 PolarHBondContact O-N 2.87Å; L46-S50 PolarHBondContact O-OG 2.81Å; L46-L78 HydrophobicContact CB-CD1 4.17Å; L46-L78 HydrophobicContact CD2-CD1 4.02Å; L46-L78 HydrophobicContact CD2-CD2 4.2Å; L46-L78 HydrophobicContact CG-CD1 3.75Å |
| 47 | G | 89.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.3 | -52.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | L43 F44 L49 S50 L51 | L43-G47 PolarHBondContact O-N 2.96Å; F44-G47 PolarHBondContact O-N 2.8Å; G47-L49 PolarHBondContact O-N 2.69Å; G47-S50 PolarHBondContact O-N 3.23Å; G47-S50 PolarHBondContact O-OG 3.09Å; G47-L51 WeakPolarHBondContact O-CG 3.2Å; G47-L51 PolarHBondContact O-N 2.95Å |
| 48 | N | 90.6 | Very high | 84.1 | Confident | 65 Ų | 65 | 73.7 Ų | 73.7 | 35% | 0.348 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 176.6 | -75.8 | -60.4 | 0 | 0 | 0 | 113 | F44 H45 S50 L51 L52 | F44-N48 WeakPolarHBondContact CD1-ND2 3.19Å; F44-N48 WeakPolarHBondContact CE1-ND2 3.41Å; F44-N48 WeakPolarHBondContact CZ-ND2 3.19Å; F44-N48 PolarHBondContact O-N 3.24Å; F44-N48 PolarHBondContact O-ND2 2.76Å; H45-N48 PolarHBondContact O-N 3.44Å; N48-S50 VanDerWaalsContact C-N 3.33Å; N48-S50 PolarHBondContact O-N 3.44Å; N48-L51 PolarHBondContact O-N 2.79Å; N48-L52 WeakPolarHBondContact O-CB 3.35Å; N48-L52 PolarHBondContact O-N 2.97Å |
| 49 | L | 93.1 | Very high | 85.3 | Confident | 88 Ų | 88 | 71.8 Ų | 71.8 | 46% | 0.461 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 176.1 | 179.6 | 63.2 | 0 | 0 | 0 | 111.1 | H45 L46 G47 L51 L52 L53 | H45-L49 VanDerWaalsContact O-CB 3.31Å; H45-L49 WeakPolarHBondContact O-CB 3.24Å; H45-L49 PolarHBondContact O-N 3.36Å; L46-L49 HydrophobicContact CD1-CD2 4.5Å; L46-L49 PolarHBondContact O-N 3.49Å; G47-L49 PolarHBondContact O-N 2.69Å; L49-L51 PolarHBondContact O-N 2.93Å; L49-L52 PolarHBondContact O-N 3.26Å; L49-L53 HydrophobicContact CD1-CD1 4.3Å; L49-L53 HydrophobicContact CD1-CG 4.2Å; L49-L53 HydrophobicContact CG-CD1 4.04Å; L49-L53 HydrophobicContact CG-CG 4.38Å; L49-L53 WeakPolarHBondContact O-CB 3.48Å; L49-L53 VanDerWaalsContact O-CG 3.29Å; L49-L53 WeakPolarHBondContact O-CG 2.99Å; L49-L53 PolarHBondContact O-N 2.96Å |
| 50 | S | 91.5 | Very high | 86.1 | Confident | 12 Ų | 12 | 74.3 Ų | 74.3 | 8% | 0.084 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.1 | -38.4 | 177.7 | 72.4 | 0 | 0 | 0 | 0 | 112.5 | L46 G47 N48 G54 G75 | L46-S50 WeakPolarHBondContact O-CB 3.14Å; L46-S50 PolarHBondContact O-N 2.87Å; L46-S50 PolarHBondContact O-OG 2.81Å; G47-S50 PolarHBondContact O-N 3.23Å; G47-S50 PolarHBondContact O-OG 3.09Å; N48-S50 VanDerWaalsContact C-N 3.33Å; N48-S50 PolarHBondContact O-N 3.44Å; S50-G54 PolarHBondContact O-N 2.88Å; S50-G75 WeakPolarHBondContact OG-CA 3.42Å; S50-G75 PolarHBondContact OG-N 3.41Å |
| 51 | L | 90.8 | Very high | 86.9 | Confident | 54 Ų | 54 | 74 Ų | 74 | 28% | 0.283 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.7 | -44.6 | 173.9 | -67 | -174.6 | 0 | 0 | 0 | 111.5 | G47 N48 L49 G54 L55 L72 F79 | G47-L51 WeakPolarHBondContact O-CG 3.2Å; G47-L51 PolarHBondContact O-N 2.95Å; N48-L51 PolarHBondContact O-N 2.79Å; L49-L51 PolarHBondContact O-N 2.93Å; L51-G54 PolarHBondContact O-N 2.93Å; L51-L55 WeakPolarHBondContact O-CG 3.29Å; L51-L55 PolarHBondContact O-N 2.88Å; L51-L55 VanDerWaalsContact O-N 3.11Å; L51-L72 HydrophobicContact CD2-CG 4.23Å; L51-F79 HydrophobicContact CD1-CD2 4.41Å; L51-F79 HydrophobicContact CD1-CE2 3.6Å; L51-F79 HydrophobicContact CD1-CZ 4.43Å; L51-F79 HydrophobicContact CG-CE2 4.25Å |
| 52 | L | 93.1 | Very high | 86.8 | Confident | 94 Ų | 94 | 73.9 Ų | 73.9 | 49% | 0.492 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.6 | -48 | 176.7 | 179.5 | 65.7 | 0 | 0 | 0 | 111.2 | N48 L49 G54 L55 L56 | N48-L52 WeakPolarHBondContact O-CB 3.35Å; N48-L52 PolarHBondContact O-N 2.97Å; L49-L52 PolarHBondContact O-N 3.26Å; L52-G54 PolarHBondContact O-N 2.82Å; L52-L55 PolarHBondContact O-N 2.9Å; L52-L55 VanDerWaalsContact O-N 3.09Å; L52-L56 HydrophobicContact CD1-CD1 4.15Å; L52-L56 HydrophobicContact CD1-CG 4.33Å; L52-L56 HydrophobicContact CD2-CD1 4.41Å; L52-L56 HydrophobicContact CG-CD1 3.83Å; L52-L56 HydrophobicContact CG-CG 4.4Å; L52-L56 WeakPolarHBondContact O-CG 3.38Å; L52-L56 PolarHBondContact O-N 3.39Å |
| 53 | L | 91.7 | Very high | 86.8 | Confident | 88 Ų | 88 | 72.2 Ų | 72.2 | 46% | 0.461 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.2 | -35.7 | 176.3 | -76.5 | 174.8 | 0 | 0 | 0 | 111.5 | L49 L56 I57 L71 | L49-L53 HydrophobicContact CD1-CD1 4.3Å; L49-L53 HydrophobicContact CD1-CG 4.2Å; L49-L53 HydrophobicContact CG-CD1 4.04Å; L49-L53 HydrophobicContact CG-CG 4.38Å; L49-L53 WeakPolarHBondContact O-CB 3.48Å; L49-L53 VanDerWaalsContact O-CG 3.29Å; L49-L53 WeakPolarHBondContact O-CG 2.99Å; L49-L53 PolarHBondContact O-N 2.96Å; L53-L56 PolarHBondContact O-N 2.83Å; L53-I57 WeakPolarHBondContact O-CG1 3.23Å; L53-I57 PolarHBondContact O-N 3.07Å; L53-L71 HydrophobicContact CB-CD2 3.44Å; L53-L71 VanDerWaalsContact CB-CD2 3.44Å |
| 54 | G | 88.9 | Confident | 87 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S50 L51 L52 I57 L68 L71 | S50-G54 PolarHBondContact O-N 2.88Å; L51-G54 PolarHBondContact O-N 2.93Å; L52-G54 PolarHBondContact O-N 2.82Å; G54-I57 WeakPolarHBondContact O-CD1 3.29Å; G54-I57 WeakPolarHBondContact O-CG1 3.48Å; G54-L68 WeakPolarHBondContact O-CD1 3.44Å; G54-L71 VanDerWaalsContact N-CD2 3.33Å |
| 55 | L | 87.4 | Confident | 87 | Confident | 136 Ų | 136 | 72.6 Ų | 72.6 | 71% | 0.712 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -76.7 | -24.9 | -179.9 | -64.6 | 174.7 | 0 | 0 | 0 | 113.6 | L51 L52 I57 | L51-L55 WeakPolarHBondContact O-CG 3.29Å; L51-L55 PolarHBondContact O-N 2.88Å; L51-L55 VanDerWaalsContact O-N 3.11Å; L52-L55 PolarHBondContact O-N 2.9Å; L52-L55 VanDerWaalsContact O-N 3.09Å; L55-I57 VanDerWaalsContact C-N 3.32Å |
| 56 | L | 90.8 | Very high | 87.1 | Confident | 115 Ų | 115 | 69.3 Ų | 69.3 | 60% | 0.602 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -7.2 | 179.1 | -73 | 172.5 | 0 | 0 | 0 | 113.8 | L52 L53 P58 | L52-L56 HydrophobicContact CD1-CD1 4.15Å; L52-L56 HydrophobicContact CD1-CG 4.33Å; L52-L56 HydrophobicContact CD2-CD1 4.41Å; L52-L56 HydrophobicContact CG-CD1 3.83Å; L52-L56 HydrophobicContact CG-CG 4.4Å; L52-L56 WeakPolarHBondContact O-CG 3.38Å; L52-L56 PolarHBondContact O-N 3.39Å; L53-L56 PolarHBondContact O-N 2.83Å; L56-P58 WeakPolarHBondContact O-CD 3.42Å |
| 57 | I | 88.5 | Confident | 87.1 | Confident | 18 Ų | 18 | 68.6 Ų | 68.6 | 9% | 0.092 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -62.4 | 126.4 | -178.6 | -52.1 | 169.8 | 0 | 0 | 0 | 108.3 | L53 G54 L55 T59 L61 H64 L67 L68 L71 | L53-I57 WeakPolarHBondContact O-CG1 3.23Å; L53-I57 PolarHBondContact O-N 3.07Å; G54-I57 WeakPolarHBondContact O-CD1 3.29Å; G54-I57 WeakPolarHBondContact O-CG1 3.48Å; L55-I57 VanDerWaalsContact C-N 3.32Å; I57-T59 PolarHBondContact O-N 3.27Å; I57-L61 HydrophobicContact CG2-CD1 3.93Å; I57-H64 HydrophobicContact CG2-CB 4.42Å; I57-H64 VanDerWaalsContact CG2-CD2 3.41Å; I57-H64 WeakPolarHBondContact CG2-CD2 3.48Å; I57-H64 PolarHBondContact O-CD2 2.98Å; I57-H64 PolarHBondContact O-NE2 2.87Å; I57-L67 HydrophobicContact CD1-CB 3.89Å; I57-L67 HydrophobicContact CD1-CD2 3.78Å; I57-L67 HydrophobicContact CD1-CG 3.55Å; I57-L67 HydrophobicContact CG1-CD2 4.27Å; I57-L67 HydrophobicContact CG2-CD2 4.01Å; I57-L68 HydrophobicContact CD1-CB 4.32Å; I57-L71 HydrophobicContact CD1-CD1 4.46Å |
| 58 | P | 84.4 | Confident | 87.2 | Confident | 69 Ų | 69 | 69.9 Ų | 69.9 | 45% | 0.448 | 39% | 0.393 | S | S | . | . | trans | -69.8 | 134.6 | 178.1 | 25.3 | -31.3 | 0 | 0 | 0 | 110.8 | L56 T60 L61 H64 | L56-P58 WeakPolarHBondContact O-CD 3.42Å; P58-T60 PolarHBondContact O-N 3.37Å; P58-L61 HydrophobicContact CG-CD1 4.11Å; P58-L61 HydrophobicContact CG-CG 4.22Å; P58-L61 PolarHBondContact O-N 2.9Å; P58-H64 PolarHBondContact O-CD2 2.92Å; P58-H64 VanDerWaalsContact O-CD2 3.28Å | ||
| 59 | T | 80.7 | Confident | 87.3 | Confident | 120 Ų | 120 | 69.2 Ų | 69.2 | 74% | 0.736 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -9.5 | 179.7 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | I57 L61 | I57-T59 PolarHBondContact O-N 3.27Å; T59-L61 VanDerWaalsContact C-N 3.26Å; T59-L61 PolarHBondContact O-N 3.44Å |
| 60 | T | 76.7 | Confident | 87.3 | Confident | 125 Ų | 125 | 68.8 Ų | 68.8 | 77% | 0.767 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -16.1 | 176.7 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | P58 | P58-T60 PolarHBondContact O-N 3.37Š|
| 61 | L | 79.1 | Confident | 87.4 | Confident | 88 Ų | 88 | 69.9 Ų | 69.9 | 46% | 0.461 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -80.2 | 126 | 177.5 | -63.3 | 176 | 0 | 0 | 0 | 110.9 | I57 P58 T59 L63 H64 | I57-L61 HydrophobicContact CG2-CD1 3.93Å; P58-L61 HydrophobicContact CG-CD1 4.11Å; P58-L61 HydrophobicContact CG-CG 4.22Å; P58-L61 PolarHBondContact O-N 2.9Å; T59-L61 VanDerWaalsContact C-N 3.26Å; T59-L61 PolarHBondContact O-N 3.44Å; L61-L63 PolarHBondContact O-N 3.33Å; L61-H64 HydrophobicContact CB-CB 4.28Å; L61-H64 WeakPolarHBondContact O-CB 3.43Å; L61-H64 PolarHBondContact O-N 2.81Å |
| 62 | G | 75.3 | Confident | 87.5 | Confident | 55 Ų | 55 | 69 Ų | 69 | 57% | 0.567 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -21.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R114 | G62-R114 VanDerWaalsContact O-CZ 3.23Å; G62-R114 PolarHBondContact O-NH1 2.92Å; G62-R114 PolarHBondContact O-NH2 3.16Å |
| 63 | L | 82.3 | Confident | 87.6 | Confident | 113 Ų | 113 | 66 Ų | 66 | 59% | 0.592 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | 6.3 | 177 | -61.2 | 176.4 | 0 | 0 | 0 | 113.7 | L61 M65 I66 L67 | L61-L63 PolarHBondContact O-N 3.33Å; L63-M65 VanDerWaalsContact C-N 3.31Å; L63-M65 PolarHBondContact O-N 2.8Å; L63-I66 HydrophobicContact CD2-CD1 4.09Å; L63-I66 PolarHBondContact O-N 3.18Å; L63-L67 PolarHBondContact O-N 3.22Å |
| 64 | H | 87.4 | Confident | 87.7 | Confident | 25 Ų | 25 | 65.2 Ų | 65.2 | 12% | 0.116 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -46.8 | -50.9 | -176 | 169.1 | -86.5 | 0 | 0 | 0 | 112.8 | I57 P58 L61 I66 L67 L68 | I57-H64 HydrophobicContact CG2-CB 4.42Å; I57-H64 VanDerWaalsContact CG2-CD2 3.41Å; I57-H64 WeakPolarHBondContact CG2-CD2 3.48Å; I57-H64 PolarHBondContact O-CD2 2.98Å; I57-H64 PolarHBondContact O-NE2 2.87Å; P58-H64 PolarHBondContact O-CD2 2.92Å; P58-H64 VanDerWaalsContact O-CD2 3.28Å; L61-H64 HydrophobicContact CB-CB 4.28Å; L61-H64 WeakPolarHBondContact O-CB 3.43Å; L61-H64 PolarHBondContact O-N 2.81Å; H64-I66 VanDerWaalsContact C-N 3.28Å; H64-I66 PolarHBondContact O-N 3.07Å; H64-L67 PolarHBondContact O-N 3.11Å; H64-L68 VanDerWaalsContact O-CB 3.29Å; H64-L68 WeakPolarHBondContact O-CB 3.41Å; H64-L68 PolarHBondContact O-N 3.01Å |
| 65 | M | 86.8 | Confident | 87.9 | Confident | 78 Ų | 78 | 65.2 Ų | 65.2 | 38% | 0.384 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.4 | -30 | -177.5 | -63.3 | -60.5 | -74.6 | 0 | 0 | 113.5 | L63 R69 L110 | L63-M65 VanDerWaalsContact C-N 3.31Å; L63-M65 PolarHBondContact O-N 2.8Å; M65-R69 VanDerWaalsContact O-CG 3.25Å; M65-R69 WeakPolarHBondContact O-CG 3.47Å; M65-R69 PolarHBondContact O-N 2.9Å; M65-L110 HydrophobicContact CB-CD1 4.07Å |
| 66 | I | 90.1 | Very high | 88.1 | Confident | 24 Ų | 24 | 59.2 Ų | 59.2 | 12% | 0.123 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -77.6 | -46.7 | 177.4 | -65.7 | 171.8 | 0 | 0 | 0 | 109.3 | L63 H64 L68 R69 L70 L107 L111 R114 | L63-I66 HydrophobicContact CD2-CD1 4.09Å; L63-I66 PolarHBondContact O-N 3.18Å; H64-I66 VanDerWaalsContact C-N 3.28Å; H64-I66 PolarHBondContact O-N 3.07Å; I66-L68 VanDerWaalsContact C-N 3.35Å; I66-L68 PolarHBondContact O-N 3.2Å; I66-R69 PolarHBondContact O-N 3.12Å; I66-L70 HydrophobicContact CG2-CD1 4.05Å; I66-L70 HydrophobicContact CG2-CG 4.5Å; I66-L70 WeakPolarHBondContact O-CG 3.05Å; I66-L70 PolarHBondContact O-N 3.41Å; I66-L107 HydrophobicContact CG2-CD1 3.86Å; I66-L111 HydrophobicContact CD1-CD2 4.24Å; I66-R114 HydrophobicContact CD1-CG 4.41Å |
| 67 | L | 89.9 | Confident | 88.2 | Confident | 73 Ų | 73 | 56.3 Ų | 56.3 | 38% | 0.382 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | -179.6 | -172.1 | 63 | 0 | 0 | 0 | 111.2 | I57 L63 H64 R69 L70 L71 | I57-L67 HydrophobicContact CD1-CB 3.89Å; I57-L67 HydrophobicContact CD1-CD2 3.78Å; I57-L67 HydrophobicContact CD1-CG 3.55Å; I57-L67 HydrophobicContact CG1-CD2 4.27Å; I57-L67 HydrophobicContact CG2-CD2 4.01Å; L63-L67 PolarHBondContact O-N 3.22Å; H64-L67 PolarHBondContact O-N 3.11Å; L67-R69 PolarHBondContact O-N 3.17Å; L67-L70 PolarHBondContact O-N 3.14Å; L67-L71 HydrophobicContact CD1-CD1 3.52Å; L67-L71 HydrophobicContact CG-CD1 3.75Å; L67-L71 WeakPolarHBondContact O-CD1 3.21Å; L67-L71 PolarHBondContact O-N 3.39Å |
| 68 | L | 92.3 | Very high | 88.4 | Confident | 27 Ų | 27 | 57 Ų | 57 | 14% | 0.141 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -52 | -52.4 | 172 | 175.3 | 69.4 | 0 | 0 | 0 | 111.2 | G54 I57 H64 I66 L70 L71 L72 | G54-L68 WeakPolarHBondContact O-CD1 3.44Å; I57-L68 HydrophobicContact CD1-CB 4.32Å; H64-L68 VanDerWaalsContact O-CB 3.29Å; H64-L68 WeakPolarHBondContact O-CB 3.41Å; H64-L68 PolarHBondContact O-N 3.01Å; I66-L68 VanDerWaalsContact C-N 3.35Å; I66-L68 PolarHBondContact O-N 3.2Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-L70 PolarHBondContact O-N 3.22Å; L68-L71 PolarHBondContact O-N 3.28Å; L68-L72 HydrophobicContact CD1-CD1 3.54Å; L68-L72 HydrophobicContact CG-CD1 4.06Å; L68-L72 WeakPolarHBondContact O-CD1 3.35Å; L68-L72 PolarHBondContact O-N 3.16Å |
| 69 | R | 92.7 | Very high | 88.7 | Confident | 52 Ų | 52 | 54.6 Ų | 54.6 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.3 | -37.3 | -179.1 | -64.4 | -63.7 | 178.3 | -171.3 | 3 | 112.4 | M65 I66 L67 M73 N103 H106 L107 L110 | M65-R69 VanDerWaalsContact O-CG 3.25Å; M65-R69 WeakPolarHBondContact O-CG 3.47Å; M65-R69 PolarHBondContact O-N 2.9Å; I66-R69 PolarHBondContact O-N 3.12Å; L67-R69 PolarHBondContact O-N 3.17Å; R69-M73 WeakPolarHBondContact O-CB 3.29Å; R69-M73 WeakPolarHBondContact O-CG 3.36Å; R69-M73 PolarHBondContact O-N 2.93Å; R69-N103 WeakPolarHBondContact CD-OD1 3.35Å; R69-N103 PolarHBondContact NH1-OD1 3.01Å; R69-H106 PolarHBondContact NE-CD2 2.89Å; R69-H106 PolarHBondContact NH2-CD2 3.32Å; R69-H106 PolarHBondContact NH2-NE2 3.37Å; R69-L107 HydrophobicContact CB-CB 4.27Å; R69-L107 HydrophobicContact CB-CD1 4.33Å; R69-L110 HydrophobicContact CG-CD1 4.19Å |
| 70 | L | 93 | Very high | 89.1 | Confident | 78 Ų | 78 | 50.3 Ų | 50.3 | 41% | 0.408 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 175.4 | -71.8 | 171.5 | 0 | 0 | 0 | 112 | I66 L67 L68 M73 T74 L107 | I66-L70 HydrophobicContact CG2-CD1 4.05Å; I66-L70 HydrophobicContact CG2-CG 4.5Å; I66-L70 WeakPolarHBondContact O-CG 3.05Å; I66-L70 PolarHBondContact O-N 3.41Å; L67-L70 PolarHBondContact O-N 3.14Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-L70 PolarHBondContact O-N 3.22Å; L70-M73 WeakPolarHBondContact O-CB 3.48Å; L70-M73 PolarHBondContact O-N 3.23Å; L70-T74 PolarHBondContact O-N 2.9Å; L70-T74 PolarHBondContact O-OG1 2.98Å; L70-L107 HydrophobicContact CD2-CD1 4.39Å; L70-L107 HydrophobicContact CD2-CD2 3.67Å; L70-L107 HydrophobicContact CG-CD1 4.33Å; L70-L107 HydrophobicContact CG-CD2 4.42Å |
| 71 | L | 92.9 | Very high | 89.7 | Confident | 35 Ų | 35 | 45.9 Ų | 45.9 | 18% | 0.183 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.6 | -38 | 178.1 | -88.1 | 80.7 | 0 | 0 | 0 | 112.1 | L53 G54 I57 L67 L68 T74 G75 | L53-L71 HydrophobicContact CB-CD2 3.44Å; L53-L71 VanDerWaalsContact CB-CD2 3.44Å; G54-L71 VanDerWaalsContact N-CD2 3.33Å; I57-L71 HydrophobicContact CD1-CD1 4.46Å; L67-L71 HydrophobicContact CD1-CD1 3.52Å; L67-L71 HydrophobicContact CG-CD1 3.75Å; L67-L71 WeakPolarHBondContact O-CD1 3.21Å; L67-L71 PolarHBondContact O-N 3.39Å; L68-L71 PolarHBondContact O-N 3.28Å; L71-T74 PolarHBondContact O-N 3.46Å; L71-G75 PolarHBondContact O-N 3.5Å |
| 72 | L | 92.9 | Very high | 90.1 | Very high | 35 Ų | 35 | 42.4 Ų | 42.4 | 18% | 0.183 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62 | -42.8 | 172.7 | -92.6 | 71.1 | 0 | 0 | 0 | 111.7 | L51 L68 G75 C76 | L51-L72 HydrophobicContact CD2-CG 4.23Å; L68-L72 HydrophobicContact CD1-CD1 3.54Å; L68-L72 HydrophobicContact CG-CD1 4.06Å; L68-L72 WeakPolarHBondContact O-CD1 3.35Å; L68-L72 PolarHBondContact O-N 3.16Å; L72-G75 PolarHBondContact O-N 3.1Å; L72-C76 PolarHBondContact O-N 2.69Å; L72-C76 PolarHBondContact O-SG 2.97Å; L72-C76 VanDerWaalsContact O-SG 3.34Å |
| 73 | M | 94.9 | Very high | 90.6 | Very high | 31 Ų | 31 | 39.9 Ų | 39.9 | 15% | 0.153 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61 | -44.2 | 175.6 | -74 | -77.5 | -64.6 | 0 | 0 | 112.1 | R69 L70 C76 S77 L100 N103 F104 | R69-M73 WeakPolarHBondContact O-CB 3.29Å; R69-M73 WeakPolarHBondContact O-CG 3.36Å; R69-M73 PolarHBondContact O-N 2.93Å; L70-M73 WeakPolarHBondContact O-CB 3.48Å; L70-M73 PolarHBondContact O-N 3.23Å; M73-C76 PolarHBondContact O-N 2.83Å; M73-S77 WeakPolarHBondContact O-CB 3.23Å; M73-S77 PolarHBondContact O-N 3.05Å; M73-S77 PolarHBondContact O-OG 3.09Å; M73-L100 HydrophobicContact CB-CD1 4.18Å; M73-L100 HydrophobicContact CE-CD1 3.48Å; M73-L100 VanDerWaalsContact CE-CD1 3.48Å; M73-L100 HydrophobicContact CE-CG 3.77Å; M73-L100 HydrophobicContact CG-CD1 4.46Å; M73-L100 VanDerWaalsContact O-CD1 3.32Å; M73-L100 WeakPolarHBondContact O-CD1 3.38Å; M73-L100 HydrophobicContact SD-CB 4.5Å; M73-L100 HydrophobicContact SD-CD1 3.48Å; M73-L100 WeakPolarHBondContact SD-CD1 3.49Å; M73-L100 HydrophobicContact SD-CG 3.86Å; M73-N103 HydrophobicContact CG-CB 3.92Å; M73-N103 HydrophobicContact SD-CB 3.72Å; M73-F104 HydrophobicContact CE-CB 3.77Å; M73-F104 HydrophobicContact CE-CD2 3.86Å; M73-F104 HydrophobicContact CE-CG 4.29Å; M73-F104 HydrophobicContact SD-CB 3.9Å; M73-F104 PolarHBondContact SD-N 3.11Å; M73-F104 VanDerWaalsContact SD-N 3.4Å |
| 74 | T | 94.4 | Very high | 90.6 | Very high | 73 Ų | 73 | 37.5 Ų | 37.5 | 45% | 0.448 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 175.8 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | L70 L71 S77 L78 | L70-T74 PolarHBondContact O-N 2.9Å; L70-T74 PolarHBondContact O-OG1 2.98Å; L71-T74 PolarHBondContact O-N 3.46Å; T74-S77 PolarHBondContact O-N 2.82Å; T74-L78 HydrophobicContact CG2-CD1 4.11Å; T74-L78 VanDerWaalsContact O-CG 3.29Å; T74-L78 WeakPolarHBondContact O-CG 3.49Å; T74-L78 PolarHBondContact O-N 3.42Å |
| 75 | G | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.6 | -50.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | S50 L71 L72 S77 L78 F79 | S50-G75 WeakPolarHBondContact OG-CA 3.42Å; S50-G75 PolarHBondContact OG-N 3.41Å; L71-G75 PolarHBondContact O-N 3.5Å; L72-G75 PolarHBondContact O-N 3.1Å; G75-S77 VanDerWaalsContact C-N 3.29Å; G75-S77 PolarHBondContact O-N 2.96Å; G75-L78 PolarHBondContact O-N 3.29Å; G75-F79 WeakPolarHBondContact O-CD2 3Å; G75-F79 PolarHBondContact O-N 2.92Å |
| 76 | C | 92.9 | Very high | 89.6 | Confident | 9 Ų | 9 | 43 Ų | 43 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.7 | -40.4 | 176.3 | -68.8 | 0 | 0 | 0 | 0 | 111.9 | L72 M73 F79 I80 L100 | L72-C76 PolarHBondContact O-N 2.69Å; L72-C76 PolarHBondContact O-SG 2.97Å; L72-C76 VanDerWaalsContact O-SG 3.34Å; M73-C76 PolarHBondContact O-N 2.83Å; C76-F79 PolarHBondContact O-N 2.87Å; C76-I80 WeakPolarHBondContact O-CD1 3.27Å; C76-I80 WeakPolarHBondContact O-CG1 3.48Å; C76-I80 PolarHBondContact O-N 3.18Å; C76-L100 HydrophobicContact CB-CB 4.25Å; C76-L100 HydrophobicContact CB-CD1 3.98Å |
| 77 | S | 92.6 | Very high | 88.7 | Confident | 55 Ų | 55 | 46.7 Ų | 46.7 | 39% | 0.385 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.6 | -41 | 177.8 | -56.4 | 0 | 0 | 0 | 0 | 112.2 | M73 T74 G75 I80 A81 L100 | M73-S77 WeakPolarHBondContact O-CB 3.23Å; M73-S77 PolarHBondContact O-N 3.05Å; M73-S77 PolarHBondContact O-OG 3.09Å; T74-S77 PolarHBondContact O-N 2.82Å; G75-S77 VanDerWaalsContact C-N 3.29Å; G75-S77 PolarHBondContact O-N 2.96Å; S77-I80 PolarHBondContact O-N 3.4Å; S77-A81 WeakPolarHBondContact O-CB 3.5Å; S77-A81 PolarHBondContact O-N 3.26Å; S77-L100 WeakPolarHBondContact OG-CD1 3.24Å |
| 78 | L | 92.1 | Very high | 87.8 | Confident | 31 Ų | 31 | 46.7 Ų | 46.7 | 16% | 0.162 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.9 | -37.7 | 176.2 | -69.1 | 170.1 | 0 | 0 | 0 | 112.1 | L43 L46 T74 G75 A81 W82 | L43-L78 HydrophobicContact CD2-CD2 3.86Å; L46-L78 HydrophobicContact CB-CD1 4.17Å; L46-L78 HydrophobicContact CD2-CD1 4.02Å; L46-L78 HydrophobicContact CD2-CD2 4.2Å; L46-L78 HydrophobicContact CG-CD1 3.75Å; T74-L78 HydrophobicContact CG2-CD1 4.11Å; T74-L78 VanDerWaalsContact O-CG 3.29Å; T74-L78 WeakPolarHBondContact O-CG 3.49Å; T74-L78 PolarHBondContact O-N 3.42Å; G75-L78 PolarHBondContact O-N 3.29Å; L78-A81 PolarHBondContact O-N 3.09Å; L78-W82 WeakPolarHBondContact O-CB 3.33Å; L78-W82 PolarHBondContact O-N 3.46Å |
| 79 | F | 89.6 | Confident | 87.2 | Confident | 20 Ų | 20 | 48.4 Ų | 48.4 | 9% | 0.088 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.9 | -38 | 173.6 | -79.3 | -64.1 | 0 | 0 | 0 | 113 | F44 L51 G75 C76 W82 A83 N96 | F44-F79 HydrophobicContact CD2-CD1 4.19Å; F44-F79 AromaticContact CD2-CE1 3.54Å; F44-F79 HydrophobicContact CD2-CE1 3.54Å; F44-F79 HydrophobicContact CE2-CD1 4.49Å; F44-F79 AromaticContact CE2-CE1 3.64Å; F44-F79 HydrophobicContact CE2-CE1 3.64Å; F44-F79 HydrophobicContact CG-CE1 4.42Å; L51-F79 HydrophobicContact CD1-CD2 4.41Å; L51-F79 HydrophobicContact CD1-CE2 3.6Å; L51-F79 HydrophobicContact CD1-CZ 4.43Å; L51-F79 HydrophobicContact CG-CE2 4.25Å; G75-F79 WeakPolarHBondContact O-CD2 3Å; G75-F79 PolarHBondContact O-N 2.92Å; C76-F79 PolarHBondContact O-N 2.87Å; F79-W82 PolarHBondContact O-N 3.29Å; F79-A83 VanDerWaalsContact O-CB 3.26Å; F79-A83 WeakPolarHBondContact O-CB 3.38Å; F79-A83 PolarHBondContact O-N 2.85Å; F79-N96 HydrophobicContact CB-CB 4.48Å; F79-N96 WeakPolarHBondContact CB-OD1 3.48Å |
| 80 | I | 89.9 | Confident | 86.7 | Confident | 30 Ų | 30 | 51.8 Ų | 51.8 | 15% | 0.154 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.6 | -48.2 | 173.4 | -67.9 | 159.9 | 0 | 0 | 0 | 110 | C76 S77 W82 A83 T84 M93 N96 V97 L100 | C76-I80 WeakPolarHBondContact O-CD1 3.27Å; C76-I80 WeakPolarHBondContact O-CG1 3.48Å; C76-I80 PolarHBondContact O-N 3.18Å; S77-I80 PolarHBondContact O-N 3.4Å; I80-W82 VanDerWaalsContact C-N 3.3Å; I80-W82 PolarHBondContact O-N 3.48Å; I80-A83 PolarHBondContact O-N 3.03Å; I80-T84 HydrophobicContact CG2-CG2 4.28Å; I80-T84 WeakPolarHBondContact O-CB 3.43Å; I80-T84 WeakPolarHBondContact O-CG2 3.3Å; I80-T84 PolarHBondContact O-N 2.95Å; I80-T84 PolarHBondContact O-OG1 2.88Å; I80-M93 HydrophobicContact CG2-CG 4.34Å; I80-N96 HydrophobicContact CD1-CB 4.13Å; I80-N96 HydrophobicContact CG1-CB 3.57Å; I80-V97 HydrophobicContact CD1-CB 4.44Å; I80-V97 HydrophobicContact CD1-CG2 3.66Å; I80-V97 HydrophobicContact CG1-CG2 4.05Å; I80-L100 HydrophobicContact CD1-CD2 4.15Å |
| 81 | A | 88.7 | Confident | 86.5 | Confident | 32 Ų | 32 | 53 Ų | 53 | 26% | 0.264 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S77 L78 T84 L85 | S77-A81 WeakPolarHBondContact O-CB 3.5Å; S77-A81 PolarHBondContact O-N 3.26Å; L78-A81 PolarHBondContact O-N 3.09Å; A81-T84 WeakPolarHBondContact CA-OG1 3.05Å; A81-T84 PolarHBondContact O-OG1 3.42Å; A81-T84 VanDerWaalsContact O-OG1 3.14Å; A81-L85 VanDerWaalsContact O-CB 3.25Å; A81-L85 WeakPolarHBondContact O-CB 3.36Å; A81-L85 VanDerWaalsContact O-CG 3.26Å; A81-L85 WeakPolarHBondContact O-CG 3.34Å; A81-L85 PolarHBondContact O-N 3.28Å |
| 82 | W | 87.6 | Confident | 86.2 | Confident | 15 Ų | 15 | 53.5 Ų | 53.5 | 6% | 0.057 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.8 | -45.8 | 175.7 | 176.3 | 76.7 | 0 | 0 | 0 | 112.9 | V39 L43 F44 L78 F79 I80 T84 Y86 R87 | V39-W82 WeakPolarHBondContact O-CZ2 3.42Å; L43-W82 HydrophobicContact CB-CB 4.17Å; F44-W82 HydrophobicContact CB-CD2 4.48Å; F44-W82 HydrophobicContact CB-CG 4.41Å; F44-W82 HydrophobicContact CD2-CD2 4.3Å; F44-W82 HydrophobicContact CD2-CE3 4.39Å; F44-W82 HydrophobicContact CD2-CH2 4.16Å; F44-W82 HydrophobicContact CD2-CZ2 4.09Å; F44-W82 HydrophobicContact CD2-CZ3 4.34Å; F44-W82 HydrophobicContact CE2-CH2 4.46Å; L78-W82 WeakPolarHBondContact O-CB 3.33Å; L78-W82 PolarHBondContact O-N 3.46Å; F79-W82 PolarHBondContact O-N 3.29Å; I80-W82 VanDerWaalsContact C-N 3.3Å; I80-W82 PolarHBondContact O-N 3.48Å; W82-T84 VanDerWaalsContact C-N 3.34Å; W82-T84 PolarHBondContact O-N 2.72Å; W82-Y86 PolarHBondContact O-N 2.85Å; W82-Y86 VanDerWaalsContact O-N 3.09Å; W82-R87 VanDerWaalsContact CH2-NH1 3.25Å |
| 83 | A | 85.8 | Confident | 86 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | I | π-helix | trans | -66.5 | -35.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F79 I80 R87 C88 N89 V92 M93 | F79-A83 VanDerWaalsContact O-CB 3.26Å; F79-A83 WeakPolarHBondContact O-CB 3.38Å; F79-A83 PolarHBondContact O-N 2.85Å; I80-A83 PolarHBondContact O-N 3.03Å; A83-R87 CarbonylContact O-C 3.57Å; A83-C88 WeakPolarHBondContact O-CA 3.2Å; A83-C88 PolarHBondContact O-N 3.4Å; A83-N89 PolarHBondContact O-N 2.93Å; A83-V92 HydrophobicContact CB-CB 4.39Å; A83-V92 HydrophobicContact CB-CG1 4.13Å; A83-M93 HydrophobicContact CB-CB 4.33Å |
| 84 | T | 81.9 | Confident | 85.9 | Confident | 63 Ų | 63 | 56.6 Ų | 56.6 | 39% | 0.387 | 31% | 0.308 | S | S | . | . | I | π-helix | trans | -78.3 | -44.7 | 179.7 | 48.6 | 0 | 0 | 0 | 0 | 112.9 | I80 A81 W82 M93 | I80-T84 HydrophobicContact CG2-CG2 4.28Å; I80-T84 WeakPolarHBondContact O-CB 3.43Å; I80-T84 WeakPolarHBondContact O-CG2 3.3Å; I80-T84 PolarHBondContact O-N 2.95Å; I80-T84 PolarHBondContact O-OG1 2.88Å; A81-T84 WeakPolarHBondContact CA-OG1 3.05Å; A81-T84 PolarHBondContact O-OG1 3.42Å; A81-T84 VanDerWaalsContact O-OG1 3.14Å; W82-T84 VanDerWaalsContact C-N 3.34Å; W82-T84 PolarHBondContact O-N 2.72Å; T84-M93 HydrophobicContact CG2-CG 3.94Å; T84-M93 HydrophobicContact CG2-SD 3.44Å; T84-M93 WeakPolarHBondContact CG2-SD 3.39Å |
| 85 | L | 80 | Confident | 85.8 | Confident | 124 Ų | 124 | 59.8 Ų | 59.8 | 65% | 0.649 | 31% | 0.311 | S | S | * | . | I | π-helix | trans | -83.2 | -32.1 | -173.6 | -63.8 | 173.7 | 0 | 0 | 0 | 113.6 | A81 | A81-L85 VanDerWaalsContact O-CB 3.25Å; A81-L85 WeakPolarHBondContact O-CB 3.36Å; A81-L85 VanDerWaalsContact O-CG 3.26Å; A81-L85 WeakPolarHBondContact O-CG 3.34Å; A81-L85 PolarHBondContact O-N 3.28Å |
| 86 | Y | 74.3 | Confident | 85.7 | Confident | 95 Ų | 95 | 61 Ų | 61 | 37% | 0.373 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -118.3 | -30.8 | -168.2 | -59.4 | -88 | 0 | 0 | 0 | 114.5 | H41 L43 W82 | H41-Y86 AromaticContact CD2-CE1 3.59Å; H41-Y86 AromaticContact CD2-CZ 3.9Å; H41-Y86 AromaticContact CE1-CE1 3.89Å; H41-Y86 AromaticContact CE1-CE2 3.88Å; H41-Y86 AromaticContact CE1-CZ 3.39Å; H41-Y86 PolarHBondContact CE1-OH 3.02Å; H41-Y86 VanDerWaalsContact CE1-OH 3.22Å; H41-Y86 AromaticContact ND1-CE2 3.91Å; H41-Y86 AromaticContact ND1-CZ 3.82Å; H41-Y86 AromaticContact NE2-CE1 3.5Å; H41-Y86 WeakPolarHBondContact NE2-CE1 3.43Å; H41-Y86 AromaticContact NE2-CZ 3.46Å; H41-Y86 PolarHBondContact NE2-OH 3.19Å; L43-Y86 HydrophobicContact CD1-CD2 4.37Å; L43-Y86 HydrophobicContact CD1-CE2 3.58Å; W82-Y86 PolarHBondContact O-N 2.85Å; W82-Y86 VanDerWaalsContact O-N 3.09Å |
| 87 | R | 70.3 | Confident | 85.8 | Confident | 101 Ų | 101 | 63.5 Ų | 63.5 | 38% | 0.381 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -119.1 | -4.7 | -169.3 | -146.5 | 160.2 | -169.4 | 155.9 | 0.4 | 115.4 | W82 A83 N89 | W82-R87 VanDerWaalsContact CH2-NH1 3.25Å; A83-R87 CarbonylContact O-C 3.57Å; R87-N89 PolarHBondContact O-N 2.9Å |
| 88 | C | 71.8 | Confident | 86 | Confident | 73 Ų | 73 | 64.1 Ų | 64.1 | 49% | 0.493 | 33% | 0.334 | S | S | . | . | trans | 47.2 | 30.8 | 177.8 | -138.4 | 0 | 0 | 0 | 0 | 112.5 | C33 A83 | C33-C88 HydrophobicContact CB-CB 3.83Å; C33-C88 WeakPolarHBondContact CB-SG 3.36Å; C33-C88 WeakPolarHBondContact SG-CB 3.18Å; C33-C88 CovalentContact SG-SG 2.07Å; C33-C88 PolarHBondContact SG-SG 2.91Å; A83-C88 WeakPolarHBondContact O-CA 3.2Å; A83-C88 PolarHBondContact O-N 3.4Å | ||
| 89 | N | 79.5 | Confident | 86 | Confident | 64 Ų | 64 | 67.8 Ų | 67.8 | 34% | 0.342 | 35% | 0.349 | S | S | . | . | trans | -99.4 | 100.5 | -170.5 | -169.5 | -54.4 | 0 | 0 | 0 | 109.8 | A83 R87 D91 V92 M93 | A83-N89 PolarHBondContact O-N 2.93Å; R87-N89 PolarHBondContact O-N 2.9Å; N89-D91 VanDerWaalsContact C-N 3.35Å; N89-D91 PolarHBondContact O-N 2.63Å; N89-D91 PolarHBondContact OD1-N 3.48Å; N89-V92 HydrophobicContact CB-CB 4.48Å; N89-V92 PolarHBondContact OD1-N 2.82Å; N89-V92 VanDerWaalsContact OD1-N 3.11Å; N89-M93 WeakPolarHBondContact O-CB 3.41Å; N89-M93 PolarHBondContact O-N 3.33Å | ||
| 90 | L | 83 | Confident | 86.3 | Confident | 123 Ų | 123 | 68.6 Ų | 68.6 | 64% | 0.644 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.7 | -35.4 | -175.9 | -66.8 | 177.6 | 0 | 0 | 0 | 112.9 | M93 V94 | L90-M93 HydrophobicContact CD2-CE 3.66Å; L90-M93 HydrophobicContact CD2-SD 4.43Å; L90-M93 WeakPolarHBondContact O-CB 3.48Å; L90-M93 PolarHBondContact O-N 3Å; L90-V94 WeakPolarHBondContact O-CB 3.42Å; L90-V94 WeakPolarHBondContact O-CG2 3.46Å; L90-V94 PolarHBondContact O-N 3.13Å |
| 91 | D | 87.4 | Confident | 86.6 | Confident | 103 Ų | 103 | 71 Ų | 71 | 55% | 0.551 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.1 | -49.8 | -178.2 | -175.8 | 45.7 | 0 | 0 | 0 | 111.3 | N89 M93 V94 W95 | N89-D91 VanDerWaalsContact C-N 3.35Å; N89-D91 PolarHBondContact O-N 2.63Å; N89-D91 PolarHBondContact OD1-N 3.48Å; D91-M93 VanDerWaalsContact C-N 3.28Å; D91-M93 PolarHBondContact O-N 2.89Å; D91-V94 PolarHBondContact O-N 2.52Å; D91-W95 VanDerWaalsContact O-CD1 3.24Å; D91-W95 PolarHBondContact O-N 3.05Å; D91-W95 VanDerWaalsContact OD1-CD1 3.25Å; D91-W95 PolarHBondContact OD1-NE1 2.74Å; D91-W95 VanDerWaalsContact OD1-NE1 3.17Å |
| 92 | V | 87.2 | Confident | 86.9 | Confident | 46 Ų | 46 | 73.4 Ų | 73.4 | 28% | 0.279 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.7 | -39.4 | 175.7 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | A83 N89 N96 | A83-V92 HydrophobicContact CB-CB 4.39Å; A83-V92 HydrophobicContact CB-CG1 4.13Å; N89-V92 HydrophobicContact CB-CB 4.48Å; N89-V92 PolarHBondContact OD1-N 2.82Å; N89-V92 VanDerWaalsContact OD1-N 3.11Å; V92-N96 WeakPolarHBondContact O-CB 3.43Å; V92-N96 PolarHBondContact O-N 3.47Å; V92-N96 VanDerWaalsContact O-N 3.15Å; V92-N96 PolarHBondContact O-ND2 2.84Å |
| 93 | M | 89.1 | Confident | 87.2 | Confident | 53 Ų | 53 | 73.1 Ų | 73.1 | 26% | 0.261 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.9 | -50.6 | 176.3 | -177.9 | -169.5 | 74.8 | 0 | 0 | 111.4 | I80 A83 T84 N89 L90 D91 W95 N96 V97 | I80-M93 HydrophobicContact CG2-CG 4.34Å; A83-M93 HydrophobicContact CB-CB 4.33Å; T84-M93 HydrophobicContact CG2-CG 3.94Å; T84-M93 HydrophobicContact CG2-SD 3.44Å; T84-M93 WeakPolarHBondContact CG2-SD 3.39Å; N89-M93 WeakPolarHBondContact O-CB 3.41Å; N89-M93 PolarHBondContact O-N 3.33Å; L90-M93 HydrophobicContact CD2-CE 3.66Å; L90-M93 HydrophobicContact CD2-SD 4.43Å; L90-M93 WeakPolarHBondContact O-CB 3.48Å; L90-M93 PolarHBondContact O-N 3Å; D91-M93 VanDerWaalsContact C-N 3.28Å; D91-M93 PolarHBondContact O-N 2.89Å; M93-W95 PolarHBondContact O-N 2.74Å; M93-N96 PolarHBondContact O-N 2.9Å; M93-V97 WeakPolarHBondContact O-CG2 3.44Å; M93-V97 PolarHBondContact O-N 3.12Å |
| 94 | V | 92.1 | Very high | 87.6 | Confident | 78 Ų | 78 | 78.1 Ų | 78.1 | 47% | 0.473 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.6 | -48.5 | -177.8 | 169 | 0 | 0 | 0 | 0 | 110.7 | L90 D91 N96 V97 V98 | L90-V94 WeakPolarHBondContact O-CB 3.42Å; L90-V94 WeakPolarHBondContact O-CG2 3.46Å; L90-V94 PolarHBondContact O-N 3.13Å; D91-V94 PolarHBondContact O-N 2.52Å; V94-N96 PolarHBondContact O-N 2.97Å; V94-V97 PolarHBondContact O-N 2.79Å; V94-V98 WeakPolarHBondContact O-CG2 3.23Å; V94-V98 PolarHBondContact O-N 3.01Å |
| 95 | W | 93.1 | Very high | 88.2 | Confident | 139 Ų | 139 | 80.4 Ų | 80.4 | 53% | 0.527 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 179.2 | -79.2 | 110.4 | 0 | 0 | 0 | 112.8 | D91 M93 V97 V98 F99 | D91-W95 VanDerWaalsContact O-CD1 3.24Å; D91-W95 PolarHBondContact O-N 3.05Å; D91-W95 VanDerWaalsContact OD1-CD1 3.25Å; D91-W95 PolarHBondContact OD1-NE1 2.74Å; D91-W95 VanDerWaalsContact OD1-NE1 3.17Å; M93-W95 PolarHBondContact O-N 2.74Å; W95-V97 VanDerWaalsContact C-N 3.32Å; W95-V97 PolarHBondContact O-N 2.96Å; W95-V98 PolarHBondContact O-N 3.38Å; W95-F99 HydrophobicContact CB-CE2 4.42Å; W95-F99 HydrophobicContact CE3-CE2 4.39Å; W95-F99 WeakPolarHBondContact O-CD2 3.49Å; W95-F99 PolarHBondContact O-N 2.62Å |
| 96 | N | 91.4 | Very high | 88.8 | Confident | 25 Ų | 25 | 77.5 Ų | 77.5 | 13% | 0.134 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.2 | -32.8 | 177.8 | -79.4 | -80.3 | 0 | 0 | 0 | 112.5 | F79 I80 V92 M93 V94 F99 L100 | F79-N96 HydrophobicContact CB-CB 4.48Å; F79-N96 WeakPolarHBondContact CB-OD1 3.48Å; I80-N96 HydrophobicContact CD1-CB 4.13Å; I80-N96 HydrophobicContact CG1-CB 3.57Å; V92-N96 WeakPolarHBondContact O-CB 3.43Å; V92-N96 PolarHBondContact O-N 3.47Å; V92-N96 VanDerWaalsContact O-N 3.15Å; V92-N96 PolarHBondContact O-ND2 2.84Å; M93-N96 PolarHBondContact O-N 2.9Å; V94-N96 PolarHBondContact O-N 2.97Å; N96-F99 PolarHBondContact O-N 3.21Å; N96-L100 VanDerWaalsContact O-CB 3.32Å; N96-L100 WeakPolarHBondContact O-CB 3.23Å; N96-L100 PolarHBondContact O-N 3.42Å |
| 97 | V | 94.6 | Very high | 89.6 | Confident | 62 Ų | 62 | 73.9 Ų | 73.9 | 38% | 0.376 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.6 | -44 | 172.3 | 170 | 0 | 0 | 0 | 0 | 110.9 | I80 M93 V94 W95 F99 L100 V101 | I80-V97 HydrophobicContact CD1-CB 4.44Å; I80-V97 HydrophobicContact CD1-CG2 3.66Å; I80-V97 HydrophobicContact CG1-CG2 4.05Å; M93-V97 WeakPolarHBondContact O-CG2 3.44Å; M93-V97 PolarHBondContact O-N 3.12Å; V94-V97 PolarHBondContact O-N 2.79Å; W95-V97 VanDerWaalsContact C-N 3.32Å; W95-V97 PolarHBondContact O-N 2.96Å; V97-F99 PolarHBondContact O-N 3.37Å; V97-L100 WeakPolarHBondContact O-CB 3.45Å; V97-L100 PolarHBondContact O-N 3.24Å; V97-V101 WeakPolarHBondContact O-CG2 3.34Å; V97-V101 PolarHBondContact O-N 3.48Å |
| 98 | V | 96.1 | Very high | 90.6 | Very high | 68 Ų | 68 | 75 Ų | 75 | 41% | 0.412 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60 | -46.9 | 175.8 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | V94 W95 L100 V101 V102 | V94-V98 WeakPolarHBondContact O-CG2 3.23Å; V94-V98 PolarHBondContact O-N 3.01Å; W95-V98 PolarHBondContact O-N 3.38Å; V98-L100 VanDerWaalsContact C-N 3.31Å; V98-L100 PolarHBondContact O-N 3.43Å; V98-V101 PolarHBondContact O-N 2.94Å; V98-V102 WeakPolarHBondContact O-CG2 3.34Å; V98-V102 PolarHBondContact O-N 3.46Å |
| 99 | F | 93.3 | Very high | 91.4 | Very high | 108 Ų | 108 | 77.2 Ų | 77.2 | 47% | 0.474 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 176.3 | -72.5 | -57.1 | 0 | 0 | 0 | 112.7 | W95 N96 V97 N103 | W95-F99 HydrophobicContact CB-CE2 4.42Å; W95-F99 HydrophobicContact CE3-CE2 4.39Å; W95-F99 WeakPolarHBondContact O-CD2 3.49Å; W95-F99 PolarHBondContact O-N 2.62Å; N96-F99 PolarHBondContact O-N 3.21Å; V97-F99 PolarHBondContact O-N 3.37Å; F99-N103 WeakPolarHBondContact O-CB 3.4Å; F99-N103 PolarHBondContact O-N 3.18Å; F99-N103 PolarHBondContact O-ND2 3.34Å |
| 100 | L | 94.9 | Very high | 91.8 | Very high | 38 Ų | 38 | 75.4 Ų | 75.4 | 20% | 0.199 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.9 | -49.1 | 174.5 | -168.8 | 77.9 | 0 | 0 | 0 | 110.6 | M73 C76 S77 I80 N96 V97 V98 V102 N103 F104 | M73-L100 HydrophobicContact CB-CD1 4.18Å; M73-L100 HydrophobicContact CE-CD1 3.48Å; M73-L100 VanDerWaalsContact CE-CD1 3.48Å; M73-L100 HydrophobicContact CE-CG 3.77Å; M73-L100 HydrophobicContact CG-CD1 4.46Å; M73-L100 VanDerWaalsContact O-CD1 3.32Å; M73-L100 WeakPolarHBondContact O-CD1 3.38Å; M73-L100 HydrophobicContact SD-CB 4.5Å; M73-L100 HydrophobicContact SD-CD1 3.48Å; M73-L100 WeakPolarHBondContact SD-CD1 3.49Å; M73-L100 HydrophobicContact SD-CG 3.86Å; C76-L100 HydrophobicContact CB-CB 4.25Å; C76-L100 HydrophobicContact CB-CD1 3.98Å; S77-L100 WeakPolarHBondContact OG-CD1 3.24Å; I80-L100 HydrophobicContact CD1-CD2 4.15Å; N96-L100 VanDerWaalsContact O-CB 3.32Å; N96-L100 WeakPolarHBondContact O-CB 3.23Å; N96-L100 PolarHBondContact O-N 3.42Å; V97-L100 WeakPolarHBondContact O-CB 3.45Å; V97-L100 PolarHBondContact O-N 3.24Å; V98-L100 VanDerWaalsContact C-N 3.31Å; V98-L100 PolarHBondContact O-N 3.43Å; L100-V102 PolarHBondContact O-N 3.25Å; L100-N103 PolarHBondContact O-N 2.97Å; L100-F104 VanDerWaalsContact O-CB 3.27Å; L100-F104 WeakPolarHBondContact O-CB 3.32Å; L100-F104 PolarHBondContact O-N 3.4Å |
| 101 | V | 96.3 | Very high | 91.9 | Very high | 79 Ų | 79 | 73.3 Ų | 73.3 | 48% | 0.479 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 179.6 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | V97 V98 F104 M105 | V97-V101 WeakPolarHBondContact O-CG2 3.34Å; V97-V101 PolarHBondContact O-N 3.48Å; V98-V101 PolarHBondContact O-N 2.94Å; V101-F104 PolarHBondContact O-N 2.87Å; V101-M105 WeakPolarHBondContact O-CG 3.43Å; V101-M105 PolarHBondContact O-N 3Å |
| 102 | V | 95.6 | Very high | 91.5 | Very high | 84 Ų | 84 | 76.7 Ų | 76.7 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 178.6 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | V98 L100 F104 M105 H106 | V98-V102 WeakPolarHBondContact O-CG2 3.34Å; V98-V102 PolarHBondContact O-N 3.46Å; L100-V102 PolarHBondContact O-N 3.25Å; V102-F104 VanDerWaalsContact C-N 3.33Å; V102-F104 PolarHBondContact O-N 3.06Å; V102-M105 PolarHBondContact O-N 3.2Å; V102-H106 WeakPolarHBondContact O-CB 3.26Å; V102-H106 PolarHBondContact O-N 3.16Å |
| 103 | N | 93.3 | Very high | 90.9 | Very high | 8 Ų | 8 | 82.2 Ų | 82.2 | 4% | 0.043 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.4 | -34.4 | 178.1 | -78.9 | -73.5 | 0 | 0 | 0 | 112.1 | R69 M73 F99 L100 H106 L107 | R69-N103 WeakPolarHBondContact CD-OD1 3.35Å; R69-N103 PolarHBondContact NH1-OD1 3.01Å; M73-N103 HydrophobicContact CG-CB 3.92Å; M73-N103 HydrophobicContact SD-CB 3.72Å; F99-N103 WeakPolarHBondContact O-CB 3.4Å; F99-N103 PolarHBondContact O-N 3.18Å; F99-N103 PolarHBondContact O-ND2 3.34Å; L100-N103 PolarHBondContact O-N 2.97Å; N103-H106 PolarHBondContact O-N 2.78Å; N103-L107 VanDerWaalsContact O-CB 3.25Å; N103-L107 WeakPolarHBondContact O-CB 3.26Å; N103-L107 PolarHBondContact O-N 2.85Å |
| 104 | F | 94.6 | Very high | 89.9 | Confident | 106 Ų | 106 | 86.1 Ų | 86.1 | 47% | 0.465 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 174.1 | -177.1 | -98.5 | 0 | 0 | 0 | 111.7 | M73 L100 V101 V102 H106 L107 F108 | M73-F104 HydrophobicContact CE-CB 3.77Å; M73-F104 HydrophobicContact CE-CD2 3.86Å; M73-F104 HydrophobicContact CE-CG 4.29Å; M73-F104 HydrophobicContact SD-CB 3.9Å; M73-F104 PolarHBondContact SD-N 3.11Å; M73-F104 VanDerWaalsContact SD-N 3.4Å; L100-F104 VanDerWaalsContact O-CB 3.27Å; L100-F104 WeakPolarHBondContact O-CB 3.32Å; L100-F104 PolarHBondContact O-N 3.4Å; V101-F104 PolarHBondContact O-N 2.87Å; V102-F104 VanDerWaalsContact C-N 3.33Å; V102-F104 PolarHBondContact O-N 3.06Å; F104-H106 VanDerWaalsContact C-N 3.33Å; F104-H106 PolarHBondContact O-N 2.82Å; F104-L107 WeakPolarHBondContact O-CB 3.41Å; F104-L107 PolarHBondContact O-N 3.46Å; F104-F108 WeakPolarHBondContact O-CB 3.18Å; F104-F108 PolarHBondContact O-N 2.75Å |
| 105 | M | 94.3 | Very high | 88.4 | Confident | 112 Ų | 112 | 91.2 Ų | 91.2 | 55% | 0.552 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.4 | -42.5 | 176.7 | -70.8 | -61.8 | 151.7 | 0 | 0 | 111.6 | V101 V102 F108 F109 | V101-M105 WeakPolarHBondContact O-CG 3.43Å; V101-M105 PolarHBondContact O-N 3Å; V102-M105 PolarHBondContact O-N 3.2Å; M105-F108 PolarHBondContact O-N 2.55Å; M105-F109 WeakPolarHBondContact O-CB 3.22Å; M105-F109 PolarHBondContact O-N 3.35Å |
| 106 | H | 92.9 | Very high | 86.3 | Confident | 63 Ų | 63 | 88.9 Ų | 88.9 | 29% | 0.292 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.5 | -38.3 | 177.7 | -161.6 | 88 | 0 | 0 | 0 | 112.4 | R69 V102 N103 F104 F109 L110 | R69-H106 PolarHBondContact NE-CD2 2.89Å; R69-H106 PolarHBondContact NH2-CD2 3.32Å; R69-H106 PolarHBondContact NH2-NE2 3.37Å; V102-H106 WeakPolarHBondContact O-CB 3.26Å; V102-H106 PolarHBondContact O-N 3.16Å; N103-H106 PolarHBondContact O-N 2.78Å; F104-H106 VanDerWaalsContact C-N 3.33Å; F104-H106 PolarHBondContact O-N 2.82Å; H106-F109 PolarHBondContact O-N 3.42Å; H106-L110 VanDerWaalsContact CD2-CD1 3.48Å; H106-L110 WeakPolarHBondContact CD2-CD1 3.37Å; H106-L110 WeakPolarHBondContact O-CB 3.04Å; H106-L110 VanDerWaalsContact O-CG 3.28Å; H106-L110 WeakPolarHBondContact O-CG 3.46Å; H106-L110 PolarHBondContact O-N 3.09Å |
| 107 | L | 92 | Very high | 84.5 | Confident | 18 Ų | 18 | 94.1 Ų | 94.1 | 9% | 0.094 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 172.2 | 176.1 | 65.5 | 0 | 0 | 0 | 110.3 | I66 R69 L70 N103 F104 F109 L110 L111 | I66-L107 HydrophobicContact CG2-CD1 3.86Å; R69-L107 HydrophobicContact CB-CB 4.27Å; R69-L107 HydrophobicContact CB-CD1 4.33Å; L70-L107 HydrophobicContact CD2-CD1 4.39Å; L70-L107 HydrophobicContact CD2-CD2 3.67Å; L70-L107 HydrophobicContact CG-CD1 4.33Å; L70-L107 HydrophobicContact CG-CD2 4.42Å; N103-L107 VanDerWaalsContact O-CB 3.25Å; N103-L107 WeakPolarHBondContact O-CB 3.26Å; N103-L107 PolarHBondContact O-N 2.85Å; F104-L107 WeakPolarHBondContact O-CB 3.41Å; F104-L107 PolarHBondContact O-N 3.46Å; L107-F109 PolarHBondContact O-N 3.34Å; L107-L110 PolarHBondContact O-N 3.45Å; L107-L111 HydrophobicContact CD1-CD1 4.18Å; L107-L111 HydrophobicContact CD1-CG 4.22Å; L107-L111 HydrophobicContact CG-CD1 3.99Å; L107-L111 HydrophobicContact CG-CG 4.42Å; L107-L111 WeakPolarHBondContact O-CB 3.31Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.32Å; L107-L111 PolarHBondContact O-N 2.87Å |
| 108 | F | 90.3 | Very high | 82.3 | Confident | 125 Ų | 125 | 100.4 Ų | 100.4 | 55% | 0.548 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 177.9 | -174 | -98 | 0 | 0 | 0 | 111.9 | F104 M105 L111 Y112 | F104-F108 WeakPolarHBondContact O-CB 3.18Å; F104-F108 PolarHBondContact O-N 2.75Å; M105-F108 PolarHBondContact O-N 2.55Å; F108-L111 PolarHBondContact O-N 3.37Å; F108-Y112 WeakPolarHBondContact O-CB 3.47Å; F108-Y112 PolarHBondContact O-N 2.9Å |
| 109 | F | 89.2 | Confident | 80.5 | Confident | 119 Ų | 119 | 98.5 Ų | 98.5 | 52% | 0.522 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 174.7 | 175.7 | -98.3 | 0 | 0 | 0 | 112.4 | M105 H106 L107 Y112 K113 | M105-F109 WeakPolarHBondContact O-CB 3.22Å; M105-F109 PolarHBondContact O-N 3.35Å; H106-F109 PolarHBondContact O-N 3.42Å; L107-F109 PolarHBondContact O-N 3.34Å; F109-Y112 PolarHBondContact O-N 3.14Å; F109-K113 WeakPolarHBondContact O-CB 3.47Å; F109-K113 PolarHBondContact O-N 3.22Å |
| 110 | L | 86.9 | Confident | 79.3 | Confident | 26 Ų | 26 | 96.6 Ų | 96.6 | 14% | 0.136 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 176.5 | -73.7 | 175.7 | 0 | 0 | 0 | 111.4 | M65 R69 H106 L107 K113 R114 | M65-L110 HydrophobicContact CB-CD1 4.07Å; R69-L110 HydrophobicContact CG-CD1 4.19Å; H106-L110 VanDerWaalsContact CD2-CD1 3.48Å; H106-L110 WeakPolarHBondContact CD2-CD1 3.37Å; H106-L110 WeakPolarHBondContact O-CB 3.04Å; H106-L110 VanDerWaalsContact O-CG 3.28Å; H106-L110 WeakPolarHBondContact O-CG 3.46Å; H106-L110 PolarHBondContact O-N 3.09Å; L107-L110 PolarHBondContact O-N 3.45Å; L110-K113 PolarHBondContact O-N 3.42Å; L110-R114 WeakPolarHBondContact O-CB 3.25Å; L110-R114 WeakPolarHBondContact O-CG 3.15Å; L110-R114 PolarHBondContact O-N 3.15Å |
| 111 | L | 84.5 | Confident | 78.3 | Confident | 80 Ų | 80 | 104.9 Ų | 104.9 | 42% | 0.419 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 175.3 | -71.6 | 174.4 | 0 | 0 | 0 | 111.1 | I66 L107 F108 R114 R115 | I66-L111 HydrophobicContact CD1-CD2 4.24Å; L107-L111 HydrophobicContact CD1-CD1 4.18Å; L107-L111 HydrophobicContact CD1-CG 4.22Å; L107-L111 HydrophobicContact CG-CD1 3.99Å; L107-L111 HydrophobicContact CG-CG 4.42Å; L107-L111 WeakPolarHBondContact O-CB 3.31Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.32Å; L107-L111 PolarHBondContact O-N 2.87Å; F108-L111 PolarHBondContact O-N 3.37Å; L111-R114 CarbonylContact O-C 3.6Å; L111-R114 PolarHBondContact O-N 3.48Å; L111-R115 VanDerWaalsContact O-CG 3.31Å; L111-R115 WeakPolarHBondContact O-CG 3.25Å; L111-R115 PolarHBondContact O-N 3.35Å |
| 112 | Y | 80.1 | Confident | 77.4 | Confident | 173 Ų | 173 | 102.5 Ų | 102.5 | 68% | 0.678 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.7 | -45.5 | 176.8 | -172.8 | -97.1 | 0 | 0 | 0 | 111.7 | F108 F109 R114 R115 | F108-Y112 WeakPolarHBondContact O-CB 3.47Å; F108-Y112 PolarHBondContact O-N 2.9Å; F109-Y112 PolarHBondContact O-N 3.14Å; Y112-R114 VanDerWaalsContact C-N 3.33Å; Y112-R114 PolarHBondContact O-N 2.88Å; Y112-R115 WeakPolarHBondContact O-CB 3.06Å; Y112-R115 PolarHBondContact O-N 3.42Å |
| 113 | K | 74.5 | Confident | 76.9 | Confident | 163 Ų | 163 | 99 Ų | 99 | 71% | 0.709 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -67.9 | -31.9 | 176.1 | -170.7 | 176.4 | -179.4 | 178.8 | 0 | 112.8 | F109 L110 | F109-K113 WeakPolarHBondContact O-CB 3.47Å; F109-K113 PolarHBondContact O-N 3.22Å; L110-K113 PolarHBondContact O-N 3.42Å |
| 114 | R | 68 | Low | 76.5 | Confident | 135 Ų | 135 | 104.8 Ų | 104.8 | 51% | 0.509 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -87 | -10.6 | 179.8 | -74 | -85.8 | -172.5 | 137.9 | 4.6 | 113.6 | G62 I66 L110 L111 Y112 P116 | G62-R114 VanDerWaalsContact O-CZ 3.23Å; G62-R114 PolarHBondContact O-NH1 2.92Å; G62-R114 PolarHBondContact O-NH2 3.16Å; I66-R114 HydrophobicContact CD1-CG 4.41Å; L110-R114 WeakPolarHBondContact O-CB 3.25Å; L110-R114 WeakPolarHBondContact O-CG 3.15Å; L110-R114 PolarHBondContact O-N 3.15Å; L111-R114 CarbonylContact O-C 3.6Å; L111-R114 PolarHBondContact O-N 3.48Å; Y112-R114 VanDerWaalsContact C-N 3.33Å; Y112-R114 PolarHBondContact O-N 2.88Å; R114-P116 WeakPolarHBondContact O-CD 3.03Å |
| 115 | R | 59.8 | Low | 76.1 | Confident | 185 Ų | 185 | 101.8 Ų | 101.8 | 70% | 0.698 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -54.9 | 113.1 | 174.1 | -84.7 | -83.9 | -149.9 | 176.7 | 6.3 | 107.1 | L111 Y112 I117 | L111-R115 VanDerWaalsContact O-CG 3.31Å; L111-R115 WeakPolarHBondContact O-CG 3.25Å; L111-R115 PolarHBondContact O-N 3.35Å; Y112-R115 WeakPolarHBondContact O-CB 3.06Å; Y112-R115 PolarHBondContact O-N 3.42Å; R115-I117 PolarHBondContact O-N 3.28Å |
| 116 | P | 50 | Low | 75.9 | Confident | 90 Ų | 90 | 96.4 Ų | 96.4 | 58% | 0.584 | 43% | 0.431 | S | S | * | . | trans | -60.6 | 115.5 | 169 | 25.6 | -30.8 | 0 | 0 | 0 | 105.6 | R114 K118 | R114-P116 WeakPolarHBondContact O-CD 3.03Å; P116-K118 PolarHBondContact O-N 2.98Å | ||
| 117 | I | 52.5 | Low | 75.8 | Confident | 135 Ų | 135 | 94.8 Ų | 94.8 | 69% | 0.692 | 42% | 0.423 | S | S | * | . | trans | -53.7 | 115.3 | 166.8 | -61.9 | 169.9 | 0 | 0 | 0 | 103.7 | R115 I119 | R115-I117 PolarHBondContact O-N 3.28Å; I117-I119 PolarHBondContact O-N 3.23Å | ||
| 118 | K | 49.5 | Very low | 75.7 | Confident | 193 Ų | 193 | 100.4 Ų | 100.4 | 84% | 0.839 | 45% | 0.446 | S | S | * | . | trans | -53 | 103.6 | -169.1 | -70.2 | 177.5 | 178.8 | 177.9 | 0 | 108.1 | P116 D120 | P116-K118 PolarHBondContact O-N 2.98Å; K118-D120 PolarHBondContact O-N 3.42Å | ||
| 119 | I | 58.2 | Low | 75.7 | Confident | 29 Ų | 29 | 102.4 Ų | 102.4 | 15% | 0.149 | 45% | 0.45 | C | S | . | . | trans | -59.6 | 115.1 | 166.4 | -58.3 | -178.6 | 0 | 0 | 0 | 104.3 | I117 R121 L123 R124 E138 Q142 | I117-I119 PolarHBondContact O-N 3.23Å; I119-R121 PolarHBondContact O-N 3.48Å; I119-L123 HydrophobicContact CG2-CB 3.41Å; I119-L123 VanDerWaalsContact CG2-CB 3.41Å; I119-L123 HydrophobicContact CG2-CD2 4.49Å; I119-R124 HydrophobicContact CG2-CB 4.29Å; I119-E138 HydrophobicContact CD1-CG 4.25Å; I119-Q142 HydrophobicContact CD1-CG 3.48Å; I119-Q142 VanDerWaalsContact CD1-CG 3.48Å; I119-Q142 HydrophobicContact CG1-CG 3.81Å | ||
| 120 | D | 68 | Low | 75.7 | Confident | 67 Ų | 67 | 97.8 Ų | 97.8 | 36% | 0.358 | 43% | 0.431 | S | S | . | . | trans | -51.4 | 142.3 | 175.5 | -163.4 | -21.4 | 0 | 0 | 0 | 108.2 | K118 E122 L123 R124 I151 | K118-D120 PolarHBondContact O-N 3.42Å; D120-E122 PolarHBondContact O-N 2.94Å; D120-L123 HydrophobicContact CB-CD1 4.14Å; D120-L123 PolarHBondContact O-N 2.73Å; D120-R124 PolarHBondContact O-N 2.88Å; D120-R124 VanDerWaalsContact O-N 3.15Å; D120-I151 HydrophobicContact CB-CD1 4.38Å | ||
| 121 | R | 73.6 | Confident | 75.9 | Confident | 213 Ų | 213 | 96.6 Ų | 96.6 | 80% | 0.804 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -51.3 | -31.8 | -178.8 | -172.5 | 179.5 | 70.7 | 167 | 2.3 | 111.2 | I119 A125 | I119-R121 PolarHBondContact O-N 3.48Å; R121-A125 PolarHBondContact O-N 2.84Å |
| 122 | E | 77.8 | Confident | 76.2 | Confident | 29 Ų | 29 | 97.2 Ų | 97.2 | 14% | 0.136 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -68.2 | -41.8 | 176.8 | -60.3 | -179.6 | -174.4 | 0 | 0 | 112.9 | D120 R124 A125 V126 L176 K225 | D120-E122 PolarHBondContact O-N 2.94Å; E122-R124 VanDerWaalsContact C-N 3.34Å; E122-R124 PolarHBondContact O-N 3.26Å; E122-A125 WeakPolarHBondContact O-CB 3.39Å; E122-A125 PolarHBondContact O-N 3.33Å; E122-V126 PolarHBondContact O-N 3.44Å; E122-L176 HydrophobicContact CB-CB 4.26Å; E122-L176 HydrophobicContact CB-CD1 4.36Å; E122-K225 WeakPolarHBondContact OE1-CD 3.37Å; E122-K225 IonicContact OE1-NZ 3.54Å; E122-K225 PolarHBondContact OE1-NZ 2.83Å; E122-K225 WeakPolarHBondContact OE2-CD 3.49Å; E122-K225 IonicContact OE2-NZ 2.69Å |
| 123 | L | 84.2 | Confident | 76.8 | Confident | 9 Ų | 9 | 93 Ų | 93 | 5% | 0.047 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.8 | -34.9 | 176.1 | -90.2 | 69.6 | 0 | 0 | 0 | 111.9 | I119 D120 A125 V126 Y127 F141 T145 I151 L176 L227 | I119-L123 HydrophobicContact CG2-CB 3.41Å; I119-L123 VanDerWaalsContact CG2-CB 3.41Å; I119-L123 HydrophobicContact CG2-CD2 4.49Å; D120-L123 HydrophobicContact CB-CD1 4.14Å; D120-L123 PolarHBondContact O-N 2.73Å; L123-A125 PolarHBondContact O-N 3.5Å; L123-V126 PolarHBondContact O-N 3.24Å; L123-V126 VanDerWaalsContact O-N 3.16Å; L123-Y127 PolarHBondContact O-N 3.02Å; L123-F141 HydrophobicContact CB-CE1 4.47Å; L123-T145 HydrophobicContact CD2-CG2 3.91Å; L123-I151 HydrophobicContact CD1-CD1 3.53Å; L123-I151 HydrophobicContact CD1-CG1 4.18Å; L123-L176 HydrophobicContact CD1-CD1 3.68Å; L123-L176 HydrophobicContact CD1-CD2 4.31Å; L123-L227 HydrophobicContact CD1-CD1 4.14Å; L123-L227 HydrophobicContact CD2-CD1 4.17Å; L123-L227 HydrophobicContact CG-CD1 4.26Å |
| 124 | R | 85.1 | Confident | 77.5 | Confident | 131 Ų | 131 | 87.3 Ų | 87.3 | 49% | 0.494 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.9 | -37.3 | 175.6 | -177.9 | 176.6 | -71.6 | -87.3 | -10.4 | 111.5 | I119 D120 E122 Y127 K128 E138 | I119-R124 HydrophobicContact CG2-CB 4.29Å; D120-R124 PolarHBondContact O-N 2.88Å; D120-R124 VanDerWaalsContact O-N 3.15Å; E122-R124 VanDerWaalsContact C-N 3.34Å; E122-R124 PolarHBondContact O-N 3.26Å; R124-Y127 PolarHBondContact O-N 3.29Å; R124-K128 WeakPolarHBondContact O-CB 3.3Å; R124-K128 PolarHBondContact O-N 3.27Å; R124-E138 IonicContact NH2-OE1 3.37Å; R124-E138 PolarHBondContact NH2-OE1 3.4Å |
| 125 | A | 86.6 | Confident | 78.6 | Confident | 42 Ų | 42 | 88.7 Ų | 88.7 | 35% | 0.347 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67 | -37.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | R121 E122 L123 R129 N195 | R121-A125 PolarHBondContact O-N 2.84Å; E122-A125 WeakPolarHBondContact O-CB 3.39Å; E122-A125 PolarHBondContact O-N 3.33Å; L123-A125 PolarHBondContact O-N 3.5Å; A125-R129 WeakPolarHBondContact O-CG 3.5Å; A125-R129 PolarHBondContact O-N 3.22Å; A125-N195 PolarHBondContact O-ND2 3.03Å |
| 126 | V | 90.2 | Very high | 80 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.5 | -47.8 | 174.6 | 172.1 | 0 | 0 | 0 | 0 | 111 | E122 L123 K128 R129 M130 F131 I174 L176 | E122-V126 PolarHBondContact O-N 3.44Å; L123-V126 PolarHBondContact O-N 3.24Å; L123-V126 VanDerWaalsContact O-N 3.16Å; V126-K128 PolarHBondContact O-N 3.43Å; V126-R129 PolarHBondContact O-N 3.27Å; V126-M130 HydrophobicContact CG1-CG 4.46Å; V126-M130 HydrophobicContact CG1-SD 3.83Å; V126-M130 WeakPolarHBondContact O-CB 3.46Å; V126-M130 PolarHBondContact O-N 2.87Å; V126-F131 HydrophobicContact CG1-CD2 4.24Å; V126-F131 HydrophobicContact CG1-CE2 3.91Å; V126-I174 HydrophobicContact CG1-CG2 4.36Å; V126-I174 HydrophobicContact CG2-CG2 4.38Å; V126-L176 HydrophobicContact CG2-CD2 3.51Å |
| 127 | Y | 90.3 | Very high | 81.8 | Confident | 29 Ų | 29 | 82.6 Ų | 82.6 | 11% | 0.114 | 38% | 0.38 | C | S | . | . | I | π-helix | trans | -52.9 | -53.4 | 175.9 | 173.7 | -104.2 | 0 | 0 | 0 | 111.4 | L123 R124 R129 F131 E132 V136 E138 F141 | L123-Y127 PolarHBondContact O-N 3.02Å; R124-Y127 PolarHBondContact O-N 3.29Å; Y127-R129 VanDerWaalsContact C-N 3.3Å; Y127-R129 PolarHBondContact O-N 3.38Å; Y127-F131 HydrophobicContact CD2-CB 3.78Å; Y127-F131 HydrophobicContact CE2-CB 4.23Å; Y127-F131 PolarHBondContact O-N 3.02Å; Y127-E132 HydrophobicContact CE1-CB 4.19Å; Y127-E132 PolarHBondContact O-N 3.11Å; Y127-V136 WeakPolarHBondContact CE2-O 3.39Å; Y127-V136 PolarHBondContact OH-O 3.41Å; Y127-E138 HydrophobicContact CE1-CB 4.34Å; Y127-E138 HydrophobicContact CE1-CG 4.37Å; Y127-E138 HydrophobicContact CE2-CB 4.42Å; Y127-E138 WeakPolarHBondContact OH-CA 3.3Å; Y127-E138 PolarHBondContact OH-N 2.77Å; Y127-E138 VanDerWaalsContact OH-N 3.13Å; Y127-F141 HydrophobicContact CD2-CB 3.67Å; Y127-F141 AromaticContact CD2-CD1 3.68Å; Y127-F141 HydrophobicContact CD2-CD1 3.68Å; Y127-F141 HydrophobicContact CD2-CD2 4.09Å; Y127-F141 HydrophobicContact CD2-CE1 4.35Å; Y127-F141 AromaticContact CD2-CG 3.53Å; Y127-F141 HydrophobicContact CD2-CG 3.53Å; Y127-F141 HydrophobicContact CE2-CB 3.9Å; Y127-F141 HydrophobicContact CE2-CG 4.28Å; Y127-F141 HydrophobicContact CG-CD1 4.04Å; Y127-F141 HydrophobicContact CG-CE1 4.38Å; Y127-F141 HydrophobicContact CG-CG 4.33Å |
| 128 | K | 89.9 | Confident | 83.3 | Confident | 136 Ų | 136 | 79.5 Ų | 79.5 | 59% | 0.591 | 36% | 0.362 | S | S | * | . | I | π-helix | trans | -59.7 | -36.4 | -177.4 | -154.4 | -174.9 | 180 | 172.2 | 0 | 113.4 | R124 V126 E132 | R124-K128 WeakPolarHBondContact O-CB 3.3Å; R124-K128 PolarHBondContact O-N 3.27Å; V126-K128 PolarHBondContact O-N 3.43Å; K128-E132 WeakPolarHBondContact CG-OE2 3.35Å |
| 129 | R | 89.8 | Confident | 84.9 | Confident | 167 Ų | 167 | 73.1 Ų | 73.1 | 63% | 0.63 | 35% | 0.346 | S | S | * | . | I | π-helix | trans | -90.2 | -32.7 | -176.4 | -67 | -157.5 | -166.9 | 135.5 | -11.4 | 114.2 | A125 V126 Y127 N195 | A125-R129 WeakPolarHBondContact O-CG 3.5Å; A125-R129 PolarHBondContact O-N 3.22Å; V126-R129 PolarHBondContact O-N 3.27Å; Y127-R129 VanDerWaalsContact C-N 3.3Å; Y127-R129 PolarHBondContact O-N 3.38Å; R129-N195 VanDerWaalsContact CD-ND2 3.32Å; R129-N195 WeakPolarHBondContact CD-ND2 3.4Å; R129-N195 PolarHBondContact NH1-ND2 3.5Å; R129-N195 VanDerWaalsContact NH1-ND2 3.18Å |
| 130 | M | 90.6 | Very high | 86.2 | Confident | 22 Ų | 22 | 72.7 Ų | 72.7 | 11% | 0.108 | 34% | 0.343 | C | S | . | . | I | π-helix | trans | -107.3 | -40.3 | -171.7 | -62.4 | -178.1 | 70.5 | 0 | 0 | 113.2 | V126 L134 I174 N195 F197 L251 | V126-M130 HydrophobicContact CG1-CG 4.46Å; V126-M130 HydrophobicContact CG1-SD 3.83Å; V126-M130 WeakPolarHBondContact O-CB 3.46Å; V126-M130 PolarHBondContact O-N 2.87Å; M130-L134 WeakPolarHBondContact O-CD1 3.42Å; M130-I174 HydrophobicContact CE-CD1 4.39Å; M130-I174 HydrophobicContact SD-CD1 4.47Å; M130-I174 HydrophobicContact SD-CG2 4.42Å; M130-N195 HydrophobicContact SD-CB 4.31Å; M130-N195 VanDerWaalsContact SD-O 3.36Å; M130-F197 HydrophobicContact CE-CD2 4.06Å; M130-F197 HydrophobicContact CE-CE2 3.51Å; M130-F197 HydrophobicContact CE-CZ 4.25Å; M130-L251 HydrophobicContact CB-CD2 4.32Å; M130-L251 HydrophobicContact CE-CD2 4.23Å |
| 131 | F | 91.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -103.6 | -37.9 | -167.7 | -67.8 | -88 | 0 | 0 | 0 | 112.8 | V126 Y127 L134 H135 V136 F141 V247 F248 L251 | V126-F131 HydrophobicContact CG1-CD2 4.24Å; V126-F131 HydrophobicContact CG1-CE2 3.91Å; Y127-F131 HydrophobicContact CD2-CB 3.78Å; Y127-F131 HydrophobicContact CE2-CB 4.23Å; Y127-F131 PolarHBondContact O-N 3.02Å; F131-L134 PolarHBondContact O-N 2.98Å; F131-L134 VanDerWaalsContact O-N 3.13Å; F131-H135 PolarHBondContact O-N 3.39Å; F131-V136 HydrophobicContact CB-CB 4.05Å; F131-V136 HydrophobicContact CB-CG1 4.45Å; F131-V136 HydrophobicContact CB-CG2 4.31Å; F131-V136 HydrophobicContact CD1-CB 4.5Å; F131-V136 HydrophobicContact CD1-CG1 4.41Å; F131-V136 HydrophobicContact CD1-CG2 4.18Å; F131-V136 PolarHBondContact O-N 3.03Å; F131-F141 HydrophobicContact CB-CD2 4.4Å; F131-F141 HydrophobicContact CD1-CD2 4.09Å; F131-F141 HydrophobicContact CD1-CE2 4.43Å; F131-F141 AromaticContact CD2-CD2 3.86Å; F131-F141 HydrophobicContact CD2-CD2 3.86Å; F131-F141 AromaticContact CD2-CE2 3.51Å; F131-F141 HydrophobicContact CD2-CE2 3.51Å; F131-F141 HydrophobicContact CD2-CZ 4.39Å; F131-F141 HydrophobicContact CE1-CD2 4.33Å; F131-F141 HydrophobicContact CE1-CE2 4.42Å; F131-F141 HydrophobicContact CE2-CD2 4.12Å; F131-F141 AromaticContact CE2-CE2 3.51Å; F131-F141 HydrophobicContact CE2-CE2 3.51Å; F131-F141 HydrophobicContact CE2-CZ 4.45Å; F131-F141 AromaticContact CG-CD2 3.84Å; F131-F141 HydrophobicContact CG-CD2 3.84Å; F131-F141 HydrophobicContact CG-CE2 4.01Å; F131-F141 HydrophobicContact CZ-CD2 4.34Å; F131-F141 AromaticContact CZ-CE2 3.98Å; F131-F141 HydrophobicContact CZ-CE2 3.98Å; F131-V247 HydrophobicContact CD1-CG1 4.41Å; F131-F248 HydrophobicContact CE1-CD2 4.42Å; F131-F248 AromaticContact CE1-CE2 3.75Å; F131-F248 HydrophobicContact CE1-CE2 3.75Å; F131-F248 HydrophobicContact CE1-CZ 4.22Å; F131-F248 HydrophobicContact CZ-CE2 4.19Å; F131-F248 HydrophobicContact CZ-CZ 4.19Å; F131-L251 HydrophobicContact CD1-CD1 4.1Å; F131-L251 HydrophobicContact CE1-CD1 3.67Å; F131-L251 HydrophobicContact CE2-CD1 4.48Å; F131-L251 HydrophobicContact CZ-CD1 3.89Å |
| 132 | E | 90.7 | Very high | 87.7 | Confident | 94 Ų | 94 | 62.3 Ų | 62.3 | 44% | 0.439 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -59.6 | -43.6 | 177.5 | -178 | 180 | -136.7 | 0 | 0 | 112.9 | Y127 K128 L134 H135 | Y127-E132 HydrophobicContact CE1-CB 4.19Å; Y127-E132 PolarHBondContact O-N 3.11Å; K128-E132 WeakPolarHBondContact CG-OE2 3.35Å; E132-L134 PolarHBondContact O-N 2.91Å; E132-L134 VanDerWaalsContact O-N 3.12Å; E132-H135 PolarHBondContact O-N 3.38Å |
| 133 | P | 91.6 | Very high | 88 | Confident | 83 Ų | 83 | 67.8 Ų | 67.8 | 54% | 0.539 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -63.9 | -19.4 | 176.8 | -22.5 | 35.2 | 0 | 0 | 0 | 114 | ||
| 134 | L | 91 | Very high | 88 | Confident | 44 Ų | 44 | 67.4 Ų | 67.4 | 23% | 0.23 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -96.1 | 11.4 | 178.6 | -62 | 175.2 | 0 | 0 | 0 | 112.3 | M130 F131 E132 V136 F243 V247 Y250 L251 | M130-L134 WeakPolarHBondContact O-CD1 3.42Å; F131-L134 PolarHBondContact O-N 2.98Å; F131-L134 VanDerWaalsContact O-N 3.13Å; E132-L134 PolarHBondContact O-N 2.91Å; E132-L134 VanDerWaalsContact O-N 3.12Å; L134-V136 HydrophobicContact CB-CG2 4.4Å; L134-V136 PolarHBondContact O-N 2.95Å; L134-F243 WeakPolarHBondContact O-CZ 3.4Å; L134-V247 HydrophobicContact CB-CG1 4.39Å; L134-V247 HydrophobicContact CB-CG2 4.34Å; L134-V247 HydrophobicContact CD1-CG1 3.75Å; L134-Y250 HydrophobicContact CD1-CD1 3.7Å; L134-Y250 HydrophobicContact CD1-CE1 3.96Å; L134-Y250 HydrophobicContact CD2-CD1 3.98Å; L134-Y250 HydrophobicContact CD2-CE1 3.78Å; L134-Y250 HydrophobicContact CG-CE1 4.46Å; L134-L251 HydrophobicContact CD1-CD1 4.23Å; L134-L251 HydrophobicContact CD1-CD2 3.67Å; L134-L251 HydrophobicContact CD1-CG 3.78Å |
| 135 | H | 90.1 | Very high | 88 | Confident | 164 Ų | 164 | 62 Ų | 62 | 76% | 0.759 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 26.4 | 178.6 | -58 | 74.8 | 0 | 0 | 0 | 114.3 | F131 E132 Q137 | F131-H135 PolarHBondContact O-N 3.39Å; E132-H135 PolarHBondContact O-N 3.38Å; H135-Q137 PolarHBondContact O-N 2.77Å |
| 136 | V | 90.1 | Very high | 87.5 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | trans | -72.7 | 122.9 | 172.9 | 179.6 | 0 | 0 | 0 | 0 | 109.4 | Y127 F131 L134 L140 F141 F243 L244 V247 | Y127-V136 WeakPolarHBondContact CE2-O 3.39Å; Y127-V136 PolarHBondContact OH-O 3.41Å; F131-V136 HydrophobicContact CB-CB 4.05Å; F131-V136 HydrophobicContact CB-CG1 4.45Å; F131-V136 HydrophobicContact CB-CG2 4.31Å; F131-V136 HydrophobicContact CD1-CB 4.5Å; F131-V136 HydrophobicContact CD1-CG1 4.41Å; F131-V136 HydrophobicContact CD1-CG2 4.18Å; F131-V136 PolarHBondContact O-N 3.03Å; L134-V136 HydrophobicContact CB-CG2 4.4Å; L134-V136 PolarHBondContact O-N 2.95Å; V136-L140 HydrophobicContact CG1-CB 4.48Å; V136-L140 HydrophobicContact CG1-CD2 4.34Å; V136-F141 HydrophobicContact CG1-CB 4.4Å; V136-F243 HydrophobicContact CB-CE1 4.44Å; V136-F243 HydrophobicContact CG2-CE1 3.9Å; V136-F243 HydrophobicContact CG2-CZ 4.18Å; V136-L244 HydrophobicContact CG1-CD1 4.26Å; V136-V247 HydrophobicContact CG2-CB 4.46Å; V136-V247 HydrophobicContact CG2-CG1 3.88Å; V136-V247 HydrophobicContact CG2-CG2 4.06Å | ||
| 137 | Q | 86.7 | Confident | 86.4 | Confident | 145 Ų | 145 | 67.6 Ų | 67.6 | 68% | 0.678 | 33% | 0.332 | S | S | * | . | trans | -64 | 140.5 | 177.7 | -67.4 | -175.7 | -14.1 | 0 | 0 | 111.8 | H135 A139 L140 F141 | H135-Q137 PolarHBondContact O-N 2.77Å; Q137-A139 PolarHBondContact O-N 2.88Å; Q137-L140 HydrophobicContact CB-CB 4.44Å; Q137-L140 WeakPolarHBondContact O-CB 2.94Å; Q137-L140 PolarHBondContact O-N 2.79Å; Q137-F141 PolarHBondContact O-N 2.89Å; Q137-F141 VanDerWaalsContact O-N 3.12Å | ||
| 138 | E | 85.3 | Confident | 85.6 | Confident | 70 Ų | 70 | 68.9 Ų | 68.9 | 33% | 0.327 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.4 | -37.4 | 179.9 | -168.5 | 177 | 175 | 0 | 0 | 111.6 | I119 R124 Y127 L140 F141 Q142 | I119-E138 HydrophobicContact CD1-CG 4.25Å; R124-E138 IonicContact NH2-OE1 3.37Å; R124-E138 PolarHBondContact NH2-OE1 3.4Å; Y127-E138 HydrophobicContact CE1-CB 4.34Å; Y127-E138 HydrophobicContact CE1-CG 4.37Å; Y127-E138 HydrophobicContact CE2-CB 4.42Å; Y127-E138 WeakPolarHBondContact OH-CA 3.3Å; Y127-E138 PolarHBondContact OH-N 2.77Å; Y127-E138 VanDerWaalsContact OH-N 3.13Å; E138-L140 VanDerWaalsContact C-N 3.33Å; E138-L140 PolarHBondContact O-N 2.97Å; E138-F141 PolarHBondContact O-N 3.4Å; E138-Q142 HydrophobicContact CG-CG 4.5Å; E138-Q142 WeakPolarHBondContact O-CB 3.48Å; E138-Q142 VanDerWaalsContact O-CG 3.25Å; E138-Q142 WeakPolarHBondContact O-CG 3.47Å; E138-Q142 PolarHBondContact O-N 3.38Å |
| 139 | A | 82.9 | Confident | 85.2 | Confident | 59 Ų | 59 | 63.7 Ų | 63.7 | 49% | 0.488 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.4 | -37.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q137 R143 | Q137-A139 PolarHBondContact O-N 2.88Å; A139-R143 WeakPolarHBondContact O-CG 3.31Å; A139-R143 PolarHBondContact O-N 2.96Å |
| 140 | L | 84.9 | Confident | 84.9 | Confident | 19 Ų | 19 | 59.4 Ų | 59.4 | 10% | 0.099 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.1 | -44.2 | 178.1 | -174.6 | 63 | 0 | 0 | 0 | 110.8 | V136 Q137 E138 Q142 R143 L144 F237 D241 F243 L244 | V136-L140 HydrophobicContact CG1-CB 4.48Å; V136-L140 HydrophobicContact CG1-CD2 4.34Å; Q137-L140 HydrophobicContact CB-CB 4.44Å; Q137-L140 WeakPolarHBondContact O-CB 2.94Å; Q137-L140 PolarHBondContact O-N 2.79Å; E138-L140 VanDerWaalsContact C-N 3.33Å; E138-L140 PolarHBondContact O-N 2.97Å; L140-Q142 VanDerWaalsContact C-N 3.3Å; L140-Q142 PolarHBondContact O-N 3.23Å; L140-R143 PolarHBondContact O-N 3.38Å; L140-L144 PolarHBondContact O-N 2.93Å; L140-F237 HydrophobicContact CD1-CZ 4.24Å; L140-D241 VanDerWaalsContact CD1-OD2 3.32Å; L140-D241 WeakPolarHBondContact CD1-OD2 3.43Å; L140-D241 WeakPolarHBondContact CD2-OD2 3.42Å; L140-F243 HydrophobicContact CD2-CD1 4.3Å; L140-L244 HydrophobicContact CD2-CB 4.26Å; L140-L244 HydrophobicContact CD2-CD1 4.23Å; L140-L244 HydrophobicContact CD2-CD2 4.45Å; L140-L244 HydrophobicContact CG-CD2 4.35Å |
| 141 | F | 87.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.1 | -37.7 | 174.4 | -177.3 | -100.9 | 0 | 0 | 0 | 112.3 | L123 Y127 F131 V136 Q137 E138 L144 T145 | L123-F141 HydrophobicContact CB-CE1 4.47Å; Y127-F141 HydrophobicContact CD2-CB 3.67Å; Y127-F141 AromaticContact CD2-CD1 3.68Å; Y127-F141 HydrophobicContact CD2-CD1 3.68Å; Y127-F141 HydrophobicContact CD2-CD2 4.09Å; Y127-F141 HydrophobicContact CD2-CE1 4.35Å; Y127-F141 AromaticContact CD2-CG 3.53Å; Y127-F141 HydrophobicContact CD2-CG 3.53Å; Y127-F141 HydrophobicContact CE2-CB 3.9Å; Y127-F141 HydrophobicContact CE2-CG 4.28Å; Y127-F141 HydrophobicContact CG-CD1 4.04Å; Y127-F141 HydrophobicContact CG-CE1 4.38Å; Y127-F141 HydrophobicContact CG-CG 4.33Å; F131-F141 HydrophobicContact CB-CD2 4.4Å; F131-F141 HydrophobicContact CD1-CD2 4.09Å; F131-F141 HydrophobicContact CD1-CE2 4.43Å; F131-F141 AromaticContact CD2-CD2 3.86Å; F131-F141 HydrophobicContact CD2-CD2 3.86Å; F131-F141 AromaticContact CD2-CE2 3.51Å; F131-F141 HydrophobicContact CD2-CE2 3.51Å; F131-F141 HydrophobicContact CD2-CZ 4.39Å; F131-F141 HydrophobicContact CE1-CD2 4.33Å; F131-F141 HydrophobicContact CE1-CE2 4.42Å; F131-F141 HydrophobicContact CE2-CD2 4.12Å; F131-F141 AromaticContact CE2-CE2 3.51Å; F131-F141 HydrophobicContact CE2-CE2 3.51Å; F131-F141 HydrophobicContact CE2-CZ 4.45Å; F131-F141 AromaticContact CG-CD2 3.84Å; F131-F141 HydrophobicContact CG-CD2 3.84Å; F131-F141 HydrophobicContact CG-CE2 4.01Å; F131-F141 HydrophobicContact CZ-CD2 4.34Å; F131-F141 AromaticContact CZ-CE2 3.98Å; F131-F141 HydrophobicContact CZ-CE2 3.98Å; V136-F141 HydrophobicContact CG1-CB 4.4Å; Q137-F141 PolarHBondContact O-N 2.89Å; Q137-F141 VanDerWaalsContact O-N 3.12Å; E138-F141 PolarHBondContact O-N 3.4Å; F141-L144 HydrophobicContact CD2-CD2 4.36Å; F141-L144 PolarHBondContact O-N 3.5Å; F141-T145 HydrophobicContact CD1-CG2 4.38Å; F141-T145 HydrophobicContact CD2-CG2 4.4Å; F141-T145 HydrophobicContact CE1-CG2 3.9Å; F141-T145 HydrophobicContact CE2-CG2 3.92Å; F141-T145 HydrophobicContact CZ-CG2 3.65Å; F141-T145 PolarHBondContact O-N 3.47Å; F141-T145 PolarHBondContact O-OG1 3.5Å |
| 142 | Q | 84.4 | Confident | 84.7 | Confident | 62 Ų | 62 | 65.6 Ų | 65.6 | 29% | 0.29 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 173.4 | -77.5 | 179.1 | 15.2 | 0 | 0 | 112.3 | I119 E138 L140 G146 | I119-Q142 HydrophobicContact CD1-CG 3.48Å; I119-Q142 VanDerWaalsContact CD1-CG 3.48Å; I119-Q142 HydrophobicContact CG1-CG 3.81Å; E138-Q142 HydrophobicContact CG-CG 4.5Å; E138-Q142 WeakPolarHBondContact O-CB 3.48Å; E138-Q142 VanDerWaalsContact O-CG 3.25Å; E138-Q142 WeakPolarHBondContact O-CG 3.47Å; E138-Q142 PolarHBondContact O-N 3.38Å; L140-Q142 VanDerWaalsContact C-N 3.3Å; L140-Q142 PolarHBondContact O-N 3.23Å; Q142-G146 WeakPolarHBondContact O-CA 3.2Å; Q142-G146 PolarHBondContact O-N 3.48Å |
| 143 | R | 84.4 | Confident | 84.8 | Confident | 144 Ų | 144 | 65.9 Ų | 65.9 | 54% | 0.543 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 175.4 | -73.7 | 175.3 | 66.3 | -162.9 | -2 | 111.5 | A139 L140 T145 G146 Q147 F237 | A139-R143 WeakPolarHBondContact O-CG 3.31Å; A139-R143 PolarHBondContact O-N 2.96Å; L140-R143 PolarHBondContact O-N 3.38Å; R143-T145 PolarHBondContact O-N 3.45Å; R143-G146 PolarHBondContact O-N 2.87Å; R143-Q147 PolarHBondContact O-N 3.36Å; R143-F237 HydrophobicContact CB-CZ 4.2Å |
| 144 | L | 85.1 | Confident | 84.9 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58 | -44.6 | 177.7 | 174.6 | 70.9 | 0 | 0 | 0 | 112.5 | L140 F141 W229 L234 F237 L244 F248 | L140-L144 PolarHBondContact O-N 2.93Å; F141-L144 HydrophobicContact CD2-CD2 4.36Å; F141-L144 PolarHBondContact O-N 3.5Å; L144-W229 HydrophobicContact CD2-CZ2 4.12Å; L144-W229 HydrophobicContact CG-CZ2 4.25Å; L144-W229 PolarHBondContact O-NE1 2.86Å; L144-L234 HydrophobicContact CD1-CD1 3.67Å; L144-F237 HydrophobicContact CB-CE1 3.92Å; L144-F237 HydrophobicContact CB-CZ 4.49Å; L144-F237 HydrophobicContact CD1-CD1 3.66Å; L144-F237 HydrophobicContact CD1-CE1 3.85Å; L144-F237 HydrophobicContact CG-CE1 4.5Å; L144-L244 HydrophobicContact CD1-CD2 4.26Å; L144-L244 HydrophobicContact CD2-CD2 4.34Å; L144-F248 HydrophobicContact CD1-CZ 4.46Å; L144-F248 HydrophobicContact CD2-CE2 3.64Å; L144-F248 HydrophobicContact CD2-CZ 3.75Å |
| 145 | T | 84.4 | Confident | 85.1 | Confident | 17 Ų | 17 | 67.7 Ų | 67.7 | 10% | 0.104 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -85.8 | -22.8 | -177.7 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | L123 F141 R143 C149 L227 W229 | L123-T145 HydrophobicContact CD2-CG2 3.91Å; F141-T145 HydrophobicContact CD1-CG2 4.38Å; F141-T145 HydrophobicContact CD2-CG2 4.4Å; F141-T145 HydrophobicContact CE1-CG2 3.9Å; F141-T145 HydrophobicContact CE2-CG2 3.92Å; F141-T145 HydrophobicContact CZ-CG2 3.65Å; F141-T145 PolarHBondContact O-N 3.47Å; F141-T145 PolarHBondContact O-OG1 3.5Å; R143-T145 PolarHBondContact O-N 3.45Å; T145-C149 WeakPolarHBondContact O-CB 3.3Å; T145-L227 HydrophobicContact CG2-CD2 4.26Å; T145-W229 HydrophobicContact CG2-CZ2 4.19Å |
| 146 | G | 76.5 | Confident | 85.4 | Confident | 46 Ų | 46 | 67.2 Ų | 67.2 | 47% | 0.474 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -83.6 | -32 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q142 R143 | Q142-G146 WeakPolarHBondContact O-CA 3.2Å; Q142-G146 PolarHBondContact O-N 3.48Å; R143-G146 PolarHBondContact O-N 2.87Å |
| 147 | Q | 67.9 | Low | 85.5 | Confident | 115 Ų | 115 | 69.8 Ų | 69.8 | 54% | 0.537 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -98.2 | -30.7 | -171.9 | -67.1 | -173.7 | -49.8 | 0 | 0 | 114.3 | R143 | R143-Q147 PolarHBondContact O-N 3.36Å |
| 148 | F | 72.1 | Confident | 85.9 | Confident | 56 Ų | 56 | 67.2 Ų | 67.2 | 25% | 0.246 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -134 | 15.6 | -164.9 | -50.3 | -59.4 | 0 | 0 | 0 | 113.9 | R233 F237 | F148-R233 HydrophobicContact CB-CB 3.97Å; F148-R233 HydrophobicContact CD1-CB 3.99Å; F148-R233 HydrophobicContact CD1-CG 4.28Å; F148-R233 HydrophobicContact CG-CB 4.04Å; F148-F237 HydrophobicContact CD2-CB 4.5Å; F148-F237 HydrophobicContact CD2-CD2 4.31Å; F148-F237 HydrophobicContact CD2-CG 4.5Å; F148-F237 HydrophobicContact CE2-CB 4.49Å; F148-F237 AromaticContact CE2-CD2 3.81Å; F148-F237 HydrophobicContact CE2-CD2 3.81Å; F148-F237 HydrophobicContact CE2-CE2 4.43Å; F148-F237 HydrophobicContact CE2-CG 4.39Å |
| 149 | C | 81.8 | Confident | 86.3 | Confident | 27 Ų | 27 | 66.5 Ų | 66.5 | 18% | 0.182 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 142.7 | -172.3 | -151.9 | 0 | 0 | 0 | 0 | 112.6 | T145 L227 C228 W229 | T145-C149 WeakPolarHBondContact O-CB 3.3Å; C149-L227 HydrophobicContact CB-CD1 4.25Å; C149-L227 WeakPolarHBondContact SG-CD1 3.28Å; C149-L227 WeakPolarHBondContact SG-CG 3.4Å; C149-C228 PolarHBondContact SG-O 3.2Å; C149-C228 VanDerWaalsContact SG-O 3.37Å; C149-W229 VanDerWaalsContact SG-CD1 3.5Å; C149-W229 VanDerWaalsContact SG-CE2 3.58Å; C149-W229 PolarHBondContact SG-NE1 3.5Å |
| 150 | T | 84.6 | Confident | 86.8 | Confident | 77 Ų | 77 | 64.1 Ų | 64.1 | 47% | 0.472 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 137.3 | 175.5 | 58.3 | 0 | 0 | 0 | 0 | 109.5 | C228 | T150-C228 PolarHBondContact N-O 3.08Å; T150-C228 PolarHBondContact O-N 3.06Å; T150-C228 PolarHBondContact OG1-O 3.45Å |
| 151 | I | 88.1 | Confident | 87.1 | Confident | 77 Ų | 77 | 63.3 Ų | 63.3 | 40% | 0.395 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 121.5 | 173.1 | -59.4 | 172.6 | 0 | 0 | 0 | 107.3 | D120 L123 L176 L227 | D120-I151 HydrophobicContact CB-CD1 4.38Å; L123-I151 HydrophobicContact CD1-CD1 3.53Å; L123-I151 HydrophobicContact CD1-CG1 4.18Å; I151-L176 HydrophobicContact CG2-CD1 4.15Å; I151-L227 HydrophobicContact CG1-CD1 4Å |
| 152 | Q | 89.4 | Confident | 87.2 | Confident | 74 Ų | 74 | 64.5 Ų | 64.5 | 35% | 0.346 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 153.4 | 179.7 | -65.6 | -173.4 | 53.3 | 0 | 0 | 110.7 | K225 F226 | Q152-K225 WeakPolarHBondContact O-CA 3.41Å; Q152-F226 HydrophobicContact CB-CD1 4.47Å; Q152-F226 HydrophobicContact CB-CD2 4.34Å; Q152-F226 HydrophobicContact CB-CE1 3.86Å; Q152-F226 HydrophobicContact CB-CE2 3.71Å; Q152-F226 HydrophobicContact CB-CZ 3.44Å; Q152-F226 VanDerWaalsContact CB-CZ 3.44Å; Q152-F226 HydrophobicContact CG-CE2 4.36Å; Q152-F226 HydrophobicContact CG-CZ 4.35Å; Q152-F226 PolarHBondContact N-O 2.79Å; Q152-F226 PolarHBondContact O-N 3.49Å |
| 153 | T | 91.8 | Very high | 87.4 | Confident | 100 Ų | 100 | 63.2 Ų | 63.2 | 61% | 0.613 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 134.8 | -178 | 66.7 | 0 | 0 | 0 | 0 | 110.1 | C224 K225 | T153-C224 CarbonylContact C-O 3.45Å; T153-C224 WeakPolarHBondContact CA-O 3.29Å; T153-K225 HydrophobicContact CG2-CD 4.35Å; T153-K225 HydrophobicContact CG2-CG 3.82Å |
| 154 | L | 93.9 | Very high | 87.3 | Confident | 23 Ų | 23 | 61.1 Ų | 61.1 | 12% | 0.12 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 127.8 | -179.1 | -163.1 | 64 | 0 | 0 | 0 | 109.1 | Q158 M180 A220 N223 C224 F226 | L154-Q158 HydrophobicContact CD1-CB 3.45Å; L154-Q158 VanDerWaalsContact CD1-CB 3.45Å; L154-Q158 HydrophobicContact CD1-CG 4.45Å; L154-Q158 HydrophobicContact CG-CB 3.77Å; L154-M180 HydrophobicContact CD2-CE 4.15Å; L154-A220 HydrophobicContact CB-CB 4.41Å; L154-A220 HydrophobicContact CD2-CB 3.8Å; L154-A220 HydrophobicContact CG-CB 3.95Å; L154-N223 CarbonylContact O-C 3.55Å; L154-C224 HydrophobicContact CB-CB 4.3Å; L154-C224 PolarHBondContact N-O 3.48Å; L154-C224 PolarHBondContact O-N 3.32Å; L154-F226 HydrophobicContact CB-CE1 4.17Å |
| 155 | K | 95.6 | Very high | 87.3 | Confident | 143 Ų | 143 | 69.1 Ų | 69.1 | 62% | 0.622 | 38% | 0.378 | S | S | * | . | trans | -77.5 | 155.4 | 177.9 | -64.2 | -178.7 | -179.4 | 177.9 | 0 | 110.4 | G157 Q158 A220 | K155-G157 PolarHBondContact O-N 3.4Å; K155-Q158 HydrophobicContact CB-CG 4.21Å; K155-Q158 WeakPolarHBondContact O-CB 3.38Å; K155-Q158 PolarHBondContact O-N 3.16Å; K155-A220 WeakPolarHBondContact O-CB 3.46Å | ||
| 156 | K | 95.9 | Very high | 87.4 | Confident | 154 Ų | 154 | 70.2 Ų | 70.2 | 67% | 0.67 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | 130.8 | 172 | 176.2 | 168.5 | -175.5 | 176 | 0 | 111.1 | Q158 E221 N223 | K156-Q158 VanDerWaalsContact C-N 3.32Å; K156-E221 WeakPolarHBondContact CD-O 3.37Å; K156-E221 WeakPolarHBondContact CE-O 3.45Å; K156-E221 VanDerWaalsContact CG-O 3.24Å; K156-E221 WeakPolarHBondContact CG-O 3.46Å; K156-N223 PolarHBondContact N-OD1 3.26Å; K156-N223 VanDerWaalsContact N-OD1 3.1Å |
| 157 | G | 92.9 | Very high | 87.6 | Confident | 57 Ų | 57 | 70.1 Ų | 70.1 | 59% | 0.588 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.1 | -10.3 | -180 | 0 | 0 | 0 | 0 | 0 | 115.1 | K155 A220 | K155-G157 PolarHBondContact O-N 3.4Å; G157-A220 PolarHBondContact N-O 3.43Å |
| 158 | Q | 94.9 | Very high | 88 | Confident | 91 Ų | 91 | 64.9 Ų | 64.9 | 43% | 0.425 | 35% | 0.352 | S | S | . | . | trans | -78.4 | 142.5 | 174.7 | -66 | -175.8 | -41.6 | 0 | 0 | 111.1 | L154 K155 K156 A220 | L154-Q158 HydrophobicContact CD1-CB 3.45Å; L154-Q158 VanDerWaalsContact CD1-CB 3.45Å; L154-Q158 HydrophobicContact CD1-CG 4.45Å; L154-Q158 HydrophobicContact CG-CB 3.77Å; K155-Q158 HydrophobicContact CB-CG 4.21Å; K155-Q158 WeakPolarHBondContact O-CB 3.38Å; K155-Q158 PolarHBondContact O-N 3.16Å; K156-Q158 VanDerWaalsContact C-N 3.32Å; Q158-A220 PolarHBondContact O-N 3.46Å | ||
| 159 | A | 92.8 | Very high | 87.8 | Confident | 54 Ų | 54 | 63.3 Ų | 63.3 | 45% | 0.446 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 130.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I218 V219 | A159-I218 CarbonylContact C-O 3.56Å; A159-I218 WeakPolarHBondContact CA-O 3.4Å; A159-V219 HydrophobicContact CB-CG2 4.35Å |
| 160 | Y | 93.1 | Very high | 87.4 | Confident | 10 Ų | 10 | 68 Ų | 68 | 4% | 0.039 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | -43.8 | 167.3 | 171.6 | -95.5 | 0 | 0 | 0 | 110.5 | R171 S173 I198 D199 F214 I218 F226 | Y160-R171 VanDerWaalsContact CE2-NH2 3.29Å; Y160-R171 PolarHBondContact O-NH2 3.32Å; Y160-R171 VanDerWaalsContact O-NH2 3.14Å; Y160-R171 PolarHBondContact OH-NE 3.12Å; Y160-S173 WeakPolarHBondContact OH-CB 3.47Å; Y160-S173 PolarHBondContact OH-OG 3.2Å; Y160-I198 HydrophobicContact CD1-CG2 3.6Å; Y160-I198 HydrophobicContact CE1-CB 4.38Å; Y160-I198 HydrophobicContact CE1-CG2 3.5Å; Y160-I198 VanDerWaalsContact CE1-CG2 3.5Å; Y160-I198 HydrophobicContact CE2-CD1 4.31Å; Y160-I198 HydrophobicContact CE2-CG2 4.48Å; Y160-I198 HydrophobicContact CG-CG2 4.16Å; Y160-D199 PolarHBondContact OH-OD2 3.42Å; Y160-F214 HydrophobicContact CE1-CE1 4.49Å; Y160-F214 HydrophobicContact CE1-CZ 4.15Å; Y160-I218 HydrophobicContact CD1-CB 4.34Å; Y160-I218 HydrophobicContact CD1-CD1 4.19Å; Y160-I218 HydrophobicContact CD1-CG2 4.41Å; Y160-I218 PolarHBondContact N-O 2.88Å; Y160-F226 HydrophobicContact CD2-CE1 4.13Å; Y160-F226 HydrophobicContact CD2-CE2 4.11Å; Y160-F226 AromaticContact CD2-CZ 3.84Å; Y160-F226 HydrophobicContact CD2-CZ 3.84Å; Y160-F226 HydrophobicContact CE2-CD2 4.07Å; Y160-F226 HydrophobicContact CE2-CE1 4.44Å; Y160-F226 AromaticContact CE2-CE2 3.6Å; Y160-F226 HydrophobicContact CE2-CE2 3.6Å; Y160-F226 AromaticContact CE2-CZ 3.81Å; Y160-F226 HydrophobicContact CE2-CZ 3.81Å |
| 161 | A | 92.2 | Very high | 87.6 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.008 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 141.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109 | T166 F214 T217 I218 | A161-T166 HydrophobicContact CB-CG2 4.19Å; A161-F214 HydrophobicContact CB-CB 4.13Å; A161-F214 HydrophobicContact CB-CD1 3.58Å; A161-F214 HydrophobicContact CB-CD2 3.77Å; A161-F214 HydrophobicContact CB-CE1 3.84Å; A161-F214 HydrophobicContact CB-CE2 4.02Å; A161-F214 HydrophobicContact CB-CG 3.54Å; A161-F214 HydrophobicContact CB-CZ 4.06Å; A161-T217 WeakPolarHBondContact O-CA 3.28Å; A161-I218 PolarHBondContact N-O 3.17Å; A161-I218 PolarHBondContact O-N 2.87Å |
| 162 | A | 90.4 | Very high | 87.8 | Confident | 25 Ų | 25 | 63.2 Ų | 63.2 | 21% | 0.207 | 33% | 0.334 | C | S | . | . | trans | -112.3 | 136 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | D164 K165 T166 | A162-D164 PolarHBondContact O-N 3Å; A162-K165 HydrophobicContact CB-CB 4.04Å; A162-K165 HydrophobicContact CB-CD 4.13Å; A162-K165 PolarHBondContact O-N 3.06Å; A162-K165 VanDerWaalsContact O-N 3.17Å; A162-T166 PolarHBondContact N-OG1 3.42Å; A162-T166 PolarHBondContact O-N 3.42Å; A162-T166 VanDerWaalsContact O-N 3.12Å | ||
| 163 | E | 87 | Confident | 88 | Confident | 35 Ų | 35 | 59.7 Ų | 59.7 | 16% | 0.164 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 132.3 | 177.7 | -178 | 173.3 | 170.5 | 0 | 0 | 110.7 | K165 R185 F214 Q215 T217 | E163-K165 PolarHBondContact O-N 2.96Å; E163-R185 WeakPolarHBondContact OE1-CG 3.15Å; E163-R185 PolarHBondContact OE2-N 3.45Å; E163-F214 CarbonylContact C-O 3.58Å; E163-F214 VanDerWaalsContact CA-O 3.29Å; E163-F214 WeakPolarHBondContact CA-O 3.31Å; E163-Q215 WeakPolarHBondContact CG-O 3.32Å; E163-T217 VanDerWaalsContact CB-OG1 3.23Å; E163-T217 WeakPolarHBondContact CB-OG1 3.32Å; E163-T217 PolarHBondContact N-OG1 2.89Å; E163-T217 VanDerWaalsContact N-OG1 3.09Å |
| 164 | D | 83.8 | Confident | 88.1 | Confident | 100 Ų | 100 | 54.9 Ų | 54.9 | 54% | 0.535 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 12.1 | 179.6 | -59.3 | -38.5 | 0 | 0 | 0 | 116.2 | A162 K213 F214 | A162-D164 PolarHBondContact O-N 3Å; D164-K213 VanDerWaalsContact C-CD 3.4Å; D164-K213 WeakPolarHBondContact O-CD 3.4Å; D164-K213 PolarHBondContact O-NZ 3.33Å; D164-K213 VanDerWaalsContact O-NZ 3.11Å; D164-F214 PolarHBondContact N-O 3.18Å |
| 165 | K | 85.1 | Confident | 88.1 | Confident | 170 Ų | 170 | 53.8 Ų | 53.8 | 74% | 0.739 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | -47.9 | -179.4 | -68.6 | -179.3 | -176.3 | -179.1 | 0 | 112.7 | A162 E163 | A162-K165 HydrophobicContact CB-CB 4.04Å; A162-K165 HydrophobicContact CB-CD 4.13Å; A162-K165 PolarHBondContact O-N 3.06Å; A162-K165 VanDerWaalsContact O-N 3.17Å; E163-K165 PolarHBondContact O-N 2.96Å |
| 166 | T | 84.8 | Confident | 88 | Confident | 40 Ų | 40 | 47.5 Ų | 47.5 | 25% | 0.245 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -84.4 | 131.8 | -176.3 | -53 | 0 | 0 | 0 | 0 | 110.2 | A161 A162 K213 F214 | A161-T166 HydrophobicContact CB-CG2 4.19Å; A162-T166 PolarHBondContact N-OG1 3.42Å; A162-T166 PolarHBondContact O-N 3.42Å; A162-T166 VanDerWaalsContact O-N 3.12Å; T166-K213 CarbonylContact O-C 3.44Å; T166-K213 VanDerWaalsContact O-CA 3.24Å; T166-K213 WeakPolarHBondContact O-CA 3.48Å; T166-K213 WeakPolarHBondContact O-CB 3.48Å; T166-F214 HydrophobicContact CG2-CD2 3.87Å; T166-F214 HydrophobicContact CG2-CE2 4.07Å; T166-F214 WeakPolarHBondContact O-CD2 3.4Å; T166-F214 PolarHBondContact O-N 2.99Å |
| 167 | S | 81.5 | Confident | 87.8 | Confident | 43 Ų | 43 | 45.9 Ų | 45.9 | 30% | 0.301 | 25% | 0.248 | S | C | . | . | B | Isolated β-bridge | trans | -68.6 | 140.9 | 171.8 | 41.1 | 0 | 0 | 0 | 0 | 111 | E170 F214 | S167-E170 VanDerWaalsContact OG-CD 3.29Å; S167-E170 PolarHBondContact OG-OE1 3.38Å; S167-F214 WeakPolarHBondContact O-CE2 3.38Å |
| 168 | V | 77.4 | Confident | 87.8 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.036 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -86.4 | -26.1 | 179.5 | 166.8 | 0 | 0 | 0 | 0 | 112.5 | E170 E202 T206 E212 K213 F214 R231 | V168-E170 PolarHBondContact O-N 2.72Å; V168-E202 HydrophobicContact CG1-CB 3.53Å; V168-E202 HydrophobicContact CG1-CG 4.24Å; V168-E202 HydrophobicContact CG2-CB 4.26Å; V168-E202 HydrophobicContact CG2-CG 4.05Å; V168-T206 HydrophobicContact CB-CG2 4.01Å; V168-T206 HydrophobicContact CG1-CG2 3.36Å; V168-T206 WeakPolarHBondContact CG1-OG1 3.26Å; V168-E212 WeakPolarHBondContact CB-O 3.49Å; V168-E212 PolarHBondContact N-O 3.47Å; V168-K213 VanDerWaalsContact CG2-C 3.44Å; V168-F214 HydrophobicContact CB-CE2 4.43Å; V168-F214 HydrophobicContact CG2-CB 4.48Å; V168-F214 HydrophobicContact CG2-CD2 3.6Å; V168-F214 HydrophobicContact CG2-CE2 3.89Å; V168-F214 HydrophobicContact CG2-CG 3.99Å; V168-F214 HydrophobicContact CG2-CZ 4.49Å; V168-R231 PolarHBondContact O-NH2 3.26Å |
| 169 | D | 67.4 | Low | 87.8 | Confident | 23 Ų | 23 | 41.1 Ų | 41.1 | 12% | 0.123 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -9.5 | -163.1 | -66.4 | -6 | 0 | 0 | 0 | 114.4 | H209 R210 G211 R231 | D169-H209 PolarHBondContact OD2-N 3.2Å; D169-R210 PolarHBondContact OD2-N 3.44Å; D169-G211 PolarHBondContact OD2-N 2.92Å; D169-R231 WeakPolarHBondContact O-CB 3.14Å; D169-R231 VanDerWaalsContact O-CD 3.31Å; D169-R231 WeakPolarHBondContact O-CD 3.25Å; D169-R231 PolarHBondContact O-NE 2.75Å |
| 170 | E | 73.7 | Confident | 87.9 | Confident | 125 Ų | 125 | 38.5 Ų | 38.5 | 58% | 0.584 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -32.8 | -162.4 | -64.1 | -178.6 | -168.2 | 0 | 0 | 114.7 | S167 V168 R231 | S167-E170 VanDerWaalsContact OG-CD 3.29Å; S167-E170 PolarHBondContact OG-OE1 3.38Å; V168-E170 PolarHBondContact O-N 2.72Å; E170-R231 PolarHBondContact O-N 2.87Å; E170-R231 VanDerWaalsContact O-N 3.11Å |
| 171 | R | 87.9 | Confident | 88 | Confident | 53 Ų | 53 | 42.1 Ų | 42.1 | 20% | 0.2 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 160.4 | -165.3 | 60.4 | -177.3 | -180 | -165.5 | 3.9 | 115.5 | Y160 C228 W229 | Y160-R171 VanDerWaalsContact CE2-NH2 3.29Å; Y160-R171 PolarHBondContact O-NH2 3.32Å; Y160-R171 VanDerWaalsContact O-NH2 3.14Å; Y160-R171 PolarHBondContact OH-NE 3.12Å; R171-C228 WeakPolarHBondContact CD-SG 3.4Å; R171-W229 CarbonylContact C-O 3.52Å; R171-W229 WeakPolarHBondContact CA-O 3.12Å; R171-W229 VanDerWaalsContact CB-O 3.25Å; R171-W229 WeakPolarHBondContact CB-O 3.46Å |
| 172 | L | 91.8 | Very high | 88 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 132.5 | 163.6 | -179.4 | 69.4 | 0 | 0 | 0 | 108.4 | F197 D199 F203 W229 L234 F248 I252 | L172-F197 HydrophobicContact CD1-CD1 3.72Å; L172-F197 HydrophobicContact CD1-CE1 4.1Å; L172-F197 HydrophobicContact CD2-CD1 4.22Å; L172-F197 HydrophobicContact CD2-CE1 3.74Å; L172-F197 HydrophobicContact CG-CD1 3.98Å; L172-F197 HydrophobicContact CG-CE1 3.97Å; L172-D199 WeakPolarHBondContact CA-OD1 3.27Å; L172-F203 HydrophobicContact CB-CD2 3.72Å; L172-F203 HydrophobicContact CB-CE2 3.97Å; L172-F203 HydrophobicContact CB-CG 4.3Å; L172-F203 HydrophobicContact CD1-CB 3.62Å; L172-F203 HydrophobicContact CD1-CD1 4.24Å; L172-F203 HydrophobicContact CD1-CD2 4.03Å; L172-F203 HydrophobicContact CD1-CG 3.71Å; L172-F203 HydrophobicContact CD2-CD1 4.38Å; L172-F203 HydrophobicContact CD2-CD2 4.37Å; L172-F203 HydrophobicContact CD2-CE1 4.37Å; L172-F203 HydrophobicContact CD2-CE2 4.34Å; L172-F203 HydrophobicContact CD2-CG 4.38Å; L172-F203 HydrophobicContact CD2-CZ 4.35Å; L172-F203 HydrophobicContact CG-CD2 4.25Å; L172-F203 HydrophobicContact CG-CG 4.35Å; L172-W229 PolarHBondContact N-O 3.19Å; L172-W229 PolarHBondContact O-N 3.47Å; L172-L234 HydrophobicContact CB-CD2 4.01Å; L172-L234 HydrophobicContact CD2-CD2 3.47Å; L172-L234 VanDerWaalsContact CD2-CD2 3.47Å; L172-L234 HydrophobicContact CG-CD2 4.35Å; L172-F248 HydrophobicContact CD2-CD1 4.29Å; L172-F248 HydrophobicContact CD2-CE1 4.05Å; L172-I252 HydrophobicContact CD2-CD1 4.29Å |
| 173 | S | 93.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 145.6 | -173.8 | -58.1 | 0 | 0 | 0 | 0 | 114.2 | Y160 F197 I198 D199 L227 | Y160-S173 WeakPolarHBondContact OH-CB 3.47Å; Y160-S173 PolarHBondContact OH-OG 3.2Å; S173-F197 WeakPolarHBondContact O-CA 3.49Å; S173-I198 PolarHBondContact O-N 3.48Å; S173-D199 PolarHBondContact N-OD1 3.27Å; S173-D199 PolarHBondContact N-OD2 3.48Å; S173-L227 CarbonylContact C-O 3.56Å; S173-L227 WeakPolarHBondContact CA-O 3.32Å; S173-L227 VanDerWaalsContact CB-O 3.23Å; S173-L227 WeakPolarHBondContact CB-O 3.4Å |
| 174 | I | 94.4 | Very high | 88 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 131.7 | 174 | -64.6 | 174.4 | 0 | 0 | 0 | 109.6 | V126 M130 L176 F197 F226 L227 W229 | V126-I174 HydrophobicContact CG1-CG2 4.36Å; V126-I174 HydrophobicContact CG2-CG2 4.38Å; M130-I174 HydrophobicContact CE-CD1 4.39Å; M130-I174 HydrophobicContact SD-CD1 4.47Å; M130-I174 HydrophobicContact SD-CG2 4.42Å; I174-L176 PolarHBondContact O-N 2.98Å; I174-F197 HydrophobicContact CD1-CD1 4.12Å; I174-F197 HydrophobicContact CD1-CE1 3.55Å; I174-F197 HydrophobicContact CD1-CE2 4.28Å; I174-F197 HydrophobicContact CD1-CZ 3.65Å; I174-F197 HydrophobicContact CG1-CD1 3.45Å; I174-F197 VanDerWaalsContact CG1-CD1 3.45Å; I174-F197 HydrophobicContact CG1-CD2 4.48Å; I174-F197 HydrophobicContact CG1-CE1 3.41Å; I174-F197 VanDerWaalsContact CG1-CE1 3.41Å; I174-F197 HydrophobicContact CG1-CE2 4.44Å; I174-F197 HydrophobicContact CG1-CG 4.02Å; I174-F197 HydrophobicContact CG1-CZ 3.94Å; I174-F226 CarbonylContact O-C 3.4Å; I174-F226 VanDerWaalsContact O-CA 3.26Å; I174-F226 WeakPolarHBondContact O-CA 3.4Å; I174-F226 WeakPolarHBondContact O-CB 3.48Å; I174-L227 HydrophobicContact CB-CB 4.42Å; I174-L227 PolarHBondContact N-O 2.98Å; I174-L227 PolarHBondContact O-N 3.28Å; I174-W229 HydrophobicContact CD1-CH2 3.58Å; I174-W229 HydrophobicContact CD1-CZ3 3.55Å; I174-W229 HydrophobicContact CG1-CH2 4.31Å; I174-W229 HydrophobicContact CG1-CZ3 3.82Å |
| 175 | L | 94.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 117.3 | 176.3 | -171.3 | 59.4 | 0 | 0 | 0 | 110.5 | K177 M180 I192 N195 S196 I198 C224 F226 | L175-K177 WeakPolarHBondContact CD1-O 3.39Å; L175-M180 HydrophobicContact CD1-CE 3.67Å; L175-M180 HydrophobicContact CD1-CG 4.33Å; L175-M180 HydrophobicContact CD1-SD 4.07Å; L175-M180 HydrophobicContact CD2-CG 4.16Å; L175-M180 HydrophobicContact CD2-SD 4.45Å; L175-I192 HydrophobicContact CB-CG2 4.5Å; L175-I192 HydrophobicContact CD2-CG2 4.11Å; L175-I192 WeakPolarHBondContact CD2-O 3.46Å; L175-N195 PolarHBondContact O-N 3.48Å; L175-S196 PolarHBondContact N-O 3.42Å; L175-I198 HydrophobicContact CB-CD1 4.29Å; L175-I198 HydrophobicContact CB-CG1 4.16Å; L175-C224 HydrophobicContact CD1-CB 3.95Å; L175-F226 HydrophobicContact CD1-CB 4.36Å |
| 176 | L | 92.6 | Very high | 88 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -42.9 | 179.4 | -59 | 178.8 | 0 | 0 | 0 | 111.7 | E122 L123 V126 I151 I174 K225 L227 | E122-L176 HydrophobicContact CB-CB 4.26Å; E122-L176 HydrophobicContact CB-CD1 4.36Å; L123-L176 HydrophobicContact CD1-CD1 3.68Å; L123-L176 HydrophobicContact CD1-CD2 4.31Å; V126-L176 HydrophobicContact CG2-CD2 3.51Å; I151-L176 HydrophobicContact CG2-CD1 4.15Å; I174-L176 PolarHBondContact O-N 2.98Å; L176-K225 WeakPolarHBondContact CA-O 3.39Å; L176-K225 HydrophobicContact CB-CB 4.45Å; L176-K225 WeakPolarHBondContact CB-O 3.21Å; L176-K225 PolarHBondContact N-O 3.27Å; L176-L227 HydrophobicContact CD1-CB 4.19Å; L176-L227 HydrophobicContact CD2-CB 3.98Å; L176-L227 HydrophobicContact CG-CB 4.09Å |
| 177 | K | 92.4 | Very high | 88.1 | Confident | 119 Ų | 119 | 47.6 Ų | 47.6 | 52% | 0.517 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 147.6 | -176.5 | -170.2 | 179.4 | 177.9 | -176 | 0 | 110.6 | L175 C224 K225 | L175-K177 WeakPolarHBondContact CD1-O 3.39Å; K177-C224 CarbonylContact O-C 3.54Å; K177-C224 WeakPolarHBondContact O-CA 3.32Å; K177-K225 HydrophobicContact CB-CB 4.21Å; K177-K225 PolarHBondContact N-O 2.96Å; K177-K225 PolarHBondContact O-N 2.83Å |
| 178 | G | 92.6 | Very high | 88.4 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | S | Bend | trans | 93.6 | -162.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T194 | G178-T194 WeakPolarHBondContact O-CG2 3.48Š|
| 179 | K | 94.4 | Very high | 88.9 | Confident | 38 Ų | 38 | 52.6 Ų | 52.6 | 17% | 0.165 | 25% | 0.253 | C | S | . | . | trans | -143.1 | 136.5 | -176.2 | -173.3 | 180 | 172.4 | -144.2 | 0 | 109.8 | N191 Y193 E221 E222 C224 | K179-N191 VanDerWaalsContact CE-ND2 3.29Å; K179-N191 WeakPolarHBondContact CE-ND2 3.44Å; K179-N191 HydrophobicContact CG-CB 4.47Å; K179-N191 PolarHBondContact NZ-ND2 3.31Å; K179-Y193 HydrophobicContact CD-CD1 4.22Å; K179-Y193 HydrophobicContact CD-CE1 3.75Å; K179-Y193 HydrophobicContact CG-CD1 4.14Å; K179-Y193 HydrophobicContact CG-CE1 4.1Å; K179-E221 WeakPolarHBondContact CD-OE2 3.48Å; K179-E221 WeakPolarHBondContact CE-OE2 3.45Å; K179-E221 IonicContact NZ-OE1 3.45Å; K179-E221 IonicContact NZ-OE2 2.78Å; K179-E221 PolarHBondContact NZ-OE2 2.88Å; K179-E221 WeakPolarHBondContact O-CB 3.47Å; K179-E221 PolarHBondContact O-N 2.99Å; K179-E222 HydrophobicContact CB-CG 4.38Å; K179-E222 PolarHBondContact O-N 3.28Å; K179-C224 PolarHBondContact N-SG 3.47Å; K179-C224 VanDerWaalsContact N-SG 3.44Å; K179-C224 PolarHBondContact O-SG 3.39Å | ||
| 180 | M | 95.8 | Very high | 90 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 147.6 | 177 | -63.8 | 176.7 | 171.1 | 0 | 0 | 110.3 | L154 L175 N191 I192 I198 I218 V219 C224 F226 | L154-M180 HydrophobicContact CD2-CE 4.15Å; L175-M180 HydrophobicContact CD1-CE 3.67Å; L175-M180 HydrophobicContact CD1-CG 4.33Å; L175-M180 HydrophobicContact CD1-SD 4.07Å; L175-M180 HydrophobicContact CD2-CG 4.16Å; L175-M180 HydrophobicContact CD2-SD 4.45Å; M180-N191 CarbonylContact O-C 3.58Å; M180-N191 VanDerWaalsContact O-CA 3.29Å; M180-N191 WeakPolarHBondContact O-CA 3.45Å; M180-I192 HydrophobicContact CB-CB 4.27Å; M180-I192 PolarHBondContact N-O 2.88Å; M180-I192 PolarHBondContact O-N 3.33Å; M180-I198 HydrophobicContact CE-CD1 3.85Å; M180-I198 HydrophobicContact SD-CD1 3.75Å; M180-I198 HydrophobicContact SD-CG1 4.09Å; M180-I198 HydrophobicContact SD-CG2 4.21Å; M180-I218 HydrophobicContact CB-CG2 4.15Å; M180-I218 HydrophobicContact SD-CG2 4.18Å; M180-V219 CarbonylContact C-O 3.55Å; M180-V219 WeakPolarHBondContact CA-O 3.19Å; M180-C224 HydrophobicContact CE-CB 3.73Å; M180-F226 HydrophobicContact CE-CD1 4.04Å |
| 181 | K | 94.4 | Very high | 90.9 | Very high | 86 Ų | 86 | 48 Ų | 48 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 130.1 | 177.1 | -177.8 | -174.5 | 177.1 | -173.4 | 0 | 108.9 | F188 I218 V219 | K181-F188 HydrophobicContact CD-CD2 4Å; K181-F188 HydrophobicContact CD-CE2 4.46Å; K181-F188 HydrophobicContact CG-CD2 3.55Å; K181-F188 HydrophobicContact CG-CE2 3.72Å; K181-I218 WeakPolarHBondContact O-CA 3.37Å; K181-V219 PolarHBondContact N-O 3.44Å; K181-V219 PolarHBondContact O-N 3.34Å |
| 182 | V | 92.7 | Very high | 91.2 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.024 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 134 | 173 | -171.9 | 0 | 0 | 0 | 0 | 109.1 | L189 H190 I192 V216 I218 | V182-L189 HydrophobicContact CG1-CD1 4.27Å; V182-L189 PolarHBondContact O-N 3.13Å; V182-H190 WeakPolarHBondContact CB-O 3.38Å; V182-H190 PolarHBondContact N-O 3.24Å; V182-I192 HydrophobicContact CG2-CD1 3.37Å; V182-I192 HydrophobicContact CG2-CG1 3.73Å; V182-V216 HydrophobicContact CG1-CB 3.89Å; V182-V216 HydrophobicContact CG1-CG1 4.33Å; V182-V216 HydrophobicContact CG1-CG2 3.82Å; V182-I218 HydrophobicContact CG1-CG1 4.41Å; V182-I218 HydrophobicContact CG2-CG1 4.32Å |
| 183 | S | 88.8 | Confident | 91.3 | Very high | 17 Ų | 17 | 52.1 Ų | 52.1 | 12% | 0.119 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 144 | 176.9 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | H187 T217 | S183-H187 CarbonylContact C-O 3.6Å; S183-H187 WeakPolarHBondContact CA-O 3.34Å; S183-H187 WeakPolarHBondContact CB-O 3.49Å; S183-T217 PolarHBondContact N-O 3.44Å; S183-T217 PolarHBondContact O-N 3.39Å; S183-T217 PolarHBondContact OG-O 3.46Å |
| 184 | Y | 88.1 | Confident | 91.2 | Very high | 83 Ų | 83 | 55 Ų | 55 | 33% | 0.325 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 122.7 | 174.3 | 177.5 | -106.8 | 0 | 0 | 0 | 109 | G186 H187 Q215 V216 | Y184-G186 PolarHBondContact O-N 3.16Å; Y184-H187 PolarHBondContact N-O 3.05Å; Y184-H187 WeakPolarHBondContact O-CB 3.39Å; Y184-H187 PolarHBondContact O-N 3.34Å; Y184-Q215 WeakPolarHBondContact CD2-O 3.38Å; Y184-Q215 WeakPolarHBondContact CE2-O 3.41Å; Y184-V216 HydrophobicContact CD2-CG1 4.25Å |
| 185 | R | 86.7 | Confident | 91.1 | Very high | 177 Ų | 177 | 56.2 Ų | 56.2 | 67% | 0.668 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 36.2 | -176.7 | -61.5 | -176.3 | 170.9 | -180 | -1.9 | 113.6 | E163 H187 | E163-R185 WeakPolarHBondContact OE1-CG 3.15Å; E163-R185 PolarHBondContact OE2-N 3.45Å; R185-H187 VanDerWaalsContact C-N 3.27Å; R185-H187 PolarHBondContact O-N 3.46Å |
| 186 | G | 83.1 | Confident | 91 | Very high | 65 Ų | 65 | 57.3 Ų | 57.3 | 67% | 0.67 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | -10.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y184 | Y184-G186 PolarHBondContact O-N 3.16Š|
| 187 | H | 86.4 | Confident | 91.1 | Very high | 139 Ų | 139 | 56.8 Ų | 56.8 | 64% | 0.644 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 132.7 | 173.9 | -64.8 | -81.6 | 0 | 0 | 0 | 110.9 | S183 Y184 R185 L189 | S183-H187 CarbonylContact C-O 3.6Å; S183-H187 WeakPolarHBondContact CA-O 3.34Å; S183-H187 WeakPolarHBondContact CB-O 3.49Å; Y184-H187 PolarHBondContact N-O 3.05Å; Y184-H187 WeakPolarHBondContact O-CB 3.39Å; Y184-H187 PolarHBondContact O-N 3.34Å; R185-H187 VanDerWaalsContact C-N 3.27Å; R185-H187 PolarHBondContact O-N 3.46Å; H187-L189 PolarHBondContact O-N 2.97Å |
| 188 | F | 87.9 | Confident | 91.2 | Very high | 97 Ų | 97 | 51.2 Ų | 51.2 | 43% | 0.425 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 131 | 176.7 | 172.4 | -113.3 | 0 | 0 | 0 | 110.8 | K181 H190 N191 | K181-F188 HydrophobicContact CD-CD2 4Å; K181-F188 HydrophobicContact CD-CE2 4.46Å; K181-F188 HydrophobicContact CG-CD2 3.55Å; K181-F188 HydrophobicContact CG-CE2 3.72Å; F188-H190 VanDerWaalsContact CE2-C 3.42Å; F188-H190 WeakPolarHBondContact CE2-O 3.32Å; F188-N191 WeakPolarHBondContact CE2-OD1 3.13Å |
| 189 | L | 87.4 | Confident | 91.1 | Very high | 58 Ų | 58 | 50.8 Ų | 50.8 | 30% | 0.304 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -71 | 177.1 | -72.3 | -177.6 | 0 | 0 | 0 | 111 | V182 H187 V216 L263 | V182-L189 HydrophobicContact CG1-CD1 4.27Å; V182-L189 PolarHBondContact O-N 3.13Å; H187-L189 PolarHBondContact O-N 2.97Å; L189-V216 HydrophobicContact CD1-CG1 4Å; L189-L263 HydrophobicContact CB-CD2 3.85Å; L189-L263 HydrophobicContact CD2-CD2 4.17Å; L189-L263 HydrophobicContact CG-CD2 4.49Å |
| 190 | H | 90.8 | Very high | 90.9 | Very high | 19 Ų | 19 | 49 Ų | 49 | 9% | 0.088 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 168.4 | -179.5 | 66.1 | -79.8 | 0 | 0 | 0 | 110.7 | V182 F188 T262 L263 | V182-H190 WeakPolarHBondContact CB-O 3.38Å; V182-H190 PolarHBondContact N-O 3.24Å; F188-H190 VanDerWaalsContact CE2-C 3.42Å; F188-H190 WeakPolarHBondContact CE2-O 3.32Å; H190-T262 HydrophobicContact CB-CG2 3.89Å; H190-L263 HydrophobicContact CB-CD2 4.36Å |
| 191 | N | 92.4 | Very high | 90.5 | Very high | 31 Ų | 31 | 51.1 Ų | 51.1 | 17% | 0.166 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 141.2 | 173 | -67.6 | -44.1 | 0 | 0 | 0 | 110.2 | K179 M180 F188 Y193 | K179-N191 VanDerWaalsContact CE-ND2 3.29Å; K179-N191 WeakPolarHBondContact CE-ND2 3.44Å; K179-N191 HydrophobicContact CG-CB 4.47Å; K179-N191 PolarHBondContact NZ-ND2 3.31Å; M180-N191 CarbonylContact O-C 3.58Å; M180-N191 VanDerWaalsContact O-CA 3.29Å; M180-N191 WeakPolarHBondContact O-CA 3.45Å; F188-N191 WeakPolarHBondContact CE2-OD1 3.13Å; N191-Y193 HydrophobicContact CB-CE1 4.44Å; N191-Y193 HydrophobicContact CB-CE2 3.95Å |
| 192 | I | 93.9 | Very high | 90.1 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 126.9 | 171 | -59 | 163.5 | 0 | 0 | 0 | 107.6 | L175 M180 V182 I198 I218 | L175-I192 HydrophobicContact CB-CG2 4.5Å; L175-I192 HydrophobicContact CD2-CG2 4.11Å; L175-I192 WeakPolarHBondContact CD2-O 3.46Å; M180-I192 HydrophobicContact CB-CB 4.27Å; M180-I192 PolarHBondContact N-O 2.88Å; M180-I192 PolarHBondContact O-N 3.33Å; V182-I192 HydrophobicContact CG2-CD1 3.37Å; V182-I192 HydrophobicContact CG2-CG1 3.73Å; I192-I198 HydrophobicContact CD1-CG2 4.29Å; I192-I218 HydrophobicContact CD1-CG2 4.37Å |
| 193 | Y | 93.3 | Very high | 89.8 | Confident | 137 Ų | 137 | 49.4 Ų | 49.4 | 54% | 0.537 | 25% | 0.247 | S | C | . | . | trans | -106.8 | 169 | -178.9 | -61.8 | -80.5 | 0 | 0 | 0 | 111.5 | K179 N191 S196 | K179-Y193 HydrophobicContact CD-CD1 4.22Å; K179-Y193 HydrophobicContact CD-CE1 3.75Å; K179-Y193 HydrophobicContact CG-CD1 4.14Å; K179-Y193 HydrophobicContact CG-CE1 4.1Å; N191-Y193 HydrophobicContact CB-CE1 4.44Å; N191-Y193 HydrophobicContact CB-CE2 3.95Å; Y193-S196 WeakPolarHBondContact O-CB 3.48Å; Y193-S196 PolarHBondContact O-N 3.13Å | ||
| 194 | T | 92.8 | Very high | 89.5 | Confident | 59 Ų | 59 | 56.8 Ų | 56.8 | 36% | 0.362 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 144.2 | 176.3 | 59.3 | 0 | 0 | 0 | 0 | 112 | G178 S196 | G178-T194 WeakPolarHBondContact O-CG2 3.48Å; T194-S196 VanDerWaalsContact C-N 3.31Å |
| 195 | N | 91.4 | Very high | 89 | Confident | 26 Ų | 26 | 56.3 Ų | 56.3 | 14% | 0.139 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | 28.8 | -179.5 | -49.7 | 28.3 | 0 | 0 | 0 | 113.4 | A125 R129 M130 L175 | A125-N195 PolarHBondContact O-ND2 3.03Å; R129-N195 VanDerWaalsContact CD-ND2 3.32Å; R129-N195 WeakPolarHBondContact CD-ND2 3.4Å; R129-N195 PolarHBondContact NH1-ND2 3.5Å; R129-N195 VanDerWaalsContact NH1-ND2 3.18Å; M130-N195 HydrophobicContact SD-CB 4.31Å; M130-N195 VanDerWaalsContact SD-O 3.36Å; L175-N195 PolarHBondContact O-N 3.48Å |
| 196 | S | 92.7 | Very high | 88.2 | Confident | 23 Ų | 23 | 48.3 Ų | 48.3 | 16% | 0.161 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -124.6 | 152.2 | 171.1 | 177.2 | 0 | 0 | 0 | 0 | 109.2 | L175 Y193 T194 D255 | L175-S196 PolarHBondContact N-O 3.42Å; Y193-S196 WeakPolarHBondContact O-CB 3.48Å; Y193-S196 PolarHBondContact O-N 3.13Å; T194-S196 VanDerWaalsContact C-N 3.31Å; S196-D255 PolarHBondContact OG-OD1 3.12Å |
| 197 | F | 94.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -71.4 | 148.2 | 175 | -74 | -89.4 | 0 | 0 | 0 | 110.2 | M130 L172 S173 I174 S200 L251 I252 D255 K259 | M130-F197 HydrophobicContact CE-CD2 4.06Å; M130-F197 HydrophobicContact CE-CE2 3.51Å; M130-F197 HydrophobicContact CE-CZ 4.25Å; L172-F197 HydrophobicContact CD1-CD1 3.72Å; L172-F197 HydrophobicContact CD1-CE1 4.1Å; L172-F197 HydrophobicContact CD2-CD1 4.22Å; L172-F197 HydrophobicContact CD2-CE1 3.74Å; L172-F197 HydrophobicContact CG-CD1 3.98Å; L172-F197 HydrophobicContact CG-CE1 3.97Å; S173-F197 WeakPolarHBondContact O-CA 3.49Å; I174-F197 HydrophobicContact CD1-CD1 4.12Å; I174-F197 HydrophobicContact CD1-CE1 3.55Å; I174-F197 HydrophobicContact CD1-CE2 4.28Å; I174-F197 HydrophobicContact CD1-CZ 3.65Å; I174-F197 HydrophobicContact CG1-CD1 3.45Å; I174-F197 VanDerWaalsContact CG1-CD1 3.45Å; I174-F197 HydrophobicContact CG1-CD2 4.48Å; I174-F197 HydrophobicContact CG1-CE1 3.41Å; I174-F197 VanDerWaalsContact CG1-CE1 3.41Å; I174-F197 HydrophobicContact CG1-CE2 4.44Å; I174-F197 HydrophobicContact CG1-CG 4.02Å; I174-F197 HydrophobicContact CG1-CZ 3.94Å; F197-S200 VanDerWaalsContact CB-CB 3.48Å; F197-S200 WeakPolarHBondContact CB-OG 3.49Å; F197-L251 HydrophobicContact CE2-CB 4.04Å; F197-L251 HydrophobicContact CZ-CB 4.45Å; F197-I252 HydrophobicContact CZ-CG1 4.33Å; F197-D255 HydrophobicContact CD2-CB 3.92Å; F197-D255 PolarHBondContact N-OD1 3.35Å; F197-K259 VanDerWaalsContact O-CE 3.32Å; F197-K259 WeakPolarHBondContact O-CE 3.35Å; F197-K259 PolarHBondContact O-NZ 3.4Å |
| 198 | I | 94.1 | Very high | 86 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -87.1 | -51.6 | 178.2 | -59 | 171.5 | 0 | 0 | 0 | 109.2 | Y160 S173 L175 M180 I192 I218 F226 K259 | Y160-I198 HydrophobicContact CD1-CG2 3.6Å; Y160-I198 HydrophobicContact CE1-CB 4.38Å; Y160-I198 HydrophobicContact CE1-CG2 3.5Å; Y160-I198 VanDerWaalsContact CE1-CG2 3.5Å; Y160-I198 HydrophobicContact CE2-CD1 4.31Å; Y160-I198 HydrophobicContact CE2-CG2 4.48Å; Y160-I198 HydrophobicContact CG-CG2 4.16Å; S173-I198 PolarHBondContact O-N 3.48Å; L175-I198 HydrophobicContact CB-CD1 4.29Å; L175-I198 HydrophobicContact CB-CG1 4.16Å; M180-I198 HydrophobicContact CE-CD1 3.85Å; M180-I198 HydrophobicContact SD-CD1 3.75Å; M180-I198 HydrophobicContact SD-CG1 4.09Å; M180-I198 HydrophobicContact SD-CG2 4.21Å; I192-I198 HydrophobicContact CD1-CG2 4.29Å; I198-I218 HydrophobicContact CG2-CD1 3.98Å; I198-I218 HydrophobicContact CG2-CG2 4.25Å; I198-F226 HydrophobicContact CD1-CB 3.68Å; I198-F226 HydrophobicContact CD1-CD2 4.34Å; I198-F226 HydrophobicContact CD1-CG 3.99Å; I198-K259 PolarHBondContact O-NZ 2.97Å; I198-K259 VanDerWaalsContact O-NZ 3.12Å |
| 199 | D | 91.1 | Very high | 84.6 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.011 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -116.8 | 32 | -168.4 | 47.7 | 6.3 | 0 | 0 | 0 | 112.4 | Y160 L172 S173 E202 F203 F214 | Y160-D199 PolarHBondContact OH-OD2 3.42Å; L172-D199 WeakPolarHBondContact CA-OD1 3.27Å; S173-D199 PolarHBondContact N-OD1 3.27Å; S173-D199 PolarHBondContact N-OD2 3.48Å; D199-E202 WeakPolarHBondContact CA-OE2 3.49Å; D199-E202 HydrophobicContact CB-CB 4.29Å; D199-E202 PolarHBondContact O-N 2.67Å; D199-F203 VanDerWaalsContact O-CB 3.26Å; D199-F203 WeakPolarHBondContact O-CB 3.43Å; D199-F203 PolarHBondContact O-N 3.25Å; D199-F214 HydrophobicContact CB-CE1 4.15Å; D199-F214 HydrophobicContact CB-CZ 3.93Å |
| 200 | S | 90.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 178.2 | 40.5 | 0 | 0 | 0 | 0 | 114.7 | F197 R204 D255 K259 | F197-S200 VanDerWaalsContact CB-CB 3.48Å; F197-S200 WeakPolarHBondContact CB-OG 3.49Å; S200-R204 PolarHBondContact O-N 2.83Å; S200-D255 PolarHBondContact OG-OD2 3.4Å; S200-K259 PolarHBondContact OG-NZ 3.32Å |
| 201 | P | 86.6 | Confident | 82.4 | Confident | 45 Ų | 45 | 58.3 Ų | 58.3 | 29% | 0.292 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.5 | -49.3 | 172.9 | -20 | 30.9 | 0 | 0 | 0 | 111.2 | F203 R204 S205 I256 K259 | P201-F203 VanDerWaalsContact C-N 3.33Å; P201-F203 PolarHBondContact O-N 3.31Å; P201-R204 PolarHBondContact O-N 2.79Å; P201-R204 VanDerWaalsContact O-N 3.14Å; P201-S205 WeakPolarHBondContact O-CB 3.24Å; P201-S205 PolarHBondContact O-N 2.84Å; P201-S205 PolarHBondContact O-OG 3.3Å; P201-S205 VanDerWaalsContact O-OG 3.09Å; P201-I256 HydrophobicContact CG-CG1 4.33Å; P201-K259 HydrophobicContact CG-CD 4.39Å |
| 202 | E | 86.9 | Confident | 81.8 | Confident | 25 Ų | 25 | 59.1 Ų | 59.1 | 12% | 0.117 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.9 | -44.8 | -179 | -72.8 | 84 | -175 | 0 | 0 | 111.2 | V168 D199 R204 S205 T206 F214 | V168-E202 HydrophobicContact CG1-CB 3.53Å; V168-E202 HydrophobicContact CG1-CG 4.24Å; V168-E202 HydrophobicContact CG2-CB 4.26Å; V168-E202 HydrophobicContact CG2-CG 4.05Å; D199-E202 WeakPolarHBondContact CA-OE2 3.49Å; D199-E202 HydrophobicContact CB-CB 4.29Å; D199-E202 PolarHBondContact O-N 2.67Å; E202-R204 VanDerWaalsContact C-N 3.31Å; E202-R204 PolarHBondContact O-N 3.44Å; E202-S205 PolarHBondContact O-N 3.48Å; E202-S205 PolarHBondContact O-OG 2.86Å; E202-T206 WeakPolarHBondContact O-CB 3.28Å; E202-T206 PolarHBondContact O-N 3.43Å; E202-T206 VanDerWaalsContact O-N 3.16Å; E202-T206 PolarHBondContact O-OG1 2.91Å; E202-F214 HydrophobicContact CB-CE1 4.37Å; E202-F214 HydrophobicContact CG-CD1 3.89Å; E202-F214 HydrophobicContact CG-CE1 3.68Å; E202-F214 HydrophobicContact CG-CZ 4.24Å |
| 203 | F | 85.4 | Confident | 81.3 | Confident | 28 Ų | 28 | 64.2 Ų | 64.2 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.9 | -38.4 | 176.9 | -176.1 | -94.9 | 0 | 0 | 0 | 113.4 | L172 D199 P201 R231 L234 I252 | L172-F203 HydrophobicContact CB-CD2 3.72Å; L172-F203 HydrophobicContact CB-CE2 3.97Å; L172-F203 HydrophobicContact CB-CG 4.3Å; L172-F203 HydrophobicContact CD1-CB 3.62Å; L172-F203 HydrophobicContact CD1-CD1 4.24Å; L172-F203 HydrophobicContact CD1-CD2 4.03Å; L172-F203 HydrophobicContact CD1-CG 3.71Å; L172-F203 HydrophobicContact CD2-CD1 4.38Å; L172-F203 HydrophobicContact CD2-CD2 4.37Å; L172-F203 HydrophobicContact CD2-CE1 4.37Å; L172-F203 HydrophobicContact CD2-CE2 4.34Å; L172-F203 HydrophobicContact CD2-CG 4.38Å; L172-F203 HydrophobicContact CD2-CZ 4.35Å; L172-F203 HydrophobicContact CG-CD2 4.25Å; L172-F203 HydrophobicContact CG-CG 4.35Å; D199-F203 VanDerWaalsContact O-CB 3.26Å; D199-F203 WeakPolarHBondContact O-CB 3.43Å; D199-F203 PolarHBondContact O-N 3.25Å; P201-F203 VanDerWaalsContact C-N 3.33Å; P201-F203 PolarHBondContact O-N 3.31Å; F203-R231 HydrophobicContact CE2-CB 4.4Å; F203-R231 HydrophobicContact CE2-CG 3.94Å; F203-R231 PolarHBondContact O-NH1 2.99Å; F203-R231 VanDerWaalsContact O-NH1 3.11Å; F203-L234 HydrophobicContact CE2-CD2 4.38Å; F203-L234 HydrophobicContact CZ-CD2 4.25Å; F203-I252 HydrophobicContact CD1-CD1 3.71Å; F203-I252 HydrophobicContact CE1-CD1 3.78Å |
| 204 | R | 83.9 | Confident | 80.9 | Confident | 172 Ų | 172 | 57.8 Ų | 57.8 | 65% | 0.649 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -81.7 | -32.6 | -178.4 | -171.1 | 176.4 | -178.7 | -150.1 | -0.7 | 113.2 | S200 P201 E202 I252 I256 | S200-R204 PolarHBondContact O-N 2.83Å; P201-R204 PolarHBondContact O-N 2.79Å; P201-R204 VanDerWaalsContact O-N 3.14Å; E202-R204 VanDerWaalsContact C-N 3.31Å; E202-R204 PolarHBondContact O-N 3.44Å; R204-I252 HydrophobicContact CB-CG2 4.21Å; R204-I256 HydrophobicContact CB-CD1 3.89Å; R204-I256 VanDerWaalsContact CD-CD1 3.44Å; R204-I256 HydrophobicContact CG-CD1 4.3Å |
| 205 | S | 76 | Confident | 80.6 | Confident | 74 Ų | 74 | 60.8 Ų | 60.8 | 52% | 0.517 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -82.9 | -25.3 | -175.4 | 63.9 | 0 | 0 | 0 | 0 | 113.3 | P201 E202 | P201-S205 WeakPolarHBondContact O-CB 3.24Å; P201-S205 PolarHBondContact O-N 2.84Å; P201-S205 PolarHBondContact O-OG 3.3Å; P201-S205 VanDerWaalsContact O-OG 3.09Å; E202-S205 PolarHBondContact O-N 3.48Å; E202-S205 PolarHBondContact O-OG 2.86Å |
| 206 | T | 69.6 | Low | 80.4 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 6% | 0.055 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -96.2 | 127.6 | -177.4 | 49.6 | 0 | 0 | 0 | 0 | 111.9 | V168 E202 E212 R231 | V168-T206 HydrophobicContact CB-CG2 4.01Å; V168-T206 HydrophobicContact CG1-CG2 3.36Å; V168-T206 WeakPolarHBondContact CG1-OG1 3.26Å; E202-T206 WeakPolarHBondContact O-CB 3.28Å; E202-T206 PolarHBondContact O-N 3.43Å; E202-T206 VanDerWaalsContact O-N 3.16Å; E202-T206 PolarHBondContact O-OG1 2.91Å; T206-E212 HydrophobicContact CG2-CB 3.75Å; T206-E212 HydrophobicContact CG2-CG 4.2Å; T206-E212 VanDerWaalsContact CG2-OE2 3.23Å; T206-E212 WeakPolarHBondContact CG2-OE2 3.44Å; T206-R231 PolarHBondContact O-NH1 3.44Å; T206-R231 PolarHBondContact OG1-NH1 3.29Å; T206-R231 PolarHBondContact OG1-NH2 3.41Å |
| 207 | E | 63 | Low | 80.4 | Confident | 148 Ų | 148 | 61 Ų | 61 | 69% | 0.692 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -77.2 | 152.7 | 159.4 | -67.4 | -175.4 | 173.9 | 0 | 0 | 109.6 | ||
| 208 | M | 60.8 | Low | 80.5 | Confident | 76 Ų | 76 | 61.1 Ų | 61.1 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 139 | -175.6 | -161 | 175.9 | 161.9 | 0 | 0 | 111.2 | E232 | M208-E232 HydrophobicContact CE-CB 4.37Å; M208-E232 HydrophobicContact CE-CG 3.08Å; M208-E232 VanDerWaalsContact CE-OE1 3.3Å; M208-E232 WeakPolarHBondContact CE-OE1 3.25Å; M208-E232 HydrophobicContact SD-CG 4.28Å |
| 209 | H | 59.6 | Low | 80.5 | Confident | 147 Ų | 147 | 62.9 Ų | 62.9 | 68% | 0.681 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 22.6 | 177.9 | -49.5 | -69.4 | 0 | 0 | 0 | 116.7 | D169 | D169-H209 PolarHBondContact OD2-N 3.2Š|
| 210 | R | 64.3 | Low | 80.8 | Confident | 163 Ų | 163 | 62.9 Ų | 62.9 | 62% | 0.615 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -87.1 | -15.7 | 178.2 | -157.1 | 165 | 178.4 | -156.6 | 13 | 113 | D169 E212 | D169-R210 PolarHBondContact OD2-N 3.44Å; R210-E212 HydrophobicContact CB-CG 4.25Å; R210-E212 VanDerWaalsContact CD-OE1 3.22Å; R210-E212 WeakPolarHBondContact CD-OE1 3.41Å; R210-E212 HydrophobicContact CG-CG 4.17Å; R210-E212 IonicContact CZ-OE1 2.87Å; R210-E212 IonicContact NE-OE1 3.13Å; R210-E212 PolarHBondContact NE-OE1 2.99Å; R210-E212 IonicContact NH1-OE1 2.72Å; R210-E212 PolarHBondContact NH1-OE1 3.28Å; R210-E212 PolarHBondContact O-N 3.12Å |
| 211 | G | 67 | Low | 81 | Confident | 53 Ų | 53 | 66.4 Ų | 66.4 | 55% | 0.546 | 33% | 0.328 | S | S | . | . | trans | 71.1 | 21.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D169 | D169-G211 PolarHBondContact OD2-N 2.92Š| ||
| 212 | E | 79 | Confident | 81.4 | Confident | 49 Ų | 49 | 69.1 Ų | 69.1 | 23% | 0.229 | 34% | 0.337 | C | S | . | . | trans | -66.4 | 146 | 177.4 | -69.5 | -172.1 | -158.7 | 0 | 0 | 110.4 | V168 T206 R210 | V168-E212 WeakPolarHBondContact CB-O 3.49Å; V168-E212 PolarHBondContact N-O 3.47Å; T206-E212 HydrophobicContact CG2-CB 3.75Å; T206-E212 HydrophobicContact CG2-CG 4.2Å; T206-E212 VanDerWaalsContact CG2-OE2 3.23Å; T206-E212 WeakPolarHBondContact CG2-OE2 3.44Å; R210-E212 HydrophobicContact CB-CG 4.25Å; R210-E212 VanDerWaalsContact CD-OE1 3.22Å; R210-E212 WeakPolarHBondContact CD-OE1 3.41Å; R210-E212 HydrophobicContact CG-CG 4.17Å; R210-E212 IonicContact CZ-OE1 2.87Å; R210-E212 IonicContact NE-OE1 3.13Å; R210-E212 PolarHBondContact NE-OE1 2.99Å; R210-E212 IonicContact NH1-OE1 2.72Å; R210-E212 PolarHBondContact NH1-OE1 3.28Å; R210-E212 PolarHBondContact O-N 3.12Å | ||
| 213 | K | 84.9 | Confident | 81.8 | Confident | 110 Ų | 110 | 73.4 Ų | 73.4 | 48% | 0.478 | 36% | 0.36 | S | S | . | . | B | Isolated β-bridge | trans | -110.8 | 156.1 | -178.8 | -57.6 | -170.8 | -169.3 | 174.6 | 0 | 110.6 | D164 T166 V168 Q215 | D164-K213 VanDerWaalsContact C-CD 3.4Å; D164-K213 WeakPolarHBondContact O-CD 3.4Å; D164-K213 PolarHBondContact O-NZ 3.33Å; D164-K213 VanDerWaalsContact O-NZ 3.11Å; T166-K213 CarbonylContact O-C 3.44Å; T166-K213 VanDerWaalsContact O-CA 3.24Å; T166-K213 WeakPolarHBondContact O-CA 3.48Å; T166-K213 WeakPolarHBondContact O-CB 3.48Å; V168-K213 VanDerWaalsContact CG2-C 3.44Å; K213-Q215 PolarHBondContact O-N 3.29Å |
| 214 | F | 84.2 | Confident | 82.2 | Confident | 3 Ų | 3 | 72.1 Ų | 72.1 | 1% | 0.013 | 36% | 0.355 | C | S | . | . | trans | -59 | 125.7 | 176.1 | -87.3 | -96.4 | 0 | 0 | 0 | 109.4 | Y160 A161 E163 D164 T166 S167 V168 D199 E202 V216 I218 | Y160-F214 HydrophobicContact CE1-CE1 4.49Å; Y160-F214 HydrophobicContact CE1-CZ 4.15Å; A161-F214 HydrophobicContact CB-CB 4.13Å; A161-F214 HydrophobicContact CB-CD1 3.58Å; A161-F214 HydrophobicContact CB-CD2 3.77Å; A161-F214 HydrophobicContact CB-CE1 3.84Å; A161-F214 HydrophobicContact CB-CE2 4.02Å; A161-F214 HydrophobicContact CB-CG 3.54Å; A161-F214 HydrophobicContact CB-CZ 4.06Å; E163-F214 CarbonylContact C-O 3.58Å; E163-F214 VanDerWaalsContact CA-O 3.29Å; E163-F214 WeakPolarHBondContact CA-O 3.31Å; D164-F214 PolarHBondContact N-O 3.18Å; T166-F214 HydrophobicContact CG2-CD2 3.87Å; T166-F214 HydrophobicContact CG2-CE2 4.07Å; T166-F214 WeakPolarHBondContact O-CD2 3.4Å; T166-F214 PolarHBondContact O-N 2.99Å; S167-F214 WeakPolarHBondContact O-CE2 3.38Å; V168-F214 HydrophobicContact CB-CE2 4.43Å; V168-F214 HydrophobicContact CG2-CB 4.48Å; V168-F214 HydrophobicContact CG2-CD2 3.6Å; V168-F214 HydrophobicContact CG2-CE2 3.89Å; V168-F214 HydrophobicContact CG2-CG 3.99Å; V168-F214 HydrophobicContact CG2-CZ 4.49Å; D199-F214 HydrophobicContact CB-CE1 4.15Å; D199-F214 HydrophobicContact CB-CZ 3.93Å; E202-F214 HydrophobicContact CB-CE1 4.37Å; E202-F214 HydrophobicContact CG-CD1 3.89Å; E202-F214 HydrophobicContact CG-CE1 3.68Å; E202-F214 HydrophobicContact CG-CZ 4.24Å; F214-V216 VanDerWaalsContact C-N 3.27Å; F214-I218 HydrophobicContact CD1-CD1 4.28Å; F214-I218 HydrophobicContact CE1-CD1 4.02Å | ||
| 215 | Q | 85.9 | Confident | 82.7 | Confident | 121 Ų | 121 | 67 Ų | 67 | 57% | 0.565 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -81.9 | -11.5 | 176 | -61.2 | 179.9 | 17.7 | 0 | 0 | 112 | E163 Y184 K213 | E163-Q215 WeakPolarHBondContact CG-O 3.32Å; Y184-Q215 WeakPolarHBondContact CD2-O 3.38Å; Y184-Q215 WeakPolarHBondContact CE2-O 3.41Å; K213-Q215 PolarHBondContact O-N 3.29Å |
| 216 | V | 88.6 | Confident | 83.5 | Confident | 21 Ų | 21 | 63.7 Ų | 63.7 | 13% | 0.127 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -126.5 | 151.1 | -178.5 | -63.9 | 0 | 0 | 0 | 0 | 110.5 | V182 Y184 L189 F214 I218 | V182-V216 HydrophobicContact CG1-CB 3.89Å; V182-V216 HydrophobicContact CG1-CG1 4.33Å; V182-V216 HydrophobicContact CG1-CG2 3.82Å; Y184-V216 HydrophobicContact CD2-CG1 4.25Å; L189-V216 HydrophobicContact CD1-CG1 4Å; F214-V216 VanDerWaalsContact C-N 3.27Å; V216-I218 HydrophobicContact CG2-CD1 4.41Å; V216-I218 HydrophobicContact CG2-CG1 4.15Å |
| 217 | T | 92.9 | Very high | 84.5 | Confident | 33 Ų | 33 | 63.3 Ų | 63.3 | 20% | 0.202 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 126.5 | 171.6 | -63 | 0 | 0 | 0 | 0 | 109.7 | A161 E163 S183 V219 | A161-T217 WeakPolarHBondContact O-CA 3.28Å; E163-T217 VanDerWaalsContact CB-OG1 3.23Å; E163-T217 WeakPolarHBondContact CB-OG1 3.32Å; E163-T217 PolarHBondContact N-OG1 2.89Å; E163-T217 VanDerWaalsContact N-OG1 3.09Å; S183-T217 PolarHBondContact N-O 3.44Å; S183-T217 PolarHBondContact O-N 3.39Å; S183-T217 PolarHBondContact OG-O 3.46Å; T217-V219 HydrophobicContact CG2-CG2 3.81Å |
| 218 | I | 95.1 | Very high | 85.9 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 119.1 | 180 | -53.1 | 177.1 | 0 | 0 | 0 | 108.5 | A159 Y160 A161 M180 K181 V182 I192 I198 F214 V216 | A159-I218 CarbonylContact C-O 3.56Å; A159-I218 WeakPolarHBondContact CA-O 3.4Å; Y160-I218 HydrophobicContact CD1-CB 4.34Å; Y160-I218 HydrophobicContact CD1-CD1 4.19Å; Y160-I218 HydrophobicContact CD1-CG2 4.41Å; Y160-I218 PolarHBondContact N-O 2.88Å; A161-I218 PolarHBondContact N-O 3.17Å; A161-I218 PolarHBondContact O-N 2.87Å; M180-I218 HydrophobicContact CB-CG2 4.15Å; M180-I218 HydrophobicContact SD-CG2 4.18Å; K181-I218 WeakPolarHBondContact O-CA 3.37Å; V182-I218 HydrophobicContact CG1-CG1 4.41Å; V182-I218 HydrophobicContact CG2-CG1 4.32Å; I192-I218 HydrophobicContact CD1-CG2 4.37Å; I198-I218 HydrophobicContact CG2-CD1 3.98Å; I198-I218 HydrophobicContact CG2-CG2 4.25Å; F214-I218 HydrophobicContact CD1-CD1 4.28Å; F214-I218 HydrophobicContact CE1-CD1 4.02Å; V216-I218 HydrophobicContact CG2-CD1 4.41Å; V216-I218 HydrophobicContact CG2-CG1 4.15Å |
| 219 | V | 96.1 | Very high | 87.4 | Confident | 40 Ų | 40 | 53.1 Ų | 53.1 | 24% | 0.242 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 140.3 | -176.1 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | A159 M180 K181 T217 E221 | A159-V219 HydrophobicContact CB-CG2 4.35Å; M180-V219 CarbonylContact C-O 3.55Å; M180-V219 WeakPolarHBondContact CA-O 3.19Å; K181-V219 PolarHBondContact N-O 3.44Å; K181-V219 PolarHBondContact O-N 3.34Å; T217-V219 HydrophobicContact CG2-CG2 3.81Å; V219-E221 PolarHBondContact O-N 3.41Å |
| 220 | A | 96.9 | Very high | 88.7 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 117.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L154 K155 G157 Q158 E222 C224 | L154-A220 HydrophobicContact CB-CB 4.41Å; L154-A220 HydrophobicContact CD2-CB 3.8Å; L154-A220 HydrophobicContact CG-CB 3.95Å; K155-A220 WeakPolarHBondContact O-CB 3.46Å; G157-A220 PolarHBondContact N-O 3.43Å; Q158-A220 PolarHBondContact O-N 3.46Å; A220-E222 WeakPolarHBondContact CB-O 3.25Å; A220-C224 HydrophobicContact CB-CB 4.5Å |
| 221 | E | 94.8 | Very high | 89.9 | Confident | 75 Ų | 75 | 41 Ų | 41 | 35% | 0.35 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -80.6 | -25.9 | 172.9 | -168.4 | 176.6 | -168.2 | 0 | 0 | 111.3 | K156 K179 V219 | K156-E221 WeakPolarHBondContact CD-O 3.37Å; K156-E221 WeakPolarHBondContact CE-O 3.45Å; K156-E221 VanDerWaalsContact CG-O 3.24Å; K156-E221 WeakPolarHBondContact CG-O 3.46Å; K179-E221 WeakPolarHBondContact CD-OE2 3.48Å; K179-E221 WeakPolarHBondContact CE-OE2 3.45Å; K179-E221 IonicContact NZ-OE1 3.45Å; K179-E221 IonicContact NZ-OE2 2.78Å; K179-E221 PolarHBondContact NZ-OE2 2.88Å; K179-E221 WeakPolarHBondContact O-CB 3.47Å; K179-E221 PolarHBondContact O-N 2.99Å; V219-E221 PolarHBondContact O-N 3.41Å |
| 222 | E | 95.4 | Very high | 90.8 | Very high | 102 Ų | 102 | 43.9 Ų | 43.9 | 48% | 0.477 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -131.3 | 178.4 | 177.7 | -64.1 | -177.8 | 177 | 0 | 0 | 111 | K179 A220 C224 | K179-E222 HydrophobicContact CB-CG 4.38Å; K179-E222 PolarHBondContact O-N 3.28Å; A220-E222 WeakPolarHBondContact CB-O 3.25Å; E222-C224 PolarHBondContact O-N 2.88Å; E222-C224 VanDerWaalsContact O-N 3.07Å; E222-C224 PolarHBondContact O-SG 3.28Å; E222-C224 VanDerWaalsContact O-SG 3.37Å |
| 223 | N | 94.7 | Very high | 91.2 | Very high | 114 Ų | 114 | 48.5 Ų | 48.5 | 61% | 0.61 | 23% | 0.233 | S | C | * | . | trans | -69 | 108 | 168.9 | -69.2 | -29.7 | 0 | 0 | 0 | 109.2 | L154 K156 | L154-N223 CarbonylContact O-C 3.55Å; K156-N223 PolarHBondContact N-OD1 3.26Å; K156-N223 VanDerWaalsContact N-OD1 3.1Å | ||
| 224 | C | 94.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 148.3 | -174.9 | -67.8 | 0 | 0 | 0 | 0 | 111.6 | T153 L154 L175 K177 K179 M180 A220 E222 | T153-C224 CarbonylContact C-O 3.45Å; T153-C224 WeakPolarHBondContact CA-O 3.29Å; L154-C224 HydrophobicContact CB-CB 4.3Å; L154-C224 PolarHBondContact N-O 3.48Å; L154-C224 PolarHBondContact O-N 3.32Å; L175-C224 HydrophobicContact CD1-CB 3.95Å; K177-C224 CarbonylContact O-C 3.54Å; K177-C224 WeakPolarHBondContact O-CA 3.32Å; K179-C224 PolarHBondContact N-SG 3.47Å; K179-C224 VanDerWaalsContact N-SG 3.44Å; K179-C224 PolarHBondContact O-SG 3.39Å; M180-C224 HydrophobicContact CE-CB 3.73Å; A220-C224 HydrophobicContact CB-CB 4.5Å; E222-C224 PolarHBondContact O-N 2.88Å; E222-C224 VanDerWaalsContact O-N 3.07Å; E222-C224 PolarHBondContact O-SG 3.28Å; E222-C224 VanDerWaalsContact O-SG 3.37Å |
| 225 | K | 93.2 | Very high | 91.7 | Very high | 64 Ų | 64 | 45.5 Ų | 45.5 | 28% | 0.278 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 136.1 | 163.7 | -66.8 | -174.6 | 171.2 | 179.2 | 0 | 108.4 | E122 Q152 T153 L176 K177 | E122-K225 WeakPolarHBondContact OE1-CD 3.37Å; E122-K225 IonicContact OE1-NZ 3.54Å; E122-K225 PolarHBondContact OE1-NZ 2.83Å; E122-K225 WeakPolarHBondContact OE2-CD 3.49Å; E122-K225 IonicContact OE2-NZ 2.69Å; Q152-K225 WeakPolarHBondContact O-CA 3.41Å; T153-K225 HydrophobicContact CG2-CD 4.35Å; T153-K225 HydrophobicContact CG2-CG 3.82Å; L176-K225 WeakPolarHBondContact CA-O 3.39Å; L176-K225 HydrophobicContact CB-CB 4.45Å; L176-K225 WeakPolarHBondContact CB-O 3.21Å; L176-K225 PolarHBondContact N-O 3.27Å; K177-K225 HydrophobicContact CB-CB 4.21Å; K177-K225 PolarHBondContact N-O 2.96Å; K177-K225 PolarHBondContact O-N 2.83Å |
| 226 | F | 92.9 | Very high | 91.9 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 2% | 0.022 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 149.7 | -179.1 | 63.4 | -87.5 | 0 | 0 | 0 | 111 | Q152 L154 Y160 I174 L175 M180 I198 C228 | Q152-F226 HydrophobicContact CB-CD1 4.47Å; Q152-F226 HydrophobicContact CB-CD2 4.34Å; Q152-F226 HydrophobicContact CB-CE1 3.86Å; Q152-F226 HydrophobicContact CB-CE2 3.71Å; Q152-F226 HydrophobicContact CB-CZ 3.44Å; Q152-F226 VanDerWaalsContact CB-CZ 3.44Å; Q152-F226 HydrophobicContact CG-CE2 4.36Å; Q152-F226 HydrophobicContact CG-CZ 4.35Å; Q152-F226 PolarHBondContact N-O 2.79Å; Q152-F226 PolarHBondContact O-N 3.49Å; L154-F226 HydrophobicContact CB-CE1 4.17Å; Y160-F226 HydrophobicContact CD2-CE1 4.13Å; Y160-F226 HydrophobicContact CD2-CE2 4.11Å; Y160-F226 AromaticContact CD2-CZ 3.84Å; Y160-F226 HydrophobicContact CD2-CZ 3.84Å; Y160-F226 HydrophobicContact CE2-CD2 4.07Å; Y160-F226 HydrophobicContact CE2-CE1 4.44Å; Y160-F226 AromaticContact CE2-CE2 3.6Å; Y160-F226 HydrophobicContact CE2-CE2 3.6Å; Y160-F226 AromaticContact CE2-CZ 3.81Å; Y160-F226 HydrophobicContact CE2-CZ 3.81Å; I174-F226 CarbonylContact O-C 3.4Å; I174-F226 VanDerWaalsContact O-CA 3.26Å; I174-F226 WeakPolarHBondContact O-CA 3.4Å; I174-F226 WeakPolarHBondContact O-CB 3.48Å; L175-F226 HydrophobicContact CD1-CB 4.36Å; M180-F226 HydrophobicContact CE-CD1 4.04Å; I198-F226 HydrophobicContact CD1-CB 3.68Å; I198-F226 HydrophobicContact CD1-CD2 4.34Å; I198-F226 HydrophobicContact CD1-CG 3.99Å; F226-C228 HydrophobicContact CD2-CB 4.17Å; F226-C228 HydrophobicContact CE2-CB 4.05Å |
| 227 | L | 91.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 133.5 | 173.8 | -171 | 68.3 | 0 | 0 | 0 | 107.8 | L123 T145 C149 I151 S173 I174 L176 W229 | L123-L227 HydrophobicContact CD1-CD1 4.14Å; L123-L227 HydrophobicContact CD2-CD1 4.17Å; L123-L227 HydrophobicContact CG-CD1 4.26Å; T145-L227 HydrophobicContact CG2-CD2 4.26Å; C149-L227 HydrophobicContact CB-CD1 4.25Å; C149-L227 WeakPolarHBondContact SG-CD1 3.28Å; C149-L227 WeakPolarHBondContact SG-CG 3.4Å; I151-L227 HydrophobicContact CG1-CD1 4Å; S173-L227 CarbonylContact C-O 3.56Å; S173-L227 WeakPolarHBondContact CA-O 3.32Å; S173-L227 VanDerWaalsContact CB-O 3.23Å; S173-L227 WeakPolarHBondContact CB-O 3.4Å; I174-L227 HydrophobicContact CB-CB 4.42Å; I174-L227 PolarHBondContact N-O 2.98Å; I174-L227 PolarHBondContact O-N 3.28Å; L176-L227 HydrophobicContact CD1-CB 4.19Å; L176-L227 HydrophobicContact CD2-CB 3.98Å; L176-L227 HydrophobicContact CG-CB 4.09Å; L227-W229 HydrophobicContact CD2-CH2 3.33Å; L227-W229 HydrophobicContact CD2-CZ2 3.38Å; L227-W229 HydrophobicContact CD2-CZ3 4.02Å; L227-W229 HydrophobicContact CG-CH2 4.17Å; L227-W229 HydrophobicContact CG-CZ2 4.13Å; L227-W229 HydrophobicContact CG-CZ3 4.46Å |
| 228 | C | 91 | Very high | 91.8 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 5% | 0.054 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 120.8 | -175.7 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | C149 T150 R171 F226 | C149-C228 PolarHBondContact SG-O 3.2Å; C149-C228 VanDerWaalsContact SG-O 3.37Å; T150-C228 PolarHBondContact N-O 3.08Å; T150-C228 PolarHBondContact O-N 3.06Å; T150-C228 PolarHBondContact OG1-O 3.45Å; R171-C228 WeakPolarHBondContact CD-SG 3.4Å; F226-C228 HydrophobicContact CD2-CB 4.17Å; F226-C228 HydrophobicContact CE2-CB 4.05Å |
| 229 | W | 91.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 142.6 | 170 | -65.3 | -80.2 | 0 | 0 | 0 | 110.6 | L144 T145 C149 R171 L172 I174 L227 L234 F248 | L144-W229 HydrophobicContact CD2-CZ2 4.12Å; L144-W229 HydrophobicContact CG-CZ2 4.25Å; L144-W229 PolarHBondContact O-NE1 2.86Å; T145-W229 HydrophobicContact CG2-CZ2 4.19Å; C149-W229 VanDerWaalsContact SG-CD1 3.5Å; C149-W229 VanDerWaalsContact SG-CE2 3.58Å; C149-W229 PolarHBondContact SG-NE1 3.5Å; R171-W229 CarbonylContact C-O 3.52Å; R171-W229 WeakPolarHBondContact CA-O 3.12Å; R171-W229 VanDerWaalsContact CB-O 3.25Å; R171-W229 WeakPolarHBondContact CB-O 3.46Å; L172-W229 PolarHBondContact N-O 3.19Å; L172-W229 PolarHBondContact O-N 3.47Å; I174-W229 HydrophobicContact CD1-CH2 3.58Å; I174-W229 HydrophobicContact CD1-CZ3 3.55Å; I174-W229 HydrophobicContact CG1-CH2 4.31Å; I174-W229 HydrophobicContact CG1-CZ3 3.82Å; L227-W229 HydrophobicContact CD2-CH2 3.33Å; L227-W229 HydrophobicContact CD2-CZ2 3.38Å; L227-W229 HydrophobicContact CD2-CZ3 4.02Å; L227-W229 HydrophobicContact CG-CH2 4.17Å; L227-W229 HydrophobicContact CG-CZ2 4.13Å; L227-W229 HydrophobicContact CG-CZ3 4.46Å; W229-L234 HydrophobicContact CB-CB 4.12Å; W229-L234 HydrophobicContact CB-CD2 4.09Å; W229-L234 HydrophobicContact CG-CD1 4.33Å; W229-L234 HydrophobicContact CG-CD2 4.4Å; W229-F248 HydrophobicContact CH2-CZ 4.3Å |
| 230 | S | 88.9 | Confident | 91.3 | Very high | 41 Ų | 41 | 54.8 Ų | 54.8 | 29% | 0.287 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 132.4 | 163.7 | 163.6 | 0 | 0 | 0 | 0 | 109 | E232 R233 L234 | S230-E232 VanDerWaalsContact C-N 3.34Å; S230-E232 PolarHBondContact O-N 3.3Å; S230-R233 PolarHBondContact O-N 3.02Å; S230-L234 VanDerWaalsContact O-CB 3.31Å; S230-L234 WeakPolarHBondContact O-CB 3.44Å; S230-L234 PolarHBondContact O-N 2.91Å |
| 231 | R | 87.4 | Confident | 91 | Very high | 14 Ų | 14 | 56.6 Ų | 56.6 | 5% | 0.053 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.4 | -50.1 | 179.4 | 176 | 178.6 | -63.9 | -123.3 | 12.1 | 111.6 | V168 D169 E170 F203 T206 R233 L234 T235 | V168-R231 PolarHBondContact O-NH2 3.26Å; D169-R231 WeakPolarHBondContact O-CB 3.14Å; D169-R231 VanDerWaalsContact O-CD 3.31Å; D169-R231 WeakPolarHBondContact O-CD 3.25Å; D169-R231 PolarHBondContact O-NE 2.75Å; E170-R231 PolarHBondContact O-N 2.87Å; E170-R231 VanDerWaalsContact O-N 3.11Å; F203-R231 HydrophobicContact CE2-CB 4.4Å; F203-R231 HydrophobicContact CE2-CG 3.94Å; F203-R231 PolarHBondContact O-NH1 2.99Å; F203-R231 VanDerWaalsContact O-NH1 3.11Å; T206-R231 PolarHBondContact O-NH1 3.44Å; T206-R231 PolarHBondContact OG1-NH1 3.29Å; T206-R231 PolarHBondContact OG1-NH2 3.41Å; R231-R233 PolarHBondContact O-N 2.98Å; R231-L234 PolarHBondContact O-N 3.25Å; R231-T235 WeakPolarHBondContact O-CB 3.25Å; R231-T235 PolarHBondContact O-N 3.11Å; R231-T235 PolarHBondContact O-OG1 2.63Å |
| 232 | E | 87.2 | Confident | 90.8 | Very high | 114 Ų | 114 | 58.4 Ų | 58.4 | 53% | 0.533 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -49.6 | -56.2 | 179.3 | -75.6 | 178.5 | -171.8 | 0 | 0 | 112.8 | M208 S230 L234 T235 Y236 | M208-E232 HydrophobicContact CE-CB 4.37Å; M208-E232 HydrophobicContact CE-CG 3.08Å; M208-E232 VanDerWaalsContact CE-OE1 3.3Å; M208-E232 WeakPolarHBondContact CE-OE1 3.25Å; M208-E232 HydrophobicContact SD-CG 4.28Å; S230-E232 VanDerWaalsContact C-N 3.34Å; S230-E232 PolarHBondContact O-N 3.3Å; E232-L234 VanDerWaalsContact C-N 3.34Å; E232-L234 PolarHBondContact O-N 2.88Å; E232-T235 PolarHBondContact O-N 2.93Å; E232-Y236 WeakPolarHBondContact O-CB 3.26Å; E232-Y236 PolarHBondContact O-N 2.93Å |
| 233 | R | 87.6 | Confident | 90.7 | Very high | 146 Ų | 146 | 58 Ų | 58 | 55% | 0.551 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -70.2 | -36.3 | -174.3 | -64.6 | 176.6 | 171.9 | -170.2 | 0.6 | 111.3 | F148 S230 R231 F237 | F148-R233 HydrophobicContact CB-CB 3.97Å; F148-R233 HydrophobicContact CD1-CB 3.99Å; F148-R233 HydrophobicContact CD1-CG 4.28Å; F148-R233 HydrophobicContact CG-CB 4.04Å; S230-R233 PolarHBondContact O-N 3.02Å; R231-R233 PolarHBondContact O-N 2.98Å; R233-F237 WeakPolarHBondContact O-CB 3.29Å; R233-F237 PolarHBondContact O-N 2.76Å; R233-F237 VanDerWaalsContact O-N 3.08Å |
| 234 | L | 89.9 | Confident | 90.5 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66 | -49.8 | 176.9 | -178.8 | 62.5 | 0 | 0 | 0 | 110.8 | L144 L172 F203 W229 S230 R231 E232 Y236 F237 L238 F248 | L144-L234 HydrophobicContact CD1-CD1 3.67Å; L172-L234 HydrophobicContact CB-CD2 4.01Å; L172-L234 HydrophobicContact CD2-CD2 3.47Å; L172-L234 VanDerWaalsContact CD2-CD2 3.47Å; L172-L234 HydrophobicContact CG-CD2 4.35Å; F203-L234 HydrophobicContact CE2-CD2 4.38Å; F203-L234 HydrophobicContact CZ-CD2 4.25Å; W229-L234 HydrophobicContact CB-CB 4.12Å; W229-L234 HydrophobicContact CB-CD2 4.09Å; W229-L234 HydrophobicContact CG-CD1 4.33Å; W229-L234 HydrophobicContact CG-CD2 4.4Å; S230-L234 VanDerWaalsContact O-CB 3.31Å; S230-L234 WeakPolarHBondContact O-CB 3.44Å; S230-L234 PolarHBondContact O-N 2.91Å; R231-L234 PolarHBondContact O-N 3.25Å; E232-L234 VanDerWaalsContact C-N 3.34Å; E232-L234 PolarHBondContact O-N 2.88Å; L234-Y236 PolarHBondContact O-N 3.21Å; L234-F237 PolarHBondContact O-N 2.84Å; L234-L238 HydrophobicContact CD1-CD1 4.08Å; L234-L238 HydrophobicContact CD1-CD2 4.47Å; L234-L238 HydrophobicContact CD1-CG 4.09Å; L234-L238 HydrophobicContact CG-CD1 3.9Å; L234-L238 HydrophobicContact CG-CG 4.29Å; L234-L238 VanDerWaalsContact O-CG 3.28Å; L234-L238 WeakPolarHBondContact O-CG 3.29Å; L234-L238 PolarHBondContact O-N 2.8Å; L234-F248 HydrophobicContact CD1-CE1 4.18Å; L234-F248 HydrophobicContact CD1-CZ 4.22Å; L234-F248 HydrophobicContact CD2-CE1 4.16Å |
| 235 | T | 89.4 | Confident | 90.5 | Very high | 49 Ų | 49 | 54.3 Ų | 54.3 | 30% | 0.301 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 179.7 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | R231 E232 F237 L238 E239 | R231-T235 WeakPolarHBondContact O-CB 3.25Å; R231-T235 PolarHBondContact O-N 3.11Å; R231-T235 PolarHBondContact O-OG1 2.63Å; E232-T235 PolarHBondContact O-N 2.93Å; T235-F237 VanDerWaalsContact C-N 3.3Å; T235-F237 PolarHBondContact O-N 3.35Å; T235-L238 PolarHBondContact O-N 2.95Å; T235-L238 VanDerWaalsContact O-N 3.16Å; T235-E239 HydrophobicContact CG2-CG 4.49Å; T235-E239 WeakPolarHBondContact O-CG 3.12Å; T235-E239 PolarHBondContact O-N 3.47Å |
| 236 | Y | 89.8 | Confident | 90.5 | Very high | 172 Ų | 172 | 56.5 Ų | 56.5 | 68% | 0.675 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -57.7 | -41.8 | 176.2 | -178.3 | -97.8 | 0 | 0 | 0 | 112.7 | E232 L234 E239 S240 | E232-Y236 WeakPolarHBondContact O-CB 3.26Å; E232-Y236 PolarHBondContact O-N 2.93Å; L234-Y236 PolarHBondContact O-N 3.21Å; Y236-E239 PolarHBondContact O-N 3.49Å; Y236-S240 PolarHBondContact O-N 3.4Å |
| 237 | F | 89.2 | Confident | 90.6 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 5% | 0.048 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 177.4 | -172.6 | -100.2 | 0 | 0 | 0 | 112.3 | L140 R143 L144 F148 R233 L234 T235 S240 D241 L244 | L140-F237 HydrophobicContact CD1-CZ 4.24Å; R143-F237 HydrophobicContact CB-CZ 4.2Å; L144-F237 HydrophobicContact CB-CE1 3.92Å; L144-F237 HydrophobicContact CB-CZ 4.49Å; L144-F237 HydrophobicContact CD1-CD1 3.66Å; L144-F237 HydrophobicContact CD1-CE1 3.85Å; L144-F237 HydrophobicContact CG-CE1 4.5Å; F148-F237 HydrophobicContact CD2-CB 4.5Å; F148-F237 HydrophobicContact CD2-CD2 4.31Å; F148-F237 HydrophobicContact CD2-CG 4.5Å; F148-F237 HydrophobicContact CE2-CB 4.49Å; F148-F237 AromaticContact CE2-CD2 3.81Å; F148-F237 HydrophobicContact CE2-CD2 3.81Å; F148-F237 HydrophobicContact CE2-CE2 4.43Å; F148-F237 HydrophobicContact CE2-CG 4.39Å; R233-F237 WeakPolarHBondContact O-CB 3.29Å; R233-F237 PolarHBondContact O-N 2.76Å; R233-F237 VanDerWaalsContact O-N 3.08Å; L234-F237 PolarHBondContact O-N 2.84Å; T235-F237 VanDerWaalsContact C-N 3.3Å; T235-F237 PolarHBondContact O-N 3.35Å; F237-S240 PolarHBondContact O-N 2.87Å; F237-S240 PolarHBondContact O-OG 3.06Å; F237-D241 PolarHBondContact O-N 2.88Å; F237-L244 HydrophobicContact CD1-CD2 3.84Å; F237-L244 HydrophobicContact CE1-CD2 3.41Å; F237-L244 VanDerWaalsContact CE1-CD2 3.41Å |
| 238 | L | 90.9 | Very high | 90.6 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.2 | -33.4 | 176.9 | -65.5 | 176.8 | 0 | 0 | 0 | 112.1 | L234 T235 S240 D241 L244 N245 F248 | L234-L238 HydrophobicContact CD1-CD1 4.08Å; L234-L238 HydrophobicContact CD1-CD2 4.47Å; L234-L238 HydrophobicContact CD1-CG 4.09Å; L234-L238 HydrophobicContact CG-CD1 3.9Å; L234-L238 HydrophobicContact CG-CG 4.29Å; L234-L238 VanDerWaalsContact O-CG 3.28Å; L234-L238 WeakPolarHBondContact O-CG 3.29Å; L234-L238 PolarHBondContact O-N 2.8Å; T235-L238 PolarHBondContact O-N 2.95Å; T235-L238 VanDerWaalsContact O-N 3.16Å; L238-S240 VanDerWaalsContact C-N 3.25Å; L238-S240 PolarHBondContact O-N 3.33Å; L238-D241 CarbonylContact O-C 3.58Å; L238-D241 PolarHBondContact O-N 3.43Å; L238-L244 HydrophobicContact CD2-CB 4.2Å; L238-L244 HydrophobicContact CD2-CD2 3.88Å; L238-L244 HydrophobicContact CD2-CG 3.69Å; L238-N245 HydrophobicContact CB-CB 4.28Å; L238-N245 WeakPolarHBondContact O-CB 3.43Å; L238-F248 HydrophobicContact CD1-CB 4Å; L238-F248 HydrophobicContact CD1-CD1 4.1Å; L238-F248 HydrophobicContact CD1-CG 3.95Å; L238-F248 HydrophobicContact CD2-CB 4.17Å; L238-F248 HydrophobicContact CD2-CD2 3.59Å; L238-F248 HydrophobicContact CD2-CE2 4.1Å; L238-F248 HydrophobicContact CD2-CG 3.86Å |
| 239 | E | 90.3 | Very high | 90.7 | Very high | 134 Ų | 134 | 61.7 Ų | 61.7 | 63% | 0.626 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.8 | -32.1 | 173.2 | -75.4 | 175.8 | 179.5 | 0 | 0 | 112.2 | T235 Y236 D241 | T235-E239 HydrophobicContact CG2-CG 4.49Å; T235-E239 WeakPolarHBondContact O-CG 3.12Å; T235-E239 PolarHBondContact O-N 3.47Å; Y236-E239 PolarHBondContact O-N 3.49Å; E239-D241 VanDerWaalsContact C-N 3.33Å |
| 240 | S | 90.4 | Very high | 90.8 | Very high | 85 Ų | 85 | 67.5 Ų | 67.5 | 59% | 0.594 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -74 | -20.8 | 177.1 | 78.3 | 0 | 0 | 0 | 0 | 114.3 | Y236 F237 L238 | Y236-S240 PolarHBondContact O-N 3.4Å; F237-S240 PolarHBondContact O-N 2.87Å; F237-S240 PolarHBondContact O-OG 3.06Å; L238-S240 VanDerWaalsContact C-N 3.25Å; L238-S240 PolarHBondContact O-N 3.33Å |
| 241 | D | 89.6 | Confident | 91 | Very high | 39 Ų | 39 | 66 Ų | 66 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | trans | -131 | 99 | -177.5 | -170.5 | -39 | 0 | 0 | 0 | 110.8 | L140 F237 L238 E239 F243 L244 N245 | L140-D241 VanDerWaalsContact CD1-OD2 3.32Å; L140-D241 WeakPolarHBondContact CD1-OD2 3.43Å; L140-D241 WeakPolarHBondContact CD2-OD2 3.42Å; F237-D241 PolarHBondContact O-N 2.88Å; L238-D241 CarbonylContact O-C 3.58Å; L238-D241 PolarHBondContact O-N 3.43Å; E239-D241 VanDerWaalsContact C-N 3.33Å; D241-F243 VanDerWaalsContact C-N 3.29Å; D241-F243 PolarHBondContact O-N 3.14Å; D241-F243 WeakPolarHBondContact OD1-CB 3.19Å; D241-F243 PolarHBondContact OD1-N 3.48Å; D241-F243 VanDerWaalsContact OD1-N 3.12Å; D241-L244 HydrophobicContact CB-CB 4.07Å; D241-L244 PolarHBondContact O-N 2.71Å; D241-L244 PolarHBondContact OD1-N 2.97Å; D241-N245 WeakPolarHBondContact O-CB 3.12Å; D241-N245 PolarHBondContact O-N 3.34Å | ||
| 242 | T | 91.7 | Very high | 91.3 | Very high | 113 Ų | 113 | 65.8 Ų | 65.8 | 69% | 0.693 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.2 | -36 | -176.9 | 52.4 | 0 | 0 | 0 | 0 | 113 | N245 E246 | T242-N245 WeakPolarHBondContact O-CB 3.23Å; T242-N245 PolarHBondContact O-N 3.3Å; T242-E246 WeakPolarHBondContact O-CG 3.48Å; T242-E246 PolarHBondContact O-N 3.34Å; T242-E246 VanDerWaalsContact O-N 3.16Å |
| 243 | F | 92.3 | Very high | 91.6 | Very high | 92 Ų | 92 | 61.2 Ų | 61.2 | 40% | 0.404 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.2 | -47.6 | 178.8 | 167.7 | -103.4 | 0 | 0 | 0 | 110.7 | L134 V136 L140 D241 N245 E246 V247 | L134-F243 WeakPolarHBondContact O-CZ 3.4Å; V136-F243 HydrophobicContact CB-CE1 4.44Å; V136-F243 HydrophobicContact CG2-CE1 3.9Å; V136-F243 HydrophobicContact CG2-CZ 4.18Å; L140-F243 HydrophobicContact CD2-CD1 4.3Å; D241-F243 VanDerWaalsContact C-N 3.29Å; D241-F243 PolarHBondContact O-N 3.14Å; D241-F243 WeakPolarHBondContact OD1-CB 3.19Å; D241-F243 PolarHBondContact OD1-N 3.48Å; D241-F243 VanDerWaalsContact OD1-N 3.12Å; F243-N245 VanDerWaalsContact C-N 3.29Å; F243-N245 PolarHBondContact O-N 2.96Å; F243-E246 PolarHBondContact O-N 2.91Å; F243-V247 HydrophobicContact CD2-CG2 4.49Å; F243-V247 HydrophobicContact CE1-CG2 4.22Å; F243-V247 HydrophobicContact CE2-CG2 4.06Å; F243-V247 HydrophobicContact CZ-CG2 3.92Å; F243-V247 WeakPolarHBondContact O-CG2 3.48Å; F243-V247 PolarHBondContact O-N 3.3Å |
| 244 | L | 91.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.2 | -35.2 | 179.4 | -167.1 | 64.3 | 0 | 0 | 0 | 112 | V136 L140 L144 F237 L238 D241 V247 F248 | V136-L244 HydrophobicContact CG1-CD1 4.26Å; L140-L244 HydrophobicContact CD2-CB 4.26Å; L140-L244 HydrophobicContact CD2-CD1 4.23Å; L140-L244 HydrophobicContact CD2-CD2 4.45Å; L140-L244 HydrophobicContact CG-CD2 4.35Å; L144-L244 HydrophobicContact CD1-CD2 4.26Å; L144-L244 HydrophobicContact CD2-CD2 4.34Å; F237-L244 HydrophobicContact CD1-CD2 3.84Å; F237-L244 HydrophobicContact CE1-CD2 3.41Å; F237-L244 VanDerWaalsContact CE1-CD2 3.41Å; L238-L244 HydrophobicContact CD2-CB 4.2Å; L238-L244 HydrophobicContact CD2-CD2 3.88Å; L238-L244 HydrophobicContact CD2-CG 3.69Å; D241-L244 HydrophobicContact CB-CB 4.07Å; D241-L244 PolarHBondContact O-N 2.71Å; D241-L244 PolarHBondContact OD1-N 2.97Å; L244-V247 PolarHBondContact O-N 2.75Å; L244-F248 HydrophobicContact CD1-CD2 4.1Å; L244-F248 HydrophobicContact CD1-CE2 4.09Å; L244-F248 HydrophobicContact CG-CD2 3.99Å; L244-F248 HydrophobicContact CG-CE2 4.15Å; L244-F248 WeakPolarHBondContact O-CD2 3.49Å; L244-F248 PolarHBondContact O-N 3.39Å |
| 245 | N | 93.1 | Very high | 91.9 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 21% | 0.209 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.7 | -50.4 | 174.3 | -162.2 | -14.3 | 0 | 0 | 0 | 111.7 | L238 D241 T242 F243 V247 F248 K249 | L238-N245 HydrophobicContact CB-CB 4.28Å; L238-N245 WeakPolarHBondContact O-CB 3.43Å; D241-N245 WeakPolarHBondContact O-CB 3.12Å; D241-N245 PolarHBondContact O-N 3.34Å; T242-N245 WeakPolarHBondContact O-CB 3.23Å; T242-N245 PolarHBondContact O-N 3.3Å; F243-N245 VanDerWaalsContact C-N 3.29Å; F243-N245 PolarHBondContact O-N 2.96Å; N245-V247 VanDerWaalsContact C-N 3.34Å; N245-V247 PolarHBondContact O-N 3.5Å; N245-F248 PolarHBondContact O-N 3.32Å; N245-K249 WeakPolarHBondContact O-CG 3.05Å; N245-K249 PolarHBondContact O-N 2.99Å; N245-K249 VanDerWaalsContact OD1-CE 3.26Å; N245-K249 WeakPolarHBondContact OD1-CE 3.44Å |
| 246 | E | 94 | Very high | 92 | Very high | 110 Ų | 110 | 58.4 Ų | 58.4 | 51% | 0.514 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 177.7 | -68.2 | -52.3 | 128.5 | 0 | 0 | 112.2 | T242 F243 F248 K249 Y250 | T242-E246 WeakPolarHBondContact O-CG 3.48Å; T242-E246 PolarHBondContact O-N 3.34Å; T242-E246 VanDerWaalsContact O-N 3.16Å; F243-E246 PolarHBondContact O-N 2.91Å; E246-F248 VanDerWaalsContact C-N 3.35Å; E246-F248 PolarHBondContact O-N 3.41Å; E246-K249 PolarHBondContact O-N 3.21Å; E246-K249 IonicContact OE1-NZ 3.46Å; E246-K249 PolarHBondContact OE1-NZ 2.98Å; E246-Y250 WeakPolarHBondContact O-CB 3.07Å; E246-Y250 PolarHBondContact O-N 3.47Å |
| 247 | V | 94 | Very high | 92.1 | Very high | 11 Ų | 11 | 53.2 Ų | 53.2 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 173.2 | 166.2 | 0 | 0 | 0 | 0 | 111.4 | F131 L134 V136 F243 L244 N245 Y250 L251 | F131-V247 HydrophobicContact CD1-CG1 4.41Å; L134-V247 HydrophobicContact CB-CG1 4.39Å; L134-V247 HydrophobicContact CB-CG2 4.34Å; L134-V247 HydrophobicContact CD1-CG1 3.75Å; V136-V247 HydrophobicContact CG2-CB 4.46Å; V136-V247 HydrophobicContact CG2-CG1 3.88Å; V136-V247 HydrophobicContact CG2-CG2 4.06Å; F243-V247 HydrophobicContact CD2-CG2 4.49Å; F243-V247 HydrophobicContact CE1-CG2 4.22Å; F243-V247 HydrophobicContact CE2-CG2 4.06Å; F243-V247 HydrophobicContact CZ-CG2 3.92Å; F243-V247 WeakPolarHBondContact O-CG2 3.48Å; F243-V247 PolarHBondContact O-N 3.3Å; L244-V247 PolarHBondContact O-N 2.75Å; N245-V247 VanDerWaalsContact C-N 3.34Å; N245-V247 PolarHBondContact O-N 3.5Å; V247-Y250 PolarHBondContact O-N 3.4Å; V247-L251 HydrophobicContact CG1-CD1 3.82Å; V247-L251 HydrophobicContact CG1-CG 4.3Å; V247-L251 WeakPolarHBondContact O-CB 3.48Å; V247-L251 VanDerWaalsContact O-CG 3.28Å; V247-L251 WeakPolarHBondContact O-CG 3.06Å; V247-L251 PolarHBondContact O-N 2.99Å |
| 248 | F | 93.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65 | -44.2 | 178.1 | -99.9 | -100.9 | 0 | 0 | 0 | 112.3 | F131 L144 L172 W229 L234 L238 L244 N245 E246 Y250 L251 I252 | F131-F248 HydrophobicContact CE1-CD2 4.42Å; F131-F248 AromaticContact CE1-CE2 3.75Å; F131-F248 HydrophobicContact CE1-CE2 3.75Å; F131-F248 HydrophobicContact CE1-CZ 4.22Å; F131-F248 HydrophobicContact CZ-CE2 4.19Å; F131-F248 HydrophobicContact CZ-CZ 4.19Å; L144-F248 HydrophobicContact CD1-CZ 4.46Å; L144-F248 HydrophobicContact CD2-CE2 3.64Å; L144-F248 HydrophobicContact CD2-CZ 3.75Å; L172-F248 HydrophobicContact CD2-CD1 4.29Å; L172-F248 HydrophobicContact CD2-CE1 4.05Å; W229-F248 HydrophobicContact CH2-CZ 4.3Å; L234-F248 HydrophobicContact CD1-CE1 4.18Å; L234-F248 HydrophobicContact CD1-CZ 4.22Å; L234-F248 HydrophobicContact CD2-CE1 4.16Å; L238-F248 HydrophobicContact CD1-CB 4Å; L238-F248 HydrophobicContact CD1-CD1 4.1Å; L238-F248 HydrophobicContact CD1-CG 3.95Å; L238-F248 HydrophobicContact CD2-CB 4.17Å; L238-F248 HydrophobicContact CD2-CD2 3.59Å; L238-F248 HydrophobicContact CD2-CE2 4.1Å; L238-F248 HydrophobicContact CD2-CG 3.86Å; L244-F248 HydrophobicContact CD1-CD2 4.1Å; L244-F248 HydrophobicContact CD1-CE2 4.09Å; L244-F248 HydrophobicContact CG-CD2 3.99Å; L244-F248 HydrophobicContact CG-CE2 4.15Å; L244-F248 WeakPolarHBondContact O-CD2 3.49Å; L244-F248 PolarHBondContact O-N 3.39Å; N245-F248 PolarHBondContact O-N 3.32Å; E246-F248 VanDerWaalsContact C-N 3.35Å; E246-F248 PolarHBondContact O-N 3.41Å; F248-Y250 VanDerWaalsContact C-N 3.3Å; F248-Y250 PolarHBondContact O-N 3.2Å; F248-L251 PolarHBondContact O-N 3.2Å; F248-I252 HydrophobicContact CD1-CD1 4.35Å; F248-I252 WeakPolarHBondContact O-CB 3.26Å; F248-I252 VanDerWaalsContact O-CG1 3.3Å; F248-I252 WeakPolarHBondContact O-CG1 3.49Å; F248-I252 PolarHBondContact O-N 3.28Å |
| 249 | K | 91.8 | Very high | 92 | Very high | 111 Ų | 111 | 56.9 Ų | 56.9 | 48% | 0.483 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.3 | -46 | 174.3 | -72.2 | 174 | -173.1 | 166.6 | 0 | 111.3 | N245 E246 G253 | N245-K249 WeakPolarHBondContact O-CG 3.05Å; N245-K249 PolarHBondContact O-N 2.99Å; N245-K249 VanDerWaalsContact OD1-CE 3.26Å; N245-K249 WeakPolarHBondContact OD1-CE 3.44Å; E246-K249 PolarHBondContact O-N 3.21Å; E246-K249 IonicContact OE1-NZ 3.46Å; E246-K249 PolarHBondContact OE1-NZ 2.98Å; K249-G253 PolarHBondContact O-N 3.35Å |
| 250 | Y | 94.1 | Very high | 91.9 | Very high | 123 Ų | 123 | 55 Ų | 55 | 48% | 0.482 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 175.8 | 170 | -96.3 | 0 | 0 | 0 | 112 | L134 E246 V247 F248 G253 K254 | L134-Y250 HydrophobicContact CD1-CD1 3.7Å; L134-Y250 HydrophobicContact CD1-CE1 3.96Å; L134-Y250 HydrophobicContact CD2-CD1 3.98Å; L134-Y250 HydrophobicContact CD2-CE1 3.78Å; L134-Y250 HydrophobicContact CG-CE1 4.46Å; E246-Y250 WeakPolarHBondContact O-CB 3.07Å; E246-Y250 PolarHBondContact O-N 3.47Å; V247-Y250 PolarHBondContact O-N 3.4Å; F248-Y250 VanDerWaalsContact C-N 3.3Å; F248-Y250 PolarHBondContact O-N 3.2Å; Y250-G253 PolarHBondContact O-N 2.98Å; Y250-K254 HydrophobicContact CE1-CD 4.11Å; Y250-K254 VanDerWaalsContact O-CB 3.29Å; Y250-K254 WeakPolarHBondContact O-CB 3.2Å; Y250-K254 PolarHBondContact O-N 2.97Å |
| 251 | L | 93.9 | Very high | 91.6 | Very high | 9 Ų | 9 | 57.9 Ų | 57.9 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -44.7 | -178 | -76.4 | 175.4 | 0 | 0 | 0 | 112.3 | M130 F131 L134 F197 V247 F248 K254 D255 | M130-L251 HydrophobicContact CB-CD2 4.32Å; M130-L251 HydrophobicContact CE-CD2 4.23Å; F131-L251 HydrophobicContact CD1-CD1 4.1Å; F131-L251 HydrophobicContact CE1-CD1 3.67Å; F131-L251 HydrophobicContact CE2-CD1 4.48Å; F131-L251 HydrophobicContact CZ-CD1 3.89Å; L134-L251 HydrophobicContact CD1-CD1 4.23Å; L134-L251 HydrophobicContact CD1-CD2 3.67Å; L134-L251 HydrophobicContact CD1-CG 3.78Å; F197-L251 HydrophobicContact CE2-CB 4.04Å; F197-L251 HydrophobicContact CZ-CB 4.45Å; V247-L251 HydrophobicContact CG1-CD1 3.82Å; V247-L251 HydrophobicContact CG1-CG 4.3Å; V247-L251 WeakPolarHBondContact O-CB 3.48Å; V247-L251 VanDerWaalsContact O-CG 3.28Å; V247-L251 WeakPolarHBondContact O-CG 3.06Å; V247-L251 PolarHBondContact O-N 2.99Å; F248-L251 PolarHBondContact O-N 3.2Å; L251-K254 PolarHBondContact O-N 2.92Å; L251-D255 WeakPolarHBondContact O-CB 3.37Å; L251-D255 PolarHBondContact O-N 3.28Å |
| 252 | I | 93.1 | Very high | 91.1 | Very high | 11 Ų | 11 | 59 Ų | 59 | 6% | 0.056 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.3 | -46.6 | 176.3 | -68.9 | 164.5 | 0 | 0 | 0 | 110 | L172 F197 F203 R204 F248 K254 D255 I256 | L172-I252 HydrophobicContact CD2-CD1 4.29Å; F197-I252 HydrophobicContact CZ-CG1 4.33Å; F203-I252 HydrophobicContact CD1-CD1 3.71Å; F203-I252 HydrophobicContact CE1-CD1 3.78Å; R204-I252 HydrophobicContact CB-CG2 4.21Å; F248-I252 HydrophobicContact CD1-CD1 4.35Å; F248-I252 WeakPolarHBondContact O-CB 3.26Å; F248-I252 VanDerWaalsContact O-CG1 3.3Å; F248-I252 WeakPolarHBondContact O-CG1 3.49Å; F248-I252 PolarHBondContact O-N 3.28Å; I252-K254 VanDerWaalsContact C-N 3.34Å; I252-K254 PolarHBondContact O-N 3.01Å; I252-D255 PolarHBondContact O-N 2.93Å; I252-I256 HydrophobicContact CG2-CD1 3.72Å; I252-I256 HydrophobicContact CG2-CG1 4.39Å; I252-I256 VanDerWaalsContact O-CG1 3.3Å; I252-I256 WeakPolarHBondContact O-CG1 3Å; I252-I256 PolarHBondContact O-N 3.38Å |
| 253 | G | 92.6 | Very high | 90.4 | Very high | 17 Ų | 17 | 57.2 Ų | 57.2 | 18% | 0.175 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K249 Y250 T257 | K249-G253 PolarHBondContact O-N 3.35Å; Y250-G253 PolarHBondContact O-N 2.98Å; G253-T257 WeakPolarHBondContact O-CB 3.14Å; G253-T257 PolarHBondContact O-N 3.24Å; G253-T257 PolarHBondContact O-OG1 2.99Å |
| 254 | K | 92.5 | Very high | 89.4 | Confident | 102 Ų | 102 | 58 Ų | 58 | 44% | 0.443 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 174.8 | 176.9 | -179.9 | 174.4 | 176.6 | 0 | 111.6 | Y250 L251 I252 T257 N258 | Y250-K254 HydrophobicContact CE1-CD 4.11Å; Y250-K254 VanDerWaalsContact O-CB 3.29Å; Y250-K254 WeakPolarHBondContact O-CB 3.2Å; Y250-K254 PolarHBondContact O-N 2.97Å; L251-K254 PolarHBondContact O-N 2.92Å; I252-K254 VanDerWaalsContact C-N 3.34Å; I252-K254 PolarHBondContact O-N 3.01Å; K254-T257 PolarHBondContact O-N 3.43Å; K254-N258 VanDerWaalsContact O-CG 3.25Å; K254-N258 PolarHBondContact O-N 3.25Å; K254-N258 PolarHBondContact O-ND2 3.22Å |
| 255 | D | 93.3 | Very high | 88.2 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 7% | 0.07 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.4 | -46.4 | -179.1 | -173.1 | 92.5 | 0 | 0 | 0 | 112 | S196 F197 S200 L251 I252 T257 N258 K259 | S196-D255 PolarHBondContact OG-OD1 3.12Å; F197-D255 HydrophobicContact CD2-CB 3.92Å; F197-D255 PolarHBondContact N-OD1 3.35Å; S200-D255 PolarHBondContact OG-OD2 3.4Å; L251-D255 WeakPolarHBondContact O-CB 3.37Å; L251-D255 PolarHBondContact O-N 3.28Å; I252-D255 PolarHBondContact O-N 2.93Å; D255-T257 VanDerWaalsContact C-N 3.3Å; D255-T257 PolarHBondContact O-N 2.85Å; D255-N258 PolarHBondContact O-N 2.91Å; D255-K259 WeakPolarHBondContact O-CG 3.49Å; D255-K259 PolarHBondContact O-N 3.43Å; D255-K259 WeakPolarHBondContact OD2-CE 3.08Å; D255-K259 IonicContact OD2-NZ 3.67Å; D255-K259 PolarHBondContact OD2-NZ 3.47Å; D255-K259 VanDerWaalsContact OD2-NZ 3.13Å |
| 256 | I | 91.4 | Very high | 86.3 | Confident | 22 Ų | 22 | 63.8 Ų | 63.8 | 11% | 0.113 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.7 | -46.6 | 174.2 | -67 | 167.5 | 0 | 0 | 0 | 110.5 | P201 R204 I252 N258 K259 L260 | P201-I256 HydrophobicContact CG-CG1 4.33Å; R204-I256 HydrophobicContact CB-CD1 3.89Å; R204-I256 VanDerWaalsContact CD-CD1 3.44Å; R204-I256 HydrophobicContact CG-CD1 4.3Å; I252-I256 HydrophobicContact CG2-CD1 3.72Å; I252-I256 HydrophobicContact CG2-CG1 4.39Å; I252-I256 VanDerWaalsContact O-CG1 3.3Å; I252-I256 WeakPolarHBondContact O-CG1 3Å; I252-I256 PolarHBondContact O-N 3.38Å; I256-N258 VanDerWaalsContact C-N 3.34Å; I256-N258 PolarHBondContact O-N 3.22Å; I256-K259 PolarHBondContact O-N 3.44Å; I256-L260 HydrophobicContact CG2-CD1 4.04Å; I256-L260 HydrophobicContact CG2-CG 4.4Å; I256-L260 WeakPolarHBondContact O-CG 3.13Å; I256-L260 PolarHBondContact O-N 3.33Å |
| 257 | T | 91.1 | Very high | 84.3 | Confident | 63 Ų | 63 | 62.8 Ų | 62.8 | 39% | 0.387 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 179.6 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | G253 K254 D255 K259 L260 Y261 | G253-T257 WeakPolarHBondContact O-CB 3.14Å; G253-T257 PolarHBondContact O-N 3.24Å; G253-T257 PolarHBondContact O-OG1 2.99Å; K254-T257 PolarHBondContact O-N 3.43Å; D255-T257 VanDerWaalsContact C-N 3.3Å; D255-T257 PolarHBondContact O-N 2.85Å; T257-K259 PolarHBondContact O-N 2.07Å; T257-L260 PolarHBondContact O-N 3.33Å; T257-Y261 HydrophobicContact CG2-CD2 3.7Å; T257-Y261 HydrophobicContact CG2-CE2 3.45Å; T257-Y261 VanDerWaalsContact CG2-CE2 3.45Å; T257-Y261 WeakPolarHBondContact O-CD2 3.41Å; T257-Y261 PolarHBondContact O-N 3.15Å |
| 258 | N | 88.6 | Confident | 82.3 | Confident | 84 Ų | 84 | 66.5 Ų | 66.5 | 45% | 0.449 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 177 | -71.6 | -18.5 | 0 | 0 | 0 | 112.7 | K254 D255 I256 Y261 T262 | K254-N258 VanDerWaalsContact O-CG 3.25Å; K254-N258 PolarHBondContact O-N 3.25Å; K254-N258 PolarHBondContact O-ND2 3.22Å; D255-N258 PolarHBondContact O-N 2.91Å; I256-N258 VanDerWaalsContact C-N 3.34Å; I256-N258 PolarHBondContact O-N 3.22Å; N258-Y261 PolarHBondContact O-N 3.44Å; N258-T262 PolarHBondContact O-N 3.45Å; N258-T262 PolarHBondContact O-OG1 2.96Å |
| 259 | K | 90.3 | Very high | 80.1 | Confident | 16 Ų | 16 | 69.5 Ų | 69.5 | 7% | 0.07 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 174.8 | -71.9 | 174.2 | 176 | 174.4 | 0 | 111.2 | F197 I198 S200 P201 D255 I256 T257 Y261 T262 L263 | F197-K259 VanDerWaalsContact O-CE 3.32Å; F197-K259 WeakPolarHBondContact O-CE 3.35Å; F197-K259 PolarHBondContact O-NZ 3.4Å; I198-K259 PolarHBondContact O-NZ 2.97Å; I198-K259 VanDerWaalsContact O-NZ 3.12Å; S200-K259 PolarHBondContact OG-NZ 3.32Å; P201-K259 HydrophobicContact CG-CD 4.39Å; D255-K259 WeakPolarHBondContact O-CG 3.49Å; D255-K259 PolarHBondContact O-N 3.43Å; D255-K259 WeakPolarHBondContact OD2-CE 3.08Å; D255-K259 IonicContact OD2-NZ 3.67Å; D255-K259 PolarHBondContact OD2-NZ 3.47Å; D255-K259 VanDerWaalsContact OD2-NZ 3.13Å; I256-K259 PolarHBondContact O-N 3.44Å; T257-K259 PolarHBondContact O-N 2.07Å; K259-Y261 PolarHBondContact O-N 2.86Å; K259-T262 WeakPolarHBondContact O-CB 3.5Å; K259-T262 PolarHBondContact O-N 3.24Å; K259-L263 WeakPolarHBondContact O-CG 3.5Å; K259-L263 PolarHBondContact O-N 3.05Å; K259-L263 VanDerWaalsContact O-N 3.09Å |
| 260 | L | 86.8 | Confident | 77.9 | Confident | 94 Ų | 94 | 68.8 Ų | 68.8 | 49% | 0.492 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 176 | -71.1 | 174 | 0 | 0 | 0 | 112.6 | I256 T257 T262 L263 N264 | I256-L260 HydrophobicContact CG2-CD1 4.04Å; I256-L260 HydrophobicContact CG2-CG 4.4Å; I256-L260 WeakPolarHBondContact O-CG 3.13Å; I256-L260 PolarHBondContact O-N 3.33Å; T257-L260 PolarHBondContact O-N 3.33Å; L260-T262 VanDerWaalsContact C-N 3.3Å; L260-T262 PolarHBondContact O-N 3.18Å; L260-L263 PolarHBondContact O-N 2.89Å; L260-N264 WeakPolarHBondContact O-CB 3.35Å; L260-N264 PolarHBondContact O-N 2.8Å; L260-N264 VanDerWaalsContact O-N 3.09Å; L260-N264 PolarHBondContact O-ND2 3.46Å |
| 261 | Y | 83.9 | Confident | 75.4 | Confident | 145 Ų | 145 | 70.6 Ų | 70.6 | 57% | 0.569 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62.6 | -38.8 | 174.4 | -84.1 | -64.8 | 0 | 0 | 0 | 112.2 | T257 N258 K259 L263 N264 D265 | T257-Y261 HydrophobicContact CG2-CD2 3.7Å; T257-Y261 HydrophobicContact CG2-CE2 3.45Å; T257-Y261 VanDerWaalsContact CG2-CE2 3.45Å; T257-Y261 WeakPolarHBondContact O-CD2 3.41Å; T257-Y261 PolarHBondContact O-N 3.15Å; N258-Y261 PolarHBondContact O-N 3.44Å; K259-Y261 PolarHBondContact O-N 2.86Å; Y261-L263 VanDerWaalsContact C-N 3.29Å; Y261-L263 PolarHBondContact O-N 2.94Å; Y261-N264 PolarHBondContact O-N 3.03Å; Y261-D265 PolarHBondContact O-N 2.92Å |
| 262 | T | 80.6 | Confident | 73.2 | Confident | 62 Ų | 62 | 73.3 Ų | 73.3 | 38% | 0.38 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.5 | -33.4 | 177.9 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | H190 N258 K259 L260 | H190-T262 HydrophobicContact CB-CG2 3.89Å; N258-T262 PolarHBondContact O-N 3.45Å; N258-T262 PolarHBondContact O-OG1 2.96Å; K259-T262 WeakPolarHBondContact O-CB 3.5Å; K259-T262 PolarHBondContact O-N 3.24Å; L260-T262 VanDerWaalsContact C-N 3.3Å; L260-T262 PolarHBondContact O-N 3.18Å |
| 263 | L | 75.5 | Confident | 70.9 | Confident | 77 Ų | 77 | 77 Ų | 77 | 40% | 0.403 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -73.7 | -30.5 | 175.4 | -67.2 | 173 | 0 | 0 | 0 | 112.9 | L189 H190 K259 L260 Y261 | L189-L263 HydrophobicContact CB-CD2 3.85Å; L189-L263 HydrophobicContact CD2-CD2 4.17Å; L189-L263 HydrophobicContact CG-CD2 4.49Å; H190-L263 HydrophobicContact CB-CD2 4.36Å; K259-L263 WeakPolarHBondContact O-CG 3.5Å; K259-L263 PolarHBondContact O-N 3.05Å; K259-L263 VanDerWaalsContact O-N 3.09Å; L260-L263 PolarHBondContact O-N 2.89Å; Y261-L263 VanDerWaalsContact C-N 3.29Å; Y261-L263 PolarHBondContact O-N 2.94Å |
| 264 | N | 70.9 | Confident | 68.3 | Low | 109 Ų | 109 | 84.3 Ų | 84.3 | 58% | 0.583 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -90.5 | -1.2 | -176.9 | -75.6 | -34.1 | 0 | 0 | 0 | 114 | L260 Y261 P266 | L260-N264 WeakPolarHBondContact O-CB 3.35Å; L260-N264 PolarHBondContact O-N 2.8Å; L260-N264 VanDerWaalsContact O-N 3.09Å; L260-N264 PolarHBondContact O-ND2 3.46Å; Y261-N264 PolarHBondContact O-N 3.03Å; N264-P266 VanDerWaalsContact O-CD 3.23Å; N264-P266 WeakPolarHBondContact O-CD 3.33Å |
| 265 | D | 67.5 | Low | 65.7 | Low | 74 Ų | 74 | 89 Ų | 89 | 40% | 0.396 | 47% | 0.468 | S | S | . | . | trans | -71.7 | 112.4 | 179.2 | -162.7 | -35.2 | 0 | 0 | 0 | 110.5 | Y261 T267 L268 | Y261-D265 PolarHBondContact O-N 2.92Å; D265-T267 PolarHBondContact O-N 2.91Å; D265-T267 VanDerWaalsContact O-N 3.07Å; D265-T267 PolarHBondContact OD1-N 3.29Å; D265-T267 PolarHBondContact OD1-OG1 2.85Å; D265-L268 PolarHBondContact O-N 3.4Å | ||
| 266 | P | 53.7 | Low | 63.3 | Low | 86 Ų | 86 | 95 Ų | 95 | 56% | 0.558 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.6 | -14.2 | -173.1 | 25.4 | -33 | 0 | 0 | 0 | 113.5 | N264 L268 S269 D270 | N264-P266 VanDerWaalsContact O-CD 3.23Å; N264-P266 WeakPolarHBondContact O-CD 3.33Å; P266-L268 VanDerWaalsContact C-N 3.31Å; P266-L268 PolarHBondContact O-N 2.93Å; P266-S269 PolarHBondContact O-OG 3.41Å; P266-D270 PolarHBondContact O-N 3.34Å |
| 267 | T | 52 | Low | 60.7 | Low | 89 Ų | 89 | 101.2 Ų | 101.2 | 55% | 0.546 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -74.8 | -18.6 | 179.2 | 60.6 | 0 | 0 | 0 | 0 | 113.8 | D265 | D265-T267 PolarHBondContact O-N 2.91Å; D265-T267 VanDerWaalsContact O-N 3.07Å; D265-T267 PolarHBondContact OD1-N 3.29Å; D265-T267 PolarHBondContact OD1-OG1 2.85Å |
| 268 | L | 50.3 | Low | 58.2 | Low | 88 Ų | 88 | 109.3 Ų | 109.3 | 46% | 0.461 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -91.3 | -32.6 | 175.8 | -67.2 | 179.1 | 0 | 0 | 0 | 112.6 | D265 P266 D270 K271 A272 | D265-L268 PolarHBondContact O-N 3.4Å; P266-L268 VanDerWaalsContact C-N 3.31Å; P266-L268 PolarHBondContact O-N 2.93Å; L268-D270 VanDerWaalsContact C-N 3.31Å; L268-K271 PolarHBondContact O-N 3.09Å; L268-A272 PolarHBondContact O-N 2.97Å |
| 269 | S | 48.3 | Very low | 55.6 | Low | 65 Ų | 65 | 113.6 Ų | 113.6 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.4 | -37.5 | 170.9 | 64.6 | 0 | 0 | 0 | 0 | 110.9 | P266 K271 A272 V273 | P266-S269 PolarHBondContact O-OG 3.41Å; S269-K271 VanDerWaalsContact C-N 3.33Å; S269-K271 PolarHBondContact O-N 2.93Å; S269-A272 WeakPolarHBondContact O-CB 3.46Å; S269-A272 PolarHBondContact O-N 3.04Å; S269-A272 VanDerWaalsContact O-N 3.11Å; S269-V273 VanDerWaalsContact O-CG2 3.26Å; S269-V273 WeakPolarHBondContact O-CG2 3.29Å; S269-V273 PolarHBondContact O-N 3.31Å |
| 270 | D | 45.3 | Very low | 53.1 | Low | 95 Ų | 95 | 119.3 Ų | 119.3 | 51% | 0.508 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.8 | -30.8 | 178.3 | -109.2 | 2.1 | 0 | 0 | 0 | 114.1 | P266 L268 K274 | P266-D270 PolarHBondContact O-N 3.34Å; L268-D270 VanDerWaalsContact C-N 3.31Å; D270-K274 VanDerWaalsContact O-CB 3.32Å; D270-K274 WeakPolarHBondContact O-CB 3.32Å; D270-K274 PolarHBondContact O-N 3.5Å |
| 271 | K | 40.8 | Very low | 50.7 | Low | 161 Ų | 161 | 119.1 Ų | 119.1 | 70% | 0.7 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -77.2 | -26.2 | 174.2 | -73.5 | -171.3 | 179.1 | 179.4 | 0 | 112.9 | L268 S269 | L268-K271 PolarHBondContact O-N 3.09Å; S269-K271 VanDerWaalsContact C-N 3.33Å; S269-K271 PolarHBondContact O-N 2.93Å |
| 272 | A | 47.7 | Very low | 48.6 | Very low | 66 Ų | 66 | 120.5 Ų | 120.5 | 55% | 0.545 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -74.5 | -38.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111 | L268 S269 K275 | L268-A272 PolarHBondContact O-N 2.97Å; S269-A272 WeakPolarHBondContact O-CB 3.46Å; S269-A272 PolarHBondContact O-N 3.04Å; S269-A272 VanDerWaalsContact O-N 3.11Å; A272-K275 PolarHBondContact O-N 2.68Å |
| 273 | V | 45.1 | Very low | 46.7 | Very low | 89 Ų | 89 | 121.6 Ų | 121.6 | 54% | 0.539 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -69.5 | -40.1 | 176.1 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | S269 K275 M276 | S269-V273 VanDerWaalsContact O-CG2 3.26Å; S269-V273 WeakPolarHBondContact O-CG2 3.29Å; S269-V273 PolarHBondContact O-N 3.31Å; V273-K275 PolarHBondContact O-N 3.45Å; V273-M276 WeakPolarHBondContact O-CB 3.31Å; V273-M276 PolarHBondContact O-N 3.42Å |
| 274 | K | 37.9 | Very low | 44.9 | Very low | 170 Ų | 170 | 123.4 Ų | 123.4 | 74% | 0.739 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -15.6 | 175.7 | -88.4 | -178.2 | 173.9 | 174.7 | 0 | 115 | D270 M276 | D270-K274 VanDerWaalsContact O-CB 3.32Å; D270-K274 WeakPolarHBondContact O-CB 3.32Å; D270-K274 PolarHBondContact O-N 3.5Å; K274-M276 VanDerWaalsContact C-N 3.3Å |
| 275 | K | 38 | Very low | 43.5 | Very low | 201 Ų | 201 | 126.1 Ų | 126.1 | 87% | 0.874 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -0.7 | 171.4 | -124.1 | -174.7 | -177.9 | -173.4 | 0 | 112.9 | A272 V273 | A272-K275 PolarHBondContact O-N 2.68Å; V273-K275 PolarHBondContact O-N 3.45Å |
| 276 | M | 43.6 | Very low | 42.3 | Very low | 139 Ų | 139 | 128.1 Ų | 128.1 | 69% | 0.685 | 68% | 0.681 | S | S | * | * | trans | -111.1 | 22.2 | -174.3 | -134.7 | 167.3 | 83.4 | 0 | 0 | 113 | V273 K274 R278 | V273-M276 WeakPolarHBondContact O-CB 3.31Å; V273-M276 PolarHBondContact O-N 3.42Å; K274-M276 VanDerWaalsContact C-N 3.3Å; M276-R278 PolarHBondContact O-N 3.2Å | ||
| 277 | D | 37.3 | Very low | 42.3 | Very low | 153 Ų | 153 | 127 Ų | 127 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | trans | -78.1 | 68.7 | 164.9 | -101.6 | -26.9 | 0 | 0 | 0 | 110.3 | ||||
| 278 | R | 37.9 | Very low | 42.3 | Very low | 233 Ų | 233 | 129.8 Ų | 129.8 | 88% | 0.879 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -161.7 | 95.2 | 149.1 | -109.6 | 171.3 | -178.3 | 147.9 | 1.4 | 108.4 | M276 | M276-R278 PolarHBondContact O-N 3.2Š|
| 279 | Q | 34 | Very low | 42.2 | Very low | 174 Ų | 174 | 132.2 Ų | 132.2 | 81% | 0.813 | 70% | 0.695 | S | S | * | * | trans | 82.6 | 121.3 | 164.2 | -126.5 | 142.6 | -42.1 | 0 | 0 | 117.1 | S281 | Q279-S281 PolarHBondContact O-N 3.18Š| ||
| 280 | P | 36.8 | Very low | 42.3 | Very low | 135 Ų | 135 | 134 Ų | 134 | 88% | 0.877 | 70% | 0.696 | S | S | * | * | trans | -81.3 | 113.3 | -179.3 | 32 | -29.7 | 0 | 0 | 0 | 109.8 | ||||
| 281 | S | 36.5 | Very low | 42.5 | Very low | 90 Ų | 90 | 135.1 Ų | 135.1 | 63% | 0.629 | 70% | 0.699 | S | S | * | * | trans | -100.5 | 134.6 | 162.1 | 61.7 | 0 | 0 | 0 | 0 | 109.5 | Q279 C283 | Q279-S281 PolarHBondContact O-N 3.18Å; S281-C283 PolarHBondContact O-N 3.11Å | ||
| 282 | L | 39.9 | Very low | 43.2 | Very low | 174 Ų | 174 | 136.7 Ų | 136.7 | 91% | 0.911 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | 45.6 | -178.4 | -79.8 | 150.2 | 0 | 0 | 0 | 116.6 | ||
| 283 | C | 40.6 | Very low | 43.2 | Very low | 85 Ų | 85 | 138.6 Ų | 138.6 | 57% | 0.574 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | -3.9 | 179.2 | -144.1 | 0 | 0 | 0 | 0 | 113.3 | S281 Q285 | S281-C283 PolarHBondContact O-N 3.11Å; C283-Q285 PolarHBondContact O-N 2.97Å |
| 284 | S | 39.2 | Very low | 43.3 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -1.5 | 172 | 51.1 | 0 | 0 | 0 | 0 | 114 | ||
| 285 | Q | 41.8 | Very low | 44 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 78% | 0.776 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 5.2 | 175.1 | -71.3 | -151.6 | -16.7 | 0 | 0 | 114.8 | C283 S287 | C283-Q285 PolarHBondContact O-N 2.97Å; Q285-S287 PolarHBondContact O-N 3.09Å |
| 286 | L | 40.9 | Very low | 44.5 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 61% | 0.613 | 68% | 0.677 | S | S | * | * | trans | -73.5 | 77.3 | 165.2 | -98.8 | 136.4 | 0 | 0 | 0 | 109.6 | Q290 | L286-Q290 HydrophobicContact CD2-CB 3.93Å; L286-Q290 VanDerWaalsContact CG-OE1 3.29Å | ||
| 287 | S | 53.9 | Low | 44.5 | Very low | 61 Ų | 61 | 126.7 Ų | 126.7 | 43% | 0.427 | 67% | 0.674 | S | S | . | * | trans | -51.8 | 141.7 | 170.8 | 162.8 | 0 | 0 | 0 | 0 | 110.1 | Q285 M289 Q290 | Q285-S287 PolarHBondContact O-N 3.09Å; S287-M289 PolarHBondContact O-N 3.03Å; S287-M289 WeakPolarHBondContact OG-CB 3.19Å; S287-M289 PolarHBondContact OG-N 3.28Å; S287-Q290 PolarHBondContact O-N 3.43Å | ||
| 288 | M | 51.8 | Low | 44.9 | Very low | 149 Ų | 149 | 125.2 Ų | 125.2 | 73% | 0.734 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -51.4 | -15.8 | 171.9 | -69.5 | -161.5 | -77.3 | 0 | 0 | 113.7 | M291 R292 | M288-M291 PolarHBondContact O-N 2.88Å; M288-R292 WeakPolarHBondContact O-CB 3.5Å; M288-R292 PolarHBondContact O-N 3.07Å |
| 289 | M | 48 | Very low | 45.1 | Very low | 139 Ų | 139 | 117.5 Ų | 117.5 | 69% | 0.685 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -61.6 | -37.8 | 168.4 | -74.4 | 168.1 | 144.5 | 0 | 0 | 113.3 | S287 R292 N293 | S287-M289 PolarHBondContact O-N 3.03Å; S287-M289 WeakPolarHBondContact OG-CB 3.19Å; S287-M289 PolarHBondContact OG-N 3.28Å; M289-R292 PolarHBondContact O-N 3.31Å; M289-N293 VanDerWaalsContact O-CB 3.3Å; M289-N293 WeakPolarHBondContact O-CB 3.41Å; M289-N293 PolarHBondContact O-N 2.87Å; M289-N293 PolarHBondContact O-ND2 3.14Å; M289-N293 PolarHBondContact O-OD1 3.43Å |
| 290 | Q | 52.1 | Low | 45.7 | Very low | 102 Ų | 102 | 117.6 Ų | 117.6 | 48% | 0.477 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -71.7 | -31.8 | 176.6 | -81 | 172.1 | -44.7 | 0 | 0 | 112.2 | L286 S287 S294 | L286-Q290 HydrophobicContact CD2-CB 3.93Å; L286-Q290 VanDerWaalsContact CG-OE1 3.29Å; S287-Q290 PolarHBondContact O-N 3.43Å; Q290-S294 WeakPolarHBondContact O-CB 3.36Å; Q290-S294 PolarHBondContact O-N 2.92Å; Q290-S294 PolarHBondContact O-OG 3.48Å |
| 291 | M | 49.5 | Very low | 46.1 | Very low | 118 Ų | 118 | 114.8 Ų | 114.8 | 58% | 0.581 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71.9 | -38.6 | 173.8 | -159 | -166.8 | -68.2 | 0 | 0 | 111.5 | M288 S294 M295 | M288-M291 PolarHBondContact O-N 2.88Å; M291-S294 WeakPolarHBondContact CA-OG 3.14Å; M291-S294 PolarHBondContact O-OG 3.34Å; M291-S294 VanDerWaalsContact O-OG 3.1Å; M291-M295 WeakPolarHBondContact O-CG 3.4Å; M291-M295 PolarHBondContact O-N 2.82Å; M291-M295 VanDerWaalsContact O-N 3.16Å |
| 292 | R | 53.9 | Low | 46.3 | Very low | 195 Ų | 195 | 117.5 Ų | 117.5 | 74% | 0.736 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.3 | -37.7 | 174.1 | -163.4 | 173.4 | -172.2 | 150.4 | 0.6 | 112.3 | M288 M289 A296 | M288-R292 WeakPolarHBondContact O-CB 3.5Å; M288-R292 PolarHBondContact O-N 3.07Å; M289-R292 PolarHBondContact O-N 3.31Å; R292-A296 PolarHBondContact O-N 3.43Å |
| 293 | N | 48.7 | Very low | 46.5 | Very low | 106 Ų | 106 | 116 Ų | 116 | 57% | 0.567 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.1 | -36.5 | 176.7 | -72.6 | -5 | 0 | 0 | 0 | 112.5 | M289 A296 S297 | M289-N293 VanDerWaalsContact O-CB 3.3Å; M289-N293 WeakPolarHBondContact O-CB 3.41Å; M289-N293 PolarHBondContact O-N 2.87Å; M289-N293 PolarHBondContact O-ND2 3.14Å; M289-N293 PolarHBondContact O-OD1 3.43Å; N293-A296 CarbonylContact O-C 3.55Å; N293-A296 PolarHBondContact O-N 2.86Å; N293-S297 VanDerWaalsContact O-CB 3.27Å; N293-S297 WeakPolarHBondContact O-CB 3.29Å; N293-S297 PolarHBondContact O-N 3.44Å; N293-S297 PolarHBondContact O-OG 3.32Å |
| 294 | S | 47.2 | Very low | 46.6 | Very low | 62 Ų | 62 | 115.5 Ų | 115.5 | 43% | 0.434 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -71.7 | -29.4 | 176.9 | 42 | 0 | 0 | 0 | 0 | 113.3 | Q290 M291 S297 | Q290-S294 WeakPolarHBondContact O-CB 3.36Å; Q290-S294 PolarHBondContact O-N 2.92Å; Q290-S294 PolarHBondContact O-OG 3.48Å; M291-S294 WeakPolarHBondContact CA-OG 3.14Å; M291-S294 PolarHBondContact O-OG 3.34Å; M291-S294 VanDerWaalsContact O-OG 3.1Å; S294-S297 WeakPolarHBondContact CA-OG 3.38Å; S294-S297 PolarHBondContact O-OG 3.47Å |
| 295 | M | 51.8 | Low | 46.5 | Very low | 130 Ų | 130 | 116 Ų | 116 | 64% | 0.64 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -75.2 | -24.1 | 169.5 | -69.2 | -167.5 | -59.6 | 0 | 0 | 113.3 | M291 | M291-M295 WeakPolarHBondContact O-CG 3.4Å; M291-M295 PolarHBondContact O-N 2.82Å; M291-M295 VanDerWaalsContact O-N 3.16Å |
| 296 | A | 50.2 | Low | 46.5 | Very low | 68 Ų | 68 | 114.1 Ų | 114.1 | 56% | 0.562 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -84.1 | -19.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | R292 N293 | R292-A296 PolarHBondContact O-N 3.43Å; N293-A296 CarbonylContact O-C 3.55Å; N293-A296 PolarHBondContact O-N 2.86Å |
| 297 | S | 43 | Very low | 46.5 | Very low | 88 Ų | 88 | 115.8 Ų | 115.8 | 62% | 0.615 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -98.6 | 15.5 | -174 | 75.7 | 0 | 0 | 0 | 0 | 114.7 | N293 S294 | N293-S297 VanDerWaalsContact O-CB 3.27Å; N293-S297 WeakPolarHBondContact O-CB 3.29Å; N293-S297 PolarHBondContact O-N 3.44Å; N293-S297 PolarHBondContact O-OG 3.32Å; S294-S297 WeakPolarHBondContact CA-OG 3.38Å; S294-S297 PolarHBondContact O-OG 3.47Å |
| 298 | T | 45 | Very low | 45.8 | Very low | 122 Ų | 122 | 118.9 Ų | 118.9 | 75% | 0.748 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -114.9 | 56.2 | 167.7 | 65.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 299 | S | 43 | Very low | 45.2 | Very low | 72 Ų | 72 | 118.7 Ų | 118.7 | 50% | 0.503 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -148.8 | 120.3 | 154.4 | 55.2 | 0 | 0 | 0 | 0 | 106 | T301 | S299-T301 PolarHBondContact O-N 3.42Å; S299-T301 PolarHBondContact O-OG1 2.98Å |
| 300 | D | 45.7 | Very low | 44.8 | Very low | 176 Ų | 176 | 123 Ų | 123 | 94% | 0.941 | 65% | 0.647 | S | S | * | * | trans | -50.2 | 100.3 | 169.3 | -68.5 | -47.6 | 0 | 0 | 0 | 109 | ||||
| 301 | T | 45 | Very low | 43.7 | Very low | 76 Ų | 76 | 121.3 Ų | 121.3 | 47% | 0.466 | 66% | 0.657 | S | S | . | * | trans | -136.5 | 61.6 | 175.9 | 49.7 | 0 | 0 | 0 | 0 | 109.7 | S299 V304 | S299-T301 PolarHBondContact O-N 3.42Å; S299-T301 PolarHBondContact O-OG1 2.98Å; T301-V304 HydrophobicContact CG2-CG2 4.26Å | ||
| 302 | D | 42.2 | Very low | 42.8 | Very low | 147 Ų | 147 | 119.5 Ų | 119.5 | 79% | 0.786 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -94.2 | -9.3 | 157.9 | -76.7 | -30.7 | 0 | 0 | 0 | 112.3 | ||
| 303 | D | 42.8 | Very low | 42.1 | Very low | 141 Ų | 141 | 116.4 Ų | 116.4 | 75% | 0.754 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -96.5 | -21.3 | 179.8 | -70.3 | -39.1 | 0 | 0 | 0 | 114.6 | ||
| 304 | V | 42.3 | Very low | 41.8 | Very low | 75 Ų | 75 | 116.2 Ų | 116.2 | 46% | 0.455 | 69% | 0.689 | S | S | . | * | S | Bend | trans | -84.8 | -30.5 | -176.7 | -179.5 | 0 | 0 | 0 | 0 | 112.3 | T301 N306 Q307 I308 | T301-V304 HydrophobicContact CG2-CG2 4.26Å; V304-N306 VanDerWaalsContact C-N 3.33Å; V304-N306 PolarHBondContact O-N 3.04Å; V304-Q307 PolarHBondContact O-N 3.17Å; V304-I308 HydrophobicContact CG1-CD1 3.91Å; V304-I308 HydrophobicContact CG1-CG1 4.47Å; V304-I308 WeakPolarHBondContact O-CG1 3.34Å; V304-I308 PolarHBondContact O-N 3.48Å |
| 305 | L | 38.2 | Very low | 41.1 | Very low | 127 Ų | 127 | 117 Ų | 117 | 67% | 0.665 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -69.8 | -31.3 | -177.9 | -153.1 | 82.4 | 0 | 0 | 0 | 112.3 | Q307 | L305-Q307 VanDerWaalsContact C-N 3.33Å |
| 306 | N | 41.1 | Very low | 40.5 | Very low | 125 Ų | 125 | 116.1 Ų | 116.1 | 67% | 0.668 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -76.1 | -20.7 | 175.4 | -82 | -34.2 | 0 | 0 | 0 | 113.3 | V304 | V304-N306 VanDerWaalsContact C-N 3.33Å; V304-N306 PolarHBondContact O-N 3.04Å |
| 307 | Q | 40.9 | Very low | 39.8 | Very low | 152 Ų | 152 | 117 Ų | 117 | 71% | 0.71 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -85.8 | -26.5 | 179.1 | -152.4 | 161.9 | 16.5 | 0 | 0 | 112.5 | V304 L305 R310 | V304-Q307 PolarHBondContact O-N 3.17Å; L305-Q307 VanDerWaalsContact C-N 3.33Å; Q307-R310 PolarHBondContact O-N 3.46Å |
| 308 | I | 38.6 | Very low | 39.5 | Very low | 127 Ų | 127 | 119.9 Ų | 119.9 | 65% | 0.651 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -78 | -25.8 | 178.1 | -65.9 | 170.8 | 0 | 0 | 0 | 112.4 | V304 R310 | V304-I308 HydrophobicContact CG1-CD1 3.91Å; V304-I308 HydrophobicContact CG1-CG1 4.47Å; V304-I308 WeakPolarHBondContact O-CG1 3.34Å; V304-I308 PolarHBondContact O-N 3.48Å; I308-R310 PolarHBondContact O-N 2.93Å |
| 309 | L | 40.4 | Very low | 39.1 | Very low | 144 Ų | 144 | 121.1 Ų | 121.1 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -8.1 | 175.3 | -75.5 | 168 | 0 | 0 | 0 | 113.6 | ||
| 310 | R | 39.2 | Very low | 38.6 | Very low | 231 Ų | 231 | 124.4 Ų | 124.4 | 87% | 0.872 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.6 | 67.2 | 175.6 | -82.7 | -174.7 | 160.2 | -176.4 | -4.1 | 112.2 | Q307 I308 | Q307-R310 PolarHBondContact O-N 3.46Å; I308-R310 PolarHBondContact O-N 2.93Å |
| 311 | G | 30.1 | Very low | 38 | Very low | 66 Ų | 66 | 124.7 Ų | 124.7 | 68% | 0.68 | 72% | 0.718 | S | S | * | * | trans | 110.7 | 140.4 | 144 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 312 | G | 29.4 | Very low | 37.6 | Very low | 79 Ų | 79 | 127.5 Ų | 127.5 | 81% | 0.814 | 73% | 0.729 | S | S | * | * | trans | 92.7 | 100 | 146 | 0 | 0 | 0 | 0 | 0 | 118 | A314 | G312-A314 PolarHBondContact O-N 3.31Š| ||
| 313 | S | 39.7 | Very low | 37.2 | Very low | 130 Ų | 130 | 124.5 Ų | 124.5 | 91% | 0.909 | 72% | 0.72 | S | S | * | * | trans | -3.1 | 110.2 | 150.4 | 174.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 314 | A | 41.6 | Very low | 36.8 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | trans | 175.9 | 114.9 | 134.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | G312 | G312-A314 PolarHBondContact O-N 3.31Š| ||
| 315 | G | 32.9 | Very low | 36.7 | Very low | 78 Ų | 78 | 125.4 Ų | 125.4 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | trans | 172.9 | 41.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 316 | S | 38.4 | Very low | 36.7 | Very low | 112 Ų | 112 | 124.1 Ų | 124.1 | 78% | 0.783 | 72% | 0.717 | S | S | * | * | trans | -117.4 | 89.1 | 174.2 | -174.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 317 | S | 36.1 | Very low | 36.3 | Very low | 86 Ų | 86 | 120.8 Ų | 120.8 | 60% | 0.601 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -159.2 | -21 | 169.1 | 47.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 318 | L | 37.3 | Very low | 36 | Very low | 150 Ų | 150 | 117 Ų | 117 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -93.3 | -30.6 | 178.3 | -88.7 | 138.7 | 0 | 0 | 0 | 114.6 | F320 | L318-F320 VanDerWaalsContact C-N 3.31Å; L318-F320 PolarHBondContact O-N 3.11Å |
| 319 | L | 36 | Very low | 36 | Very low | 148 Ų | 148 | 120.6 Ų | 120.6 | 78% | 0.775 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -74.5 | -19.4 | 177.4 | -97.1 | 149.2 | 0 | 0 | 0 | 113.5 | ||
| 320 | F | 32.5 | Very low | 35.7 | Very low | 140 Ų | 140 | 119.6 Ų | 119.6 | 61% | 0.614 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -74.3 | -30.3 | 179.2 | -160.7 | -99 | 0 | 0 | 0 | 112.8 | L318 N324 | L318-F320 VanDerWaalsContact C-N 3.31Å; L318-F320 PolarHBondContact O-N 3.11Å; F320-N324 PolarHBondContact O-N 3.32Å |
| 321 | W | 32.6 | Very low | 35.5 | Very low | 183 Ų | 183 | 116.1 Ų | 116.1 | 69% | 0.693 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -76.9 | -34.2 | -177.1 | -94.4 | 90.8 | 0 | 0 | 0 | 113.9 | ||
| 322 | I | 36.9 | Very low | 35.8 | Very low | 135 Ų | 135 | 118.6 Ų | 118.6 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -71.4 | -33.3 | -179.2 | -62.8 | 174.3 | 0 | 0 | 0 | 110.9 | T326 | I322-T326 PolarHBondContact O-OG1 3.23Å |
| 323 | S | 33.4 | Very low | 36.2 | Very low | 84 Ų | 84 | 120.7 Ų | 120.7 | 59% | 0.587 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -73.9 | -35 | 178.7 | -160.1 | 0 | 0 | 0 | 0 | 113.1 | M325 T326 | S323-M325 PolarHBondContact O-N 2.83Å; S323-T326 PolarHBondContact O-OG1 3.28Å |
| 324 | N | 34.5 | Very low | 35.8 | Very low | 94 Ų | 94 | 117.6 Ų | 117.6 | 50% | 0.503 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -75.1 | -24.4 | -176.2 | -110.7 | -3.5 | 0 | 0 | 0 | 114.4 | F320 A327 A328 | F320-N324 PolarHBondContact O-N 3.32Å; N324-A327 PolarHBondContact O-N 3.4Å; N324-A328 PolarHBondContact O-N 3.02Å |
| 325 | M | 39.9 | Very low | 35.4 | Very low | 140 Ų | 140 | 120.4 Ų | 120.4 | 69% | 0.69 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -78.3 | -23 | 177.4 | -81 | 179.5 | 73.9 | 0 | 0 | 113.7 | S323 | S323-M325 PolarHBondContact O-N 2.83Å |
| 326 | T | 38.3 | Very low | 35.3 | Very low | 101 Ų | 101 | 123.7 Ų | 123.7 | 62% | 0.62 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -73.8 | -28.8 | 170.6 | 25.6 | 0 | 0 | 0 | 0 | 112.8 | I322 S323 | I322-T326 PolarHBondContact O-OG1 3.23Å; S323-T326 PolarHBondContact O-OG1 3.28Å |
| 327 | A | 33.3 | Very low | 34.9 | Very low | 54 Ų | 54 | 125.2 Ų | 125.2 | 45% | 0.446 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -74.8 | -30.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | N324 R329 V330 | N324-A327 PolarHBondContact O-N 3.4Å; A327-R329 PolarHBondContact O-N 2.82Å; A327-V330 PolarHBondContact O-N 3.47Å |
| 328 | A | 34.8 | Very low | 34.7 | Very low | 74 Ų | 74 | 128.3 Ų | 128.3 | 61% | 0.612 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -10 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | N324 | N324-A328 PolarHBondContact O-N 3.02Š|
| 329 | R | 37.8 | Very low | 34.2 | Very low | 202 Ų | 202 | 129.9 Ų | 129.9 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -5.3 | 177.4 | -106.3 | -178.3 | 172.4 | -176.6 | -1.6 | 114.9 | A327 | A327-R329 PolarHBondContact O-N 2.82Š|
| 330 | V | 34.9 | Very low | 33.8 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 75% | 0.745 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -95 | -11.9 | -179.4 | -179.9 | 0 | 0 | 0 | 0 | 112.8 | A327 | A327-V330 PolarHBondContact O-N 3.47Š|
| 331 | L | 35 | Very low | 33.9 | Very low | 157 Ų | 157 | 126.6 Ų | 126.6 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -102.2 | 6 | -175 | -88.1 | 156.5 | 0 | 0 | 0 | 116.2 | ||
| 332 | T | 36.8 | Very low | 33.9 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 72% | 0.724 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -104.3 | 36.2 | 177.5 | 47.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 333 | S | 37.5 | Very low | 33.8 | Very low | 124 Ų | 124 | 131 Ų | 131 | 87% | 0.867 | 72% | 0.722 | S | S | * | * | trans | -149.4 | 84.2 | 162.6 | -81.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 334 | G | 30.8 | Very low | 33.8 | Very low | 65 Ų | 65 | 133.8 Ų | 133.8 | 67% | 0.67 | 74% | 0.735 | S | S | * | * | trans | -160.1 | 102.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | I336 | G334-I336 PolarHBondContact O-N 3.46Š| ||
| 335 | I | 34.3 | Very low | 33.7 | Very low | 160 Ų | 160 | 137 Ų | 137 | 82% | 0.821 | 75% | 0.752 | S | S | * | * | trans | -52.5 | 120.9 | 177.3 | -71.2 | 158 | 0 | 0 | 0 | 110 | I337 | I335-I337 HydrophobicContact CG2-CG1 4.08Å; I335-I337 PolarHBondContact O-N 2.85Å | ||
| 336 | I | 29.6 | Very low | 33.4 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | -85.1 | 102.5 | 172.4 | -64.2 | 173.9 | 0 | 0 | 0 | 107.8 | G334 I338 | G334-I336 PolarHBondContact O-N 3.46Å; I336-I338 HydrophobicContact CG2-CG1 3.92Å | ||
| 337 | I | 30.9 | Very low | 33.2 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | trans | -85.9 | 113.8 | 160.5 | -63.9 | 177.1 | 0 | 0 | 0 | 106.7 | I335 H339 | I335-I337 HydrophobicContact CG2-CG1 4.08Å; I335-I337 PolarHBondContact O-N 2.85Å; I337-H339 PolarHBondContact O-N 2.89Å | ||
| 338 | I | 30.7 | Very low | 33.1 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | trans | -78.4 | 113.7 | 176.2 | -58.8 | 175.3 | 0 | 0 | 0 | 108 | I336 | I336-I338 HydrophobicContact CG2-CG1 3.92Š| ||
| 339 | H | 27.6 | Very low | 33.7 | Very low | 183 Ų | 183 | 144.4 Ų | 144.4 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | trans | -116.9 | 122.2 | 164.7 | -149 | 67.7 | 0 | 0 | 0 | 109.2 | I337 | I337-H339 PolarHBondContact O-N 2.89Š| ||
| 340 | S | 28.4 | Very low | 33.5 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 69% | 0.685 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 134.4 | -176.4 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | ||
| 341 | P | 34.1 | Very low | 33.4 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 119.1 | 171.1 | 32.2 | -26 | 0 | 0 | 0 | 110.9 | ||
| 342 | H | 32.8 | Very low | 33.3 | Very low | 182 Ų | 182 | 141.7 Ų | 141.7 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67 | 135.1 | 172.2 | -130.1 | -80.3 | 0 | 0 | 0 | 110.9 | ||
| 343 | R | 33.6 | Very low | 33.1 | Very low | 229 Ų | 229 | 143.1 Ų | 143.1 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 134.6 | 166.4 | -79 | 178.7 | -179.5 | -166.9 | -1 | 110.5 | ||
| 344 | T | 34.7 | Very low | 32.8 | Very low | 142 Ų | 142 | 144.3 Ų | 144.3 | 87% | 0.871 | 82% | 0.817 | S | S | * | * | trans | -118.1 | 114 | 159.9 | 12.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 345 | L | 32.8 | Very low | 32.9 | Very low | 162 Ų | 162 | 149.5 Ų | 149.5 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | trans | -76.2 | 133.8 | 168.4 | -83.6 | 147.5 | 0 | 0 | 0 | 109 | ||||
| 346 | A | 31.7 | Very low | 32.8 | Very low | 101 Ų | 101 | 148.8 Ų | 148.8 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | -87 | 135.7 | 170 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 347 | V | 35.7 | Very low | 33.1 | Very low | 128 Ų | 128 | 148.9 Ų | 148.9 | 78% | 0.776 | 83% | 0.833 | S | S | * | * | trans | -139.4 | 124.5 | 171.3 | 171 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 348 | S | 29.7 | Very low | 33.3 | Very low | 98 Ų | 98 | 149.3 Ų | 149.3 | 69% | 0.685 | 84% | 0.841 | S | S | * | * | trans | 67.4 | 156.7 | 150.1 | -73.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 349 | P | 47.6 | Very low | 33.5 | Very low | 197 Ų | 197 | 149.1 Ų | 149.1 | 100% | 1.279 | 85% | 0.847 | S | S | * | * | cis | -76 | 0 | 36.9 | -18.1 | 33.3 | 0 | 0 | 0 | 116.4 |
Retrieved 349 of 349 residues in 148.2 ms
(Link to these results)