| 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 | 31.6 | Very low | 36.4 | Very low | 249 Ų | 249 | 156.2 Ų | 156.2 | 100% | 1.227 | 79% | 0.788 | S | S | * | * | 0 | 106.1 | 0 | -79.8 | 173.5 | 164.6 | 0 | 0 | 108.2 | |||||
| 2 | M | 35.8 | Very low | 36.3 | Very low | 171 Ų | 171 | 153.2 Ų | 153.2 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | trans | -138.4 | 103 | 170.7 | -155.3 | 130.5 | 125.7 | 0 | 0 | 106.5 | L4 | M2-L4 PolarHBondContact O-N 2.92Å; M2-L4 VanDerWaalsContact O-N 3.15Å | ||
| 3 | N | 37.5 | Very low | 36.2 | Very low | 146 Ų | 146 | 153.5 Ų | 153.5 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | -70.8 | 105 | -174.9 | -108.3 | -28 | 0 | 0 | 0 | 109.2 | Y5 | N3-Y5 VanDerWaalsContact C-N 3.33Å; N3-Y5 HydrophobicContact CB-CD2 4.2Å; N3-Y5 PolarHBondContact O-N 3.32Å; N3-Y5 VanDerWaalsContact O-N 3.14Å | ||
| 4 | L | 38.2 | Very low | 36.2 | Very low | 149 Ų | 149 | 153 Ų | 153 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | -86.9 | 70.5 | 179.5 | -147.4 | 84.3 | 0 | 0 | 0 | 110 | M2 C6 | M2-L4 PolarHBondContact O-N 2.92Å; M2-L4 VanDerWaalsContact O-N 3.15Å; L4-C6 PolarHBondContact O-N 3.18Å | ||
| 5 | Y | 42.8 | Very low | 35.8 | Very low | 178 Ų | 178 | 149.9 Ų | 149.9 | 70% | 0.698 | 77% | 0.773 | S | S | * | * | trans | -87.5 | 90.7 | 170.9 | -86.3 | -89.8 | 0 | 0 | 0 | 110.1 | N3 M7 | N3-Y5 VanDerWaalsContact C-N 3.33Å; N3-Y5 HydrophobicContact CB-CD2 4.2Å; N3-Y5 PolarHBondContact O-N 3.32Å; N3-Y5 VanDerWaalsContact O-N 3.14Å; Y5-M7 HydrophobicContact CD1-CG 4.42Å; Y5-M7 HydrophobicContact CD1-SD 4.48Å | ||
| 6 | C | 35.1 | Very low | 35.6 | Very low | 108 Ų | 108 | 151.3 Ų | 151.3 | 73% | 0.73 | 78% | 0.781 | S | S | * | * | trans | -95.5 | 80.1 | 158.9 | -124.4 | 0 | 0 | 0 | 0 | 107.2 | L4 | L4-C6 PolarHBondContact O-N 3.18Š| ||
| 7 | M | 40.1 | Very low | 35.5 | Very low | 152 Ų | 152 | 150.9 Ų | 150.9 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | -95.2 | 119.7 | -179.6 | -120.9 | -166.8 | 176.8 | 0 | 0 | 111.4 | Y5 | Y5-M7 HydrophobicContact CD1-CG 4.42Å; Y5-M7 HydrophobicContact CD1-SD 4.48Å | ||
| 8 | K | 30.5 | Very low | 35.3 | Very low | 170 Ų | 170 | 151.8 Ų | 151.8 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | trans | 59.7 | 99.5 | 137.5 | -151.7 | 169.2 | -173.2 | 174.8 | 0 | 117.6 | Q10 | K8-Q10 VanDerWaalsContact C-N 3.25Å; K8-Q10 PolarHBondContact O-N 3.45Å | ||
| 9 | T | 37 | Very low | 35.6 | Very low | 128 Ų | 128 | 150.5 Ų | 150.5 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -66.5 | 85.5 | 157.7 | -34.2 | 0 | 0 | 0 | 0 | 108.8 | N11 | T9-N11 WeakPolarHBondContact CG2-OD1 3.38Å; T9-N11 PolarHBondContact O-N 3.24Å | ||
| 10 | Q | 34.8 | Very low | 35.6 | Very low | 138 Ų | 138 | 150.2 Ų | 150.2 | 65% | 0.645 | 78% | 0.782 | S | S | * | * | trans | -80 | 92.2 | 166.1 | -171.2 | 170.8 | -1.1 | 0 | 0 | 107.3 | K8 N12 | K8-Q10 VanDerWaalsContact C-N 3.25Å; K8-Q10 PolarHBondContact O-N 3.45Å; Q10-N12 VanDerWaalsContact C-N 3.28Å; Q10-N12 PolarHBondContact O-N 3.18Å | ||
| 11 | N | 37.1 | Very low | 35.4 | Very low | 129 Ų | 129 | 151.6 Ų | 151.6 | 69% | 0.69 | 79% | 0.785 | S | S | * | * | trans | -66.5 | 95 | 165.5 | -69.1 | -17.8 | 0 | 0 | 0 | 107.2 | T9 L13 | T9-N11 WeakPolarHBondContact CG2-OD1 3.38Å; T9-N11 PolarHBondContact O-N 3.24Å; N11-L13 PolarHBondContact O-N 3.45Å | ||
| 12 | N | 35.3 | Very low | 35.4 | Very low | 120 Ų | 120 | 147.6 Ų | 147.6 | 64% | 0.642 | 77% | 0.768 | S | S | * | * | trans | -64.9 | 82.3 | 163 | -69 | -27.1 | 0 | 0 | 0 | 107.5 | Q10 L14 | Q10-N12 VanDerWaalsContact C-N 3.28Å; Q10-N12 PolarHBondContact O-N 3.18Å; N12-L14 VanDerWaalsContact C-N 3.28Å; N12-L14 PolarHBondContact O-N 3.03Å | ||
| 13 | L | 35.2 | Very low | 35.3 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -62.9 | 98.7 | 156.3 | -106.1 | 101.8 | 0 | 0 | 0 | 105.9 | N11 | N11-L13 PolarHBondContact O-N 3.45Š| ||
| 14 | L | 35.5 | Very low | 35.3 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -53 | 135.4 | 163.8 | -97.2 | 82.4 | 0 | 0 | 0 | 108.3 | N12 L16 | N12-L14 VanDerWaalsContact C-N 3.28Å; N12-L14 PolarHBondContact O-N 3.03Å; L14-L16 PolarHBondContact O-N 3.39Å | ||
| 15 | P | 30.5 | Very low | 34.9 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | trans | -66 | 135.2 | 177.2 | 28.8 | -31.7 | 0 | 0 | 0 | 109 | N17 | P15-N17 PolarHBondContact O-N 3.02Š| ||
| 16 | L | 32.9 | Very low | 34.6 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 90% | 0.901 | 77% | 0.771 | S | S | * | * | trans | -65.7 | 96.9 | 172.6 | -167.2 | 74 | 0 | 0 | 0 | 107.6 | L14 E18 | L14-L16 PolarHBondContact O-N 3.39Å; L16-E18 PolarHBondContact O-N 3.46Å | ||
| 17 | N | 33.1 | Very low | 34.7 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | -66.7 | 115.6 | 169.1 | -90.8 | 4.5 | 0 | 0 | 0 | 108.9 | P15 | P15-N17 PolarHBondContact O-N 3.02Š| ||
| 18 | E | 31.8 | Very low | 34.4 | Very low | 166 Ų | 166 | 146.1 Ų | 146.1 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -57.2 | 138.4 | 154.4 | -75.8 | 172.2 | 120.2 | 0 | 0 | 109.5 | L16 | L16-E18 PolarHBondContact O-N 3.46Š| ||
| 19 | P | 41.3 | Very low | 34.7 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | trans | -95 | 101.8 | 157.8 | 31 | -21.3 | 0 | 0 | 0 | 108.8 | ||||
| 20 | D | 35.9 | Very low | 34.4 | Very low | 143 Ų | 143 | 145.7 Ų | 145.7 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | -57.4 | 153.4 | 159.8 | -81.8 | -45.1 | 0 | 0 | 0 | 111.7 | ||||
| 21 | E | 31.2 | Very low | 34.5 | Very low | 181 Ų | 181 | 145.8 Ų | 145.8 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -34.7 | 135.6 | 175.1 | -56.7 | -170.8 | 108.7 | 0 | 0 | 116 | ||||
| 22 | L | 32.7 | Very low | 34.6 | Very low | 165 Ų | 165 | 147.9 Ų | 147.9 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -166.4 | 133.6 | 133.2 | -133.7 | 71.6 | 0 | 0 | 0 | 113.9 | ||||
| 23 | S | 33.9 | Very low | 34.4 | Very low | 98 Ų | 98 | 151.8 Ų | 151.8 | 69% | 0.685 | 81% | 0.813 | S | S | * | * | trans | 86.6 | 93.2 | 147.9 | -79.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 24 | K | 36.3 | Very low | 34.3 | Very low | 191 Ų | 191 | 153.7 Ų | 153.7 | 83% | 0.83 | 82% | 0.815 | S | S | * | * | 50 | 108.2 | 110.4 | -77.7 | 178.1 | 175.3 | 175.7 | 0 | 118.4 | |||||
| 25 | T | 31.1 | Very low | 34.5 | Very low | 135 Ų | 135 | 152.9 Ų | 152.9 | 83% | 0.828 | 82% | 0.816 | S | S | * | * | 39.6 | 107.3 | 124.3 | -43.4 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 26 | A | 35.1 | Very low | 34.7 | Very low | 100 Ų | 100 | 155.7 Ų | 155.7 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | trans | -154.3 | 136.7 | 142.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 27 | E | 37.5 | Very low | 35 | Very low | 187 Ų | 187 | 151.9 Ų | 151.9 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -73.4 | 149.7 | -166.8 | -60.2 | 172.8 | 142.9 | 0 | 0 | 113.8 | ||||
| 28 | I | 33.5 | Very low | 35.3 | Very low | 161 Ų | 161 | 150 Ų | 150 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | -91.5 | 141 | 173 | -61 | 163.8 | 0 | 0 | 0 | 108.6 | ||||
| 29 | P | 36.5 | Very low | 35.6 | Very low | 123 Ų | 123 | 151.3 Ų | 151.3 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | -124.8 | 138.6 | 139.6 | 30.8 | -17.3 | 0 | 0 | 0 | 113 | ||||
| 30 | L | 32.4 | Very low | 35.4 | Very low | 166 Ų | 166 | 152.7 Ų | 152.7 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | -68.8 | 123.2 | 178.3 | -171.4 | 87.9 | 0 | 0 | 0 | 111.2 | ||||
| 31 | N | 36.3 | Very low | 35.4 | Very low | 140 Ų | 140 | 153.9 Ų | 153.9 | 75% | 0.749 | 81% | 0.809 | S | S | * | * | trans | -165.4 | 146.9 | 140.3 | -140.9 | 1.3 | 0 | 0 | 0 | 114 | ||||
| 32 | E | 39.2 | Very low | 35.6 | Very low | 174 Ų | 174 | 153.5 Ų | 153.5 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | 79.1 | 82.8 | 159.5 | -66.5 | -178.9 | 125.4 | 0 | 0 | 119.8 | ||||
| 33 | Q | 31.4 | Very low | 35.8 | Very low | 201 Ų | 201 | 150.7 Ų | 150.7 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | trans | -77.8 | 111.3 | 155.1 | 179.3 | 174 | 16.7 | 0 | 0 | 110.7 | ||||
| 34 | K | 33.5 | Very low | 35.9 | Very low | 198 Ų | 198 | 153.8 Ų | 153.8 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -160.5 | 117.1 | 148.9 | -160.6 | 174.6 | -176.5 | -176.2 | 0 | 109 | ||||
| 35 | V | 38.3 | Very low | 35.9 | Very low | 130 Ų | 130 | 151 Ų | 151 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | trans | 161.9 | 112.8 | 145.1 | 166.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 36 | I | 35.5 | Very low | 36.2 | Very low | 165 Ų | 165 | 149 Ų | 149 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -92.2 | 132.1 | 153.3 | -65 | 168.6 | 0 | 0 | 0 | 103.3 | ||||
| 37 | P | 37.8 | Very low | 36.6 | Very low | 93 Ų | 93 | 149.6 Ų | 149.6 | 60% | 0.604 | 79% | 0.793 | S | S | * | * | -157.5 | 163.9 | 80 | 39.4 | -16.8 | 0 | 0 | 0 | 119.6 | |||||
| 38 | T | 41 | Very low | 36.5 | Very low | 105 Ų | 105 | 148 Ų | 148 | 64% | 0.644 | 79% | 0.789 | S | S | * | * | trans | 63.9 | 106.9 | 148.7 | 42.1 | 0 | 0 | 0 | 0 | 119.4 | H40 | T38-H40 PolarHBondContact O-N 2.99Š| ||
| 39 | H | 36.4 | Very low | 36.7 | Very low | 193 Ų | 193 | 146.5 Ų | 146.5 | 89% | 0.894 | 78% | 0.783 | S | S | * | * | trans | -55.6 | 93.9 | 161.6 | -69.1 | -49.4 | 0 | 0 | 0 | 111.4 | ||||
| 40 | H | 37.2 | Very low | 37 | Very low | 157 Ų | 157 | 150.5 Ų | 150.5 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -81.1 | 119.1 | 157.5 | -75.9 | -70.9 | 0 | 0 | 0 | 108.3 | T38 H42 | T38-H40 PolarHBondContact O-N 2.99Å; H40-H42 PolarHBondContact O-N 3.35Å | ||
| 41 | L | 37.7 | Very low | 37.5 | Very low | 168 Ų | 168 | 145.7 Ų | 145.7 | 88% | 0.88 | 76% | 0.757 | S | S | * | * | trans | -49.8 | 111.2 | 169.2 | -79.8 | 80 | 0 | 0 | 0 | 108.7 | P43 | L41-P43 WeakPolarHBondContact O-CD 3.46Š| ||
| 42 | H | 34.7 | Very low | 37.9 | Very low | 173 Ų | 173 | 143.7 Ų | 143.7 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | trans | -69.6 | 120.4 | 162.9 | -87.5 | -80.1 | 0 | 0 | 0 | 107.8 | H40 L44 | H40-H42 PolarHBondContact O-N 3.35Å; H42-L44 PolarHBondContact O-N 2.99Å; H42-L44 VanDerWaalsContact O-N 3.09Å | ||
| 43 | P | 36 | Very low | 38.2 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 69% | 0.688 | 72% | 0.723 | S | S | * | * | trans | -66.9 | 113.8 | 168.1 | 28 | -28.7 | 0 | 0 | 0 | 106.3 | L41 T45 | L41-P43 WeakPolarHBondContact O-CD 3.46Å; P43-T45 VanDerWaalsContact C-N 3.26Å; P43-T45 PolarHBondContact O-N 3.01Å | ||
| 44 | L | 37.1 | Very low | 39 | Very low | 163 Ų | 163 | 133.4 Ų | 133.4 | 85% | 0.853 | 71% | 0.707 | S | S | * | * | trans | -63.8 | 96 | 169.7 | -124.2 | 79.2 | 0 | 0 | 0 | 106.9 | H42 S46 | H42-L44 PolarHBondContact O-N 2.99Å; H42-L44 VanDerWaalsContact O-N 3.09Å; L44-S46 PolarHBondContact O-N 3.5Å | ||
| 45 | T | 36.2 | Very low | 39.5 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | trans | -64.7 | 75 | 163 | 43 | 0 | 0 | 0 | 0 | 108 | P43 | P43-T45 VanDerWaalsContact C-N 3.26Å; P43-T45 PolarHBondContact O-N 3.01Å | ||
| 46 | S | 37.8 | Very low | 39.8 | Very low | 92 Ų | 92 | 128.8 Ų | 128.8 | 64% | 0.643 | 69% | 0.689 | S | S | * | * | trans | -73.2 | 131.8 | 163.6 | 178.1 | 0 | 0 | 0 | 0 | 107.5 | L44 L48 | L44-S46 PolarHBondContact O-N 3.5Å; S46-L48 PolarHBondContact O-N 2.82Å | ||
| 47 | P | 42.7 | Very low | 40.1 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | trans | -55.3 | 130.8 | 178.1 | 24.2 | -32.8 | 0 | 0 | 0 | 109.1 | N49 | P47-N49 VanDerWaalsContact C-N 3.25Å; P47-N49 PolarHBondContact O-N 3.09Å | ||
| 48 | L | 35.5 | Very low | 40.2 | Very low | 152 Ų | 152 | 132.6 Ų | 132.6 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | trans | -44.9 | 80.9 | 177.3 | -163.8 | 81.7 | 0 | 0 | 0 | 111.9 | S46 R50 | S46-L48 PolarHBondContact O-N 2.82Å; L48-R50 PolarHBondContact O-N 2.73Å; L48-R50 VanDerWaalsContact O-N 3.12Å | ||
| 49 | N | 38.5 | Very low | 40.5 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | trans | -76.8 | 100.2 | 172 | -170.9 | 6.2 | 0 | 0 | 0 | 106.8 | P47 N51 | P47-N49 VanDerWaalsContact C-N 3.25Å; P47-N49 PolarHBondContact O-N 3.09Å; N49-N51 PolarHBondContact O-N 2.8Å | ||
| 50 | R | 41.9 | Very low | 40.9 | Very low | 208 Ų | 208 | 127.5 Ų | 127.5 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | trans | -65.3 | 52.1 | 179.6 | -75.5 | 178.9 | 166.9 | 161.5 | -4.4 | 113 | L48 P52 | L48-R50 PolarHBondContact O-N 2.73Å; L48-R50 VanDerWaalsContact O-N 3.12Å; R50-P52 WeakPolarHBondContact O-CD 3.35Å | ||
| 51 | N | 43.3 | Very low | 41.6 | Very low | 64 Ų | 64 | 128.5 Ų | 128.5 | 34% | 0.342 | 70% | 0.696 | S | S | . | * | trans | -112.3 | 95.4 | 168.9 | -85.7 | -9.6 | 0 | 0 | 0 | 108.7 | N49 C53 | N49-N51 PolarHBondContact O-N 2.8Å; N51-C53 PolarHBondContact O-N 3.39Å | ||
| 52 | P | 43.5 | Very low | 42 | Very low | 99 Ų | 99 | 123.3 Ų | 123.3 | 64% | 0.643 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 13.7 | -176.6 | 28.9 | -33.2 | 0 | 0 | 0 | 114.4 | R50 | R50-P52 WeakPolarHBondContact O-CD 3.35Š|
| 53 | C | 47.2 | Very low | 42.8 | Very low | 29 Ų | 29 | 120.5 Ų | 120.5 | 20% | 0.196 | 67% | 0.665 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -116.5 | 10.2 | -175.4 | -65.9 | 0 | 0 | 0 | 0 | 114.1 | N51 C64 | N51-C53 PolarHBondContact O-N 3.39Å; C53-C64 HydrophobicContact CB-CB 4.25Å; C53-C64 WeakPolarHBondContact CB-SG 3.2Å |
| 54 | H | 46.5 | Very low | 43.6 | Very low | 129 Ų | 129 | 117.1 Ų | 117.1 | 60% | 0.597 | 64% | 0.643 | S | S | * | * | trans | -120.5 | 28.8 | -177 | -92.4 | -68.2 | 0 | 0 | 0 | 114.1 | I56 | H54-I56 PolarHBondContact O-N 3.44Š| ||
| 55 | V | 44.5 | Very low | 44.5 | Very low | 100 Ų | 100 | 112.6 Ų | 112.6 | 61% | 0.606 | 62% | 0.624 | S | S | * | * | trans | -80.5 | 80.5 | 165.6 | -165.9 | 0 | 0 | 0 | 0 | 107.9 | Y57 | V55-Y57 VanDerWaalsContact C-N 3.28Å; V55-Y57 HydrophobicContact CG1-CD2 3.68Å; V55-Y57 HydrophobicContact CG1-CE2 3.88Å; V55-Y57 PolarHBondContact O-N 2.85Å | ||
| 56 | I | 45.8 | Very low | 45.3 | Very low | 132 Ų | 132 | 112.3 Ų | 112.3 | 68% | 0.677 | 62% | 0.616 | S | S | * | * | trans | -70.8 | 90.7 | 167.4 | -60.5 | 168.7 | 0 | 0 | 0 | 106.1 | H54 D58 | H54-I56 PolarHBondContact O-N 3.44Å; I56-D58 PolarHBondContact O-N 3.22Å | ||
| 57 | Y | 41.8 | Very low | 45.7 | Very low | 185 Ų | 185 | 118 Ų | 118 | 73% | 0.725 | 62% | 0.624 | S | S | * | * | trans | -75.9 | 113 | 153.9 | -95.8 | -86.3 | 0 | 0 | 0 | 106.4 | V55 G59 V60 | V55-Y57 VanDerWaalsContact C-N 3.28Å; V55-Y57 HydrophobicContact CG1-CD2 3.68Å; V55-Y57 HydrophobicContact CG1-CE2 3.88Å; V55-Y57 PolarHBondContact O-N 2.85Å; Y57-G59 PolarHBondContact O-N 2.99Å; Y57-G59 VanDerWaalsContact O-N 3.13Å; Y57-V60 PolarHBondContact O-N 3.42Å | ||
| 58 | D | 39.7 | Very low | 45.7 | Very low | 152 Ų | 152 | 115 Ų | 115 | 81% | 0.813 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 20.6 | 81.2 | 161.7 | -65.3 | -34.1 | 0 | 0 | 0 | 116.2 | I56 V60 | I56-D58 PolarHBondContact O-N 3.22Å; D58-V60 VanDerWaalsContact C-N 3.34Å; D58-V60 PolarHBondContact O-N 3.12Å |
| 59 | G | 46.3 | Very low | 46.3 | Very low | 77 Ų | 77 | 113.5 Ų | 113.5 | 79% | 0.794 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78 | 1.3 | 159.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | Y57 | Y57-G59 PolarHBondContact O-N 2.99Å; Y57-G59 VanDerWaalsContact O-N 3.13Å |
| 60 | V | 45.5 | Very low | 46.8 | Very low | 114 Ų | 114 | 112.1 Ų | 112.1 | 69% | 0.691 | 60% | 0.598 | S | S | * | * | trans | -110.8 | 103.4 | 173.9 | -174.4 | 0 | 0 | 0 | 0 | 109 | Y57 D58 S62 | Y57-V60 PolarHBondContact O-N 3.42Å; D58-V60 VanDerWaalsContact C-N 3.34Å; D58-V60 PolarHBondContact O-N 3.12Å; V60-S62 PolarHBondContact O-N 3.48Å | ||
| 61 | Q | 52.5 | Low | 47.2 | Very low | 178 Ų | 178 | 106.5 Ų | 106.5 | 83% | 0.832 | 59% | 0.588 | S | S | * | * | trans | -70.4 | 94.8 | 175.5 | -163.1 | 169.1 | 54.2 | 0 | 0 | 108.1 | D63 | Q61-D63 PolarHBondContact O-N 2.92Š| ||
| 62 | S | 45.4 | Very low | 47.6 | Very low | 60 Ų | 60 | 109.8 Ų | 109.8 | 42% | 0.42 | 61% | 0.605 | S | S | . | * | trans | -66.9 | 120.5 | 179.3 | 57.1 | 0 | 0 | 0 | 0 | 110.2 | V60 C64 | V60-S62 PolarHBondContact O-N 3.48Å; S62-C64 PolarHBondContact O-N 3Å; S62-C64 PolarHBondContact O-SG 3.24Å; S62-C64 VanDerWaalsContact O-SG 3.4Å | ||
| 63 | D | 51.3 | Low | 48 | Very low | 113 Ų | 113 | 110.7 Ų | 110.7 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | trans | -56.5 | 103.8 | 172.8 | -91.1 | -37.1 | 0 | 0 | 0 | 110.4 | Q61 C65 I66 | Q61-D63 PolarHBondContact O-N 2.92Å; D63-C65 PolarHBondContact O-N 3.25Å; D63-I66 HydrophobicContact CB-CD1 4.13Å; D63-I66 HydrophobicContact CB-CG1 4.34Å; D63-I66 PolarHBondContact O-N 3.5Å | ||
| 64 | C | 52.6 | Low | 47.9 | Very low | 35 Ų | 35 | 114.7 Ų | 114.7 | 24% | 0.236 | 62% | 0.623 | C | S | . | * | H | α-helix | trans | -64.6 | -13.9 | -177.2 | -64 | 0 | 0 | 0 | 0 | 112.9 | C53 S62 S68 A77 | C53-C64 HydrophobicContact CB-CB 4.25Å; C53-C64 WeakPolarHBondContact CB-SG 3.2Å; S62-C64 PolarHBondContact O-N 3Å; S62-C64 PolarHBondContact O-SG 3.24Å; S62-C64 VanDerWaalsContact O-SG 3.4Å; C64-S68 WeakPolarHBondContact O-CB 3.39Å; C64-A77 HydrophobicContact CB-CB 3.89Å |
| 65 | C | 56 | Low | 48 | Very low | 68 Ų | 68 | 109.4 Ų | 109.4 | 46% | 0.459 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -78 | -26 | 175.2 | -56.3 | 0 | 0 | 0 | 0 | 113.2 | D63 C81 | D63-C65 PolarHBondContact O-N 3.25Å; C65-C81 WeakPolarHBondContact CA-SG 3.35Å; C65-C81 HydrophobicContact CB-CB 4.02Å; C65-C81 WeakPolarHBondContact CB-SG 3.42Å; C65-C81 VanDerWaalsContact SG-CA 3.53Å; C65-C81 WeakPolarHBondContact SG-CB 3.49Å; C65-C81 CovalentContact SG-SG 2.04Å; C65-C81 PolarHBondContact SG-SG 3.47Å |
| 66 | I | 53 | Low | 48.1 | Very low | 128 Ų | 128 | 108.7 Ų | 108.7 | 66% | 0.656 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -87.5 | -26.6 | -176 | -68.1 | 173.8 | 0 | 0 | 0 | 111.1 | D63 | D63-I66 HydrophobicContact CB-CD1 4.13Å; D63-I66 HydrophobicContact CB-CG1 4.34Å; D63-I66 PolarHBondContact O-N 3.5Å |
| 67 | W | 47.2 | Very low | 48.3 | Very low | 211 Ų | 211 | 103.7 Ų | 103.7 | 80% | 0.799 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -111.8 | -0.1 | -170.2 | -73.9 | 50.3 | 0 | 0 | 0 | 114.5 | P69 | W67-P69 WeakPolarHBondContact O-CD 3.49Å |
| 68 | S | 42.6 | Very low | 48.7 | Very low | 52 Ų | 52 | 100 Ų | 100 | 36% | 0.364 | 56% | 0.563 | S | S | . | * | trans | -87 | 111.3 | 175.9 | -165.4 | 0 | 0 | 0 | 0 | 110.2 | C64 D70 | C64-S68 WeakPolarHBondContact O-CB 3.39Å; S68-D70 PolarHBondContact O-N 2.93Å; S68-D70 VanDerWaalsContact O-N 3.15Å; S68-D70 PolarHBondContact OG-O 2.69Å; S68-D70 VanDerWaalsContact OG-O 3.1Å | ||
| 69 | P | 48 | Very low | 49.3 | Very low | 119 Ų | 119 | 96 Ų | 96 | 77% | 0.773 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -65.1 | -15 | 177.1 | 25.6 | -32.6 | 0 | 0 | 0 | 112.9 | W67 | W67-P69 WeakPolarHBondContact O-CD 3.49Š|
| 70 | D | 47.4 | Very low | 49.9 | Very low | 102 Ų | 102 | 93.9 Ų | 93.9 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | trans | -135.1 | 101.6 | 174.3 | -74.4 | -51.2 | 0 | 0 | 0 | 111.2 | S68 L72 | S68-D70 PolarHBondContact O-N 2.93Å; S68-D70 VanDerWaalsContact O-N 3.15Å; S68-D70 PolarHBondContact OG-O 2.69Å; S68-D70 VanDerWaalsContact OG-O 3.1Å; D70-L72 PolarHBondContact O-N 3.4Å | ||
| 71 | P | 52.2 | Low | 50.7 | Low | 89 Ų | 89 | 89.3 Ų | 89.3 | 58% | 0.578 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -0.5 | 177.9 | 21.8 | -24.3 | 0 | 0 | 0 | 113.9 | ||
| 72 | L | 51.7 | Low | 51.3 | Low | 133 Ų | 133 | 86 Ų | 86 | 70% | 0.696 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | -6.3 | -172.4 | -81 | 85.7 | 0 | 0 | 0 | 115.1 | D70 R78 | D70-L72 PolarHBondContact O-N 3.4Å; L72-R78 PolarHBondContact O-NH1 2.96Å; L72-R78 PolarHBondContact O-NH2 3.24Å |
| 73 | I | 51.4 | Low | 52.2 | Low | 118 Ų | 118 | 87.1 Ų | 87.1 | 61% | 0.605 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -121.9 | 90.9 | -170.6 | -63.5 | 175.4 | 0 | 0 | 0 | 111.4 | ||
| 74 | N | 45.1 | Very low | 52.9 | Low | 114 Ų | 114 | 84.3 Ų | 84.3 | 61% | 0.61 | 47% | 0.473 | S | S | * | . | S | Bend | trans | 61.6 | 44.2 | 153.8 | -65 | -21.9 | 0 | 0 | 0 | 118.9 | R78 | N74-R78 PolarHBondContact OD1-NH2 2.94Š|
| 75 | G | 47.2 | Very low | 53.8 | Low | 17 Ų | 17 | 86.4 Ų | 86.4 | 18% | 0.175 | 49% | 0.485 | C | S | . | . | trans | -107.6 | 148 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A77 R78 | G75-A77 PolarHBondContact O-N 3.32Å; G75-A77 VanDerWaalsContact O-N 3.14Å; G75-R78 VanDerWaalsContact O-CB 3.27Å; G75-R78 WeakPolarHBondContact O-CB 3.36Å; G75-R78 WeakPolarHBondContact O-CD 3.31Å; G75-R78 WeakPolarHBondContact O-CG 3.43Å; G75-R78 PolarHBondContact O-N 3.46Å | ||
| 76 | P | 47.8 | Very low | 54.6 | Low | 86 Ų | 86 | 85.5 Ų | 85.5 | 56% | 0.558 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -15 | 173.2 | 25 | -32.5 | 0 | 0 | 0 | 113.5 | R78 | P76-R78 VanDerWaalsContact C-N 3.27Å; P76-R78 PolarHBondContact O-N 3.34Å |
| 77 | A | 50.3 | Low | 55.5 | Low | 27 Ų | 27 | 82.1 Ų | 82.1 | 22% | 0.223 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -6.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | C64 G75 C79 G80 C81 | C64-A77 HydrophobicContact CB-CB 3.89Å; G75-A77 PolarHBondContact O-N 3.32Å; G75-A77 VanDerWaalsContact O-N 3.14Å; A77-C79 VanDerWaalsContact C-N 3.29Å; A77-C79 PolarHBondContact O-N 2.9Å; A77-G80 PolarHBondContact O-N 2.92Å; A77-C81 PolarHBondContact O-N 2.87Å; A77-C81 PolarHBondContact O-SG 2.93Å; A77-C81 VanDerWaalsContact O-SG 3.36Å |
| 78 | R | 49.5 | Very low | 56.7 | Low | 106 Ų | 106 | 74.5 Ų | 74.5 | 40% | 0.4 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -48.3 | -48.2 | -179.2 | -86.9 | 171.5 | 175.6 | -104.8 | 11.3 | 112.4 | L72 N74 G75 P76 F82 | L72-R78 PolarHBondContact O-NH1 2.96Å; L72-R78 PolarHBondContact O-NH2 3.24Å; N74-R78 PolarHBondContact OD1-NH2 2.94Å; G75-R78 VanDerWaalsContact O-CB 3.27Å; G75-R78 WeakPolarHBondContact O-CB 3.36Å; G75-R78 WeakPolarHBondContact O-CD 3.31Å; G75-R78 WeakPolarHBondContact O-CG 3.43Å; G75-R78 PolarHBondContact O-N 3.46Å; P76-R78 VanDerWaalsContact C-N 3.27Å; P76-R78 PolarHBondContact O-N 3.34Å; R78-F82 WeakPolarHBondContact O-CB 3.2Å; R78-F82 PolarHBondContact O-N 3.3Å |
| 79 | C | 52.2 | Low | 58.4 | Low | 70 Ų | 70 | 76.2 Ų | 76.2 | 47% | 0.473 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -71.4 | -32.9 | -177.7 | -69 | 0 | 0 | 0 | 0 | 112.7 | A77 M83 | A77-C79 VanDerWaalsContact C-N 3.29Å; A77-C79 PolarHBondContact O-N 2.9Å; C79-M83 VanDerWaalsContact O-CB 3.26Å; C79-M83 WeakPolarHBondContact O-CB 3.46Å; C79-M83 WeakPolarHBondContact O-CG 3.32Å; C79-M83 PolarHBondContact O-N 3.12Å; C79-M83 VanDerWaalsContact O-N 3.1Å |
| 80 | G | 59.6 | Low | 59.8 | Low | 31 Ų | 31 | 75 Ų | 75 | 32% | 0.32 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.4 | -52.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A77 M83 A84 | A77-G80 PolarHBondContact O-N 2.92Å; G80-M83 PolarHBondContact O-N 3.48Å; G80-A84 WeakPolarHBondContact O-CB 3.35Å; G80-A84 PolarHBondContact O-N 2.76Å |
| 81 | C | 61.5 | Low | 61 | Low | 18 Ų | 18 | 73.4 Ų | 73.4 | 12% | 0.122 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69 | -37.1 | -178.6 | -48.3 | 0 | 0 | 0 | 0 | 111.9 | C65 A77 A84 T85 | C65-C81 WeakPolarHBondContact CA-SG 3.35Å; C65-C81 HydrophobicContact CB-CB 4.02Å; C65-C81 WeakPolarHBondContact CB-SG 3.42Å; C65-C81 VanDerWaalsContact SG-CA 3.53Å; C65-C81 WeakPolarHBondContact SG-CB 3.49Å; C65-C81 CovalentContact SG-SG 2.04Å; C65-C81 PolarHBondContact SG-SG 3.47Å; A77-C81 PolarHBondContact O-N 2.87Å; A77-C81 PolarHBondContact O-SG 2.93Å; A77-C81 VanDerWaalsContact O-SG 3.36Å; C81-A84 PolarHBondContact O-N 3.13Å; C81-T85 WeakPolarHBondContact O-CB 3.34Å; C81-T85 PolarHBondContact O-N 3.18Å; C81-T85 PolarHBondContact O-OG1 2.85Å |
| 82 | F | 64.7 | Low | 62.2 | Low | 110 Ų | 110 | 74 Ų | 74 | 48% | 0.482 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.9 | -46.5 | 175.8 | -176.2 | -106.3 | 0 | 0 | 0 | 111.5 | R78 T85 I86 | R78-F82 WeakPolarHBondContact O-CB 3.2Å; R78-F82 PolarHBondContact O-N 3.3Å; F82-T85 PolarHBondContact O-N 3.01Å; F82-I86 HydrophobicContact CD1-CD1 3.61Å; F82-I86 HydrophobicContact CD1-CG1 4.46Å; F82-I86 HydrophobicContact CE1-CD1 3.14Å; F82-I86 HydrophobicContact CE1-CG1 4.22Å; F82-I86 HydrophobicContact CE2-CD1 4.26Å; F82-I86 HydrophobicContact CG-CD1 4.36Å; F82-I86 HydrophobicContact CZ-CD1 3.51Å; F82-I86 HydrophobicContact CZ-CG1 4.31Å; F82-I86 WeakPolarHBondContact O-CG1 3.44Å; F82-I86 PolarHBondContact O-N 3.38Å |
| 83 | M | 65.3 | Low | 63.6 | Low | 83 Ų | 83 | 71.3 Ų | 71.3 | 41% | 0.409 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.8 | -48.8 | 174.8 | -73 | -64.9 | -178.6 | 0 | 0 | 110.4 | C79 G80 T85 I86 L87 | C79-M83 VanDerWaalsContact O-CB 3.26Å; C79-M83 WeakPolarHBondContact O-CB 3.46Å; C79-M83 WeakPolarHBondContact O-CG 3.32Å; C79-M83 PolarHBondContact O-N 3.12Å; C79-M83 VanDerWaalsContact O-N 3.1Å; G80-M83 PolarHBondContact O-N 3.48Å; M83-T85 VanDerWaalsContact C-N 3.27Å; M83-T85 PolarHBondContact O-N 3.5Å; M83-I86 CarbonylContact O-C 3.56Å; M83-I86 WeakPolarHBondContact O-CA 3.46Å; M83-I86 WeakPolarHBondContact O-CB 3.41Å; M83-I86 PolarHBondContact O-N 2.92Å; M83-L87 WeakPolarHBondContact O-CG 3.43Å; M83-L87 PolarHBondContact O-N 3.09Å |
| 84 | A | 66.5 | Low | 64.8 | Low | 54 Ų | 54 | 67.2 Ų | 67.2 | 45% | 0.446 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -55.2 | -42.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G80 C81 L87 A88 | G80-A84 WeakPolarHBondContact O-CB 3.35Å; G80-A84 PolarHBondContact O-N 2.76Å; C81-A84 PolarHBondContact O-N 3.13Å; A84-L87 PolarHBondContact O-N 2.97Å; A84-A88 WeakPolarHBondContact O-CB 3.38Å; A84-A88 PolarHBondContact O-N 2.97Å |
| 85 | T | 70.3 | Confident | 66.3 | Low | 79 Ų | 79 | 66.8 Ų | 66.8 | 49% | 0.485 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64 | -45 | 176.2 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | C81 F82 M83 L87 A88 I89 | C81-T85 WeakPolarHBondContact O-CB 3.34Å; C81-T85 PolarHBondContact O-N 3.18Å; C81-T85 PolarHBondContact O-OG1 2.85Å; F82-T85 PolarHBondContact O-N 3.01Å; M83-T85 VanDerWaalsContact C-N 3.27Å; M83-T85 PolarHBondContact O-N 3.5Å; T85-L87 PolarHBondContact O-N 3.45Å; T85-A88 PolarHBondContact O-N 2.94Å; T85-I89 HydrophobicContact CG2-CD1 3.98Å; T85-I89 VanDerWaalsContact O-CG1 3.29Å; T85-I89 WeakPolarHBondContact O-CG1 3.43Å; T85-I89 PolarHBondContact O-N 2.89Å |
| 86 | I | 74.1 | Confident | 67.9 | Low | 48 Ų | 48 | 70.3 Ų | 70.3 | 25% | 0.246 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 174.9 | -74.1 | 177.6 | 0 | 0 | 0 | 110.7 | F82 M83 A88 I89 F90 | F82-I86 HydrophobicContact CD1-CD1 3.61Å; F82-I86 HydrophobicContact CD1-CG1 4.46Å; F82-I86 HydrophobicContact CE1-CD1 3.14Å; F82-I86 HydrophobicContact CE1-CG1 4.22Å; F82-I86 HydrophobicContact CE2-CD1 4.26Å; F82-I86 HydrophobicContact CG-CD1 4.36Å; F82-I86 HydrophobicContact CZ-CD1 3.51Å; F82-I86 HydrophobicContact CZ-CG1 4.31Å; F82-I86 WeakPolarHBondContact O-CG1 3.44Å; F82-I86 PolarHBondContact O-N 3.38Å; M83-I86 CarbonylContact O-C 3.56Å; M83-I86 WeakPolarHBondContact O-CA 3.46Å; M83-I86 WeakPolarHBondContact O-CB 3.41Å; M83-I86 PolarHBondContact O-N 2.92Å; I86-A88 VanDerWaalsContact C-N 3.3Å; I86-A88 PolarHBondContact O-N 3.03Å; I86-I89 PolarHBondContact O-N 3Å; I86-F90 HydrophobicContact CG2-CD2 3.46Å; I86-F90 VanDerWaalsContact CG2-CD2 3.46Å; I86-F90 HydrophobicContact CG2-CE2 3.42Å; I86-F90 VanDerWaalsContact CG2-CE2 3.42Å; I86-F90 WeakPolarHBondContact O-CD2 3.48Å; I86-F90 PolarHBondContact O-N 3.3Å |
| 87 | L | 70.5 | Confident | 69.4 | Low | 58 Ų | 58 | 69.3 Ų | 69.3 | 30% | 0.304 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 179.2 | -48.8 | -169.9 | 0 | 0 | 0 | 110.8 | M83 A84 T85 F90 S91 F139 | M83-L87 WeakPolarHBondContact O-CG 3.43Å; M83-L87 PolarHBondContact O-N 3.09Å; A84-L87 PolarHBondContact O-N 2.97Å; T85-L87 PolarHBondContact O-N 3.45Å; L87-F90 PolarHBondContact O-N 3.4Å; L87-S91 WeakPolarHBondContact O-CB 3.47Å; L87-S91 PolarHBondContact O-N 2.94Å; L87-F139 HydrophobicContact CB-CD1 4.17Å; L87-F139 HydrophobicContact CB-CE1 3.59Å; L87-F139 HydrophobicContact CB-CZ 4.44Å; L87-F139 HydrophobicContact CD1-CD1 3.87Å; L87-F139 HydrophobicContact CD1-CE1 4.08Å; L87-F139 HydrophobicContact CD2-CD1 3.73Å; L87-F139 HydrophobicContact CD2-CE1 3.29Å; L87-F139 HydrophobicContact CD2-CZ 4.45Å; L87-F139 HydrophobicContact CG-CD1 4.05Å; L87-F139 HydrophobicContact CG-CE1 3.73Å |
| 88 | A | 73.2 | Confident | 70.5 | Confident | 50 Ų | 50 | 69.4 Ų | 69.4 | 41% | 0.413 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | A84 T85 I86 S91 I92 | A84-A88 WeakPolarHBondContact O-CB 3.38Å; A84-A88 PolarHBondContact O-N 2.97Å; T85-A88 PolarHBondContact O-N 2.94Å; I86-A88 VanDerWaalsContact C-N 3.3Å; I86-A88 PolarHBondContact O-N 3.03Å; A88-S91 WeakPolarHBondContact O-CB 3.01Å; A88-S91 PolarHBondContact O-N 3.15Å; A88-I92 WeakPolarHBondContact O-CG1 3.1Å; A88-I92 PolarHBondContact O-N 2.9Å |
| 89 | I | 78.8 | Confident | 71.8 | Confident | 88 Ų | 88 | 68 Ų | 68 | 45% | 0.451 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 175.7 | -68.1 | 165.4 | 0 | 0 | 0 | 110.3 | T85 I86 S91 I92 I93 | T85-I89 HydrophobicContact CG2-CD1 3.98Å; T85-I89 VanDerWaalsContact O-CG1 3.29Å; T85-I89 WeakPolarHBondContact O-CG1 3.43Å; T85-I89 PolarHBondContact O-N 2.89Å; I86-I89 PolarHBondContact O-N 3Å; I89-S91 VanDerWaalsContact C-N 3.29Å; I89-S91 PolarHBondContact O-N 3.29Å; I89-I92 PolarHBondContact O-N 3.41Å; I89-I93 HydrophobicContact CG2-CD1 3.77Å; I89-I93 HydrophobicContact CG2-CG1 4.44Å; I89-I93 VanDerWaalsContact O-CG1 3.3Å; I89-I93 WeakPolarHBondContact O-CG1 3.48Å; I89-I93 PolarHBondContact O-N 3.37Å |
| 90 | F | 77.2 | Confident | 73 | Confident | 93 Ų | 93 | 69.9 Ų | 69.9 | 41% | 0.408 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61 | -39 | 176.4 | -83.5 | -66.1 | 0 | 0 | 0 | 112.1 | I86 L87 I93 L94 F139 | I86-F90 HydrophobicContact CG2-CD2 3.46Å; I86-F90 VanDerWaalsContact CG2-CD2 3.46Å; I86-F90 HydrophobicContact CG2-CE2 3.42Å; I86-F90 VanDerWaalsContact CG2-CE2 3.42Å; I86-F90 WeakPolarHBondContact O-CD2 3.48Å; I86-F90 PolarHBondContact O-N 3.3Å; L87-F90 PolarHBondContact O-N 3.4Å; F90-I93 PolarHBondContact O-N 3Å; F90-L94 WeakPolarHBondContact O-CB 3.14Å; F90-L94 VanDerWaalsContact O-CG 3.24Å; F90-L94 WeakPolarHBondContact O-CG 3.27Å; F90-L94 PolarHBondContact O-N 3.33Å; F90-F139 HydrophobicContact CB-CZ 3.99Å |
| 91 | S | 72.7 | Confident | 73.6 | Confident | 70 Ų | 70 | 69.6 Ų | 69.6 | 49% | 0.49 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 175.7 | -179 | 0 | 0 | 0 | 0 | 112 | L87 A88 I89 L94 L95 | L87-S91 WeakPolarHBondContact O-CB 3.47Å; L87-S91 PolarHBondContact O-N 2.94Å; A88-S91 WeakPolarHBondContact O-CB 3.01Å; A88-S91 PolarHBondContact O-N 3.15Å; I89-S91 VanDerWaalsContact C-N 3.29Å; I89-S91 PolarHBondContact O-N 3.29Å; S91-L94 PolarHBondContact O-N 2.85Å; S91-L95 VanDerWaalsContact O-CB 3.31Å; S91-L95 WeakPolarHBondContact O-CB 3.37Å; S91-L95 PolarHBondContact O-N 3.47Å |
| 92 | I | 77.6 | Confident | 74.1 | Confident | 102 Ų | 102 | 73 Ų | 73 | 52% | 0.523 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 175.9 | -66.6 | 163.9 | 0 | 0 | 0 | 110.7 | A88 I89 L94 L95 L96 | A88-I92 WeakPolarHBondContact O-CG1 3.1Å; A88-I92 PolarHBondContact O-N 2.9Å; I89-I92 PolarHBondContact O-N 3.41Å; I92-L94 PolarHBondContact O-N 3.15Å; I92-L95 PolarHBondContact O-N 3.4Å; I92-L96 HydrophobicContact CG2-CD1 4.08Å; I92-L96 HydrophobicContact CG2-CG 4.48Å; I92-L96 WeakPolarHBondContact O-CB 3.3Å; I92-L96 WeakPolarHBondContact O-CG 3.5Å; I92-L96 PolarHBondContact O-N 2.89Å |
| 93 | I | 80.2 | Confident | 74.7 | Confident | 76 Ų | 76 | 72.5 Ų | 72.5 | 39% | 0.39 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 178.1 | -68.1 | 168.4 | 0 | 0 | 0 | 110.5 | I89 F90 L95 L96 I97 | I89-I93 HydrophobicContact CG2-CD1 3.77Å; I89-I93 HydrophobicContact CG2-CG1 4.44Å; I89-I93 VanDerWaalsContact O-CG1 3.3Å; I89-I93 WeakPolarHBondContact O-CG1 3.48Å; I89-I93 PolarHBondContact O-N 3.37Å; F90-I93 PolarHBondContact O-N 3Å; I93-L95 VanDerWaalsContact C-N 3.32Å; I93-L95 PolarHBondContact O-N 2.93Å; I93-L96 PolarHBondContact O-N 3.31Å; I93-I97 HydrophobicContact CG2-CD1 3.8Å; I93-I97 HydrophobicContact CG2-CG1 4.47Å; I93-I97 WeakPolarHBondContact O-CB 3.13Å; I93-I97 VanDerWaalsContact O-CG1 3.24Å; I93-I97 WeakPolarHBondContact O-CG1 3.46Å; I93-I97 PolarHBondContact O-N 3.19Å |
| 94 | L | 75.7 | Confident | 75.1 | Confident | 31 Ų | 31 | 71.8 Ų | 71.8 | 16% | 0.162 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 177.2 | -71.5 | 171.1 | 0 | 0 | 0 | 112 | F90 S91 I92 I97 G98 P132 F135 F139 | F90-L94 WeakPolarHBondContact O-CB 3.14Å; F90-L94 VanDerWaalsContact O-CG 3.24Å; F90-L94 WeakPolarHBondContact O-CG 3.27Å; F90-L94 PolarHBondContact O-N 3.33Å; S91-L94 PolarHBondContact O-N 2.85Å; I92-L94 PolarHBondContact O-N 3.15Å; L94-I97 PolarHBondContact O-N 3.41Å; L94-G98 PolarHBondContact O-N 3.42Å; L94-P132 HydrophobicContact CD2-CB 4.49Å; L94-F135 HydrophobicContact CD1-CB 3.67Å; L94-F135 HydrophobicContact CD1-CD1 4.44Å; L94-F135 HydrophobicContact CD1-CD2 4.06Å; L94-F135 HydrophobicContact CD1-CG 3.82Å; L94-F135 HydrophobicContact CD2-CD2 3.85Å; L94-F135 HydrophobicContact CD2-CE2 4.28Å; L94-F135 HydrophobicContact CD2-CG 4.46Å; L94-F139 HydrophobicContact CD1-CE2 4.37Å |
| 95 | L | 77.1 | Confident | 75.2 | Confident | 105 Ų | 105 | 74.6 Ų | 74.6 | 55% | 0.55 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65 | -44.9 | 174.6 | -177 | 150.1 | 0 | 0 | 0 | 111.1 | S91 I92 I93 I97 G98 I99 | S91-L95 VanDerWaalsContact O-CB 3.31Å; S91-L95 WeakPolarHBondContact O-CB 3.37Å; S91-L95 PolarHBondContact O-N 3.47Å; I92-L95 PolarHBondContact O-N 3.4Å; I93-L95 VanDerWaalsContact C-N 3.32Å; I93-L95 PolarHBondContact O-N 2.93Å; L95-I97 VanDerWaalsContact C-N 3.34Å; L95-I97 PolarHBondContact O-N 3.06Å; L95-G98 PolarHBondContact O-N 3.05Å; L95-I99 HydrophobicContact CD2-CD1 3.45Å; L95-I99 VanDerWaalsContact CD2-CD1 3.45Å; L95-I99 HydrophobicContact CD2-CG1 4.21Å; L95-I99 HydrophobicContact CG-CD1 4.44Å; L95-I99 WeakPolarHBondContact O-CG1 2.97Å; L95-I99 PolarHBondContact O-N 2.99Å |
| 96 | L | 80.7 | Confident | 75.2 | Confident | 92 Ų | 92 | 78.5 Ų | 78.5 | 48% | 0.482 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.7 | -45 | 174.5 | -78.2 | 168.7 | 0 | 0 | 0 | 111.4 | I92 I93 G98 I99 I100 | I92-L96 HydrophobicContact CG2-CD1 4.08Å; I92-L96 HydrophobicContact CG2-CG 4.48Å; I92-L96 WeakPolarHBondContact O-CB 3.3Å; I92-L96 WeakPolarHBondContact O-CG 3.5Å; I92-L96 PolarHBondContact O-N 2.89Å; I93-L96 PolarHBondContact O-N 3.31Å; L96-G98 VanDerWaalsContact C-N 3.33Å; L96-G98 PolarHBondContact O-N 2.93Å; L96-I99 PolarHBondContact O-N 3.14Å; L96-I100 VanDerWaalsContact O-CG1 3.27Å; L96-I100 WeakPolarHBondContact O-CG1 3.35Å; L96-I100 PolarHBondContact O-N 3.1Å |
| 97 | I | 79.5 | Confident | 75 | Confident | 64 Ų | 64 | 79.8 Ų | 79.8 | 33% | 0.328 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 175.3 | -69.3 | 166.4 | 0 | 0 | 0 | 110.3 | I93 L94 L95 I99 I100 L101 L128 | I93-I97 HydrophobicContact CG2-CD1 3.8Å; I93-I97 HydrophobicContact CG2-CG1 4.47Å; I93-I97 WeakPolarHBondContact O-CB 3.13Å; I93-I97 VanDerWaalsContact O-CG1 3.24Å; I93-I97 WeakPolarHBondContact O-CG1 3.46Å; I93-I97 PolarHBondContact O-N 3.19Å; L94-I97 PolarHBondContact O-N 3.41Å; L95-I97 VanDerWaalsContact C-N 3.34Å; L95-I97 PolarHBondContact O-N 3.06Å; I97-I99 PolarHBondContact O-N 2.77Å; I97-I100 PolarHBondContact O-N 2.7Å; I97-L101 HydrophobicContact CG2-CD1 4.2Å; I97-L101 HydrophobicContact CG2-CG 4.38Å; I97-L101 WeakPolarHBondContact O-CB 3.33Å; I97-L101 VanDerWaalsContact O-CG 3.27Å; I97-L101 WeakPolarHBondContact O-CG 3.07Å; I97-L101 PolarHBondContact O-N 3Å; I97-L128 HydrophobicContact CG2-CD2 3.26Å |
| 98 | G | 74.5 | Confident | 74.6 | Confident | 29 Ų | 29 | 78.2 Ų | 78.2 | 30% | 0.299 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L94 L95 L96 L101 T102 | L94-G98 PolarHBondContact O-N 3.42Å; L95-G98 PolarHBondContact O-N 3.05Å; L96-G98 VanDerWaalsContact C-N 3.33Å; L96-G98 PolarHBondContact O-N 2.93Å; G98-L101 PolarHBondContact O-N 2.83Å; G98-T102 WeakPolarHBondContact O-CB 3.3Å; G98-T102 VanDerWaalsContact O-CG2 3.29Å; G98-T102 WeakPolarHBondContact O-CG2 3.39Å; G98-T102 PolarHBondContact O-N 3.23Å; G98-T102 PolarHBondContact O-OG1 2.84Å |
| 99 | I | 75.6 | Confident | 74 | Confident | 78 Ų | 78 | 77.4 Ų | 77.4 | 40% | 0.4 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64 | -47.4 | 174.2 | -68.3 | 173.8 | 0 | 0 | 0 | 110.4 | L95 L96 I97 L101 T102 I103 | L95-I99 HydrophobicContact CD2-CD1 3.45Å; L95-I99 VanDerWaalsContact CD2-CD1 3.45Å; L95-I99 HydrophobicContact CD2-CG1 4.21Å; L95-I99 HydrophobicContact CG-CD1 4.44Å; L95-I99 WeakPolarHBondContact O-CG1 2.97Å; L95-I99 PolarHBondContact O-N 2.99Å; L96-I99 PolarHBondContact O-N 3.14Å; I97-I99 PolarHBondContact O-N 2.77Å; I99-L101 VanDerWaalsContact C-N 3.3Å; I99-L101 PolarHBondContact O-N 3.47Å; I99-T102 VanDerWaalsContact CA-OG1 3.31Å; I99-T102 WeakPolarHBondContact CA-OG1 3.34Å; I99-T102 PolarHBondContact O-N 3.37Å; I99-T102 PolarHBondContact O-OG1 3.42Å; I99-I103 HydrophobicContact CG2-CD1 3.68Å; I99-I103 HydrophobicContact CG2-CG1 4.29Å; I99-I103 WeakPolarHBondContact O-CB 3.3Å; I99-I103 VanDerWaalsContact O-CG1 3.3Å; I99-I103 WeakPolarHBondContact O-CG1 3.48Å; I99-I103 PolarHBondContact O-N 3.41Å |
| 100 | I | 78.3 | Confident | 72.9 | Confident | 109 Ų | 109 | 79.2 Ų | 79.2 | 56% | 0.559 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -60.8 | -43.7 | 178.4 | -67.9 | 165.7 | 0 | 0 | 0 | 110.1 | L96 I97 I103 L104 | L96-I100 VanDerWaalsContact O-CG1 3.27Å; L96-I100 WeakPolarHBondContact O-CG1 3.35Å; L96-I100 PolarHBondContact O-N 3.1Å; I97-I100 PolarHBondContact O-N 2.7Å; I100-I103 PolarHBondContact O-N 3Å; I100-L104 WeakPolarHBondContact O-CB 3.24Å; I100-L104 PolarHBondContact O-N 3.31Å |
| 101 | L | 72.3 | Confident | 71.9 | Confident | 25 Ų | 25 | 78.9 Ų | 78.9 | 13% | 0.131 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 176 | -75.9 | 174.2 | 0 | 0 | 0 | 113 | I97 G98 I99 L104 H105 L125 L128 | I97-L101 HydrophobicContact CG2-CD1 4.2Å; I97-L101 HydrophobicContact CG2-CG 4.38Å; I97-L101 WeakPolarHBondContact O-CB 3.33Å; I97-L101 VanDerWaalsContact O-CG 3.27Å; I97-L101 WeakPolarHBondContact O-CG 3.07Å; I97-L101 PolarHBondContact O-N 3Å; G98-L101 PolarHBondContact O-N 2.83Å; I99-L101 VanDerWaalsContact C-N 3.3Å; I99-L101 PolarHBondContact O-N 3.47Å; L101-L104 PolarHBondContact O-N 2.95Å; L101-H105 WeakPolarHBondContact O-CB 3.32Å; L101-H105 PolarHBondContact O-N 3.36Å; L101-L125 HydrophobicContact CB-CD2 4.28Å; L101-L125 HydrophobicContact CD2-CD2 3.94Å; L101-L128 HydrophobicContact CD1-CB 4Å; L101-L128 HydrophobicContact CD1-CD2 3.31Å; L101-L128 HydrophobicContact CD1-CG 4.16Å; L101-L128 HydrophobicContact CD2-CB 3.97Å; L101-L128 HydrophobicContact CD2-CD1 4.1Å; L101-L128 HydrophobicContact CD2-CD2 3.91Å; L101-L128 HydrophobicContact CD2-CG 4.16Å; L101-L128 HydrophobicContact CG-CD2 3.83Å |
| 102 | T | 72.4 | Confident | 71 | Confident | 88 Ų | 88 | 78.7 Ų | 78.7 | 54% | 0.54 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70.1 | -41.1 | 179.4 | 48.2 | 0 | 0 | 0 | 0 | 111.4 | G98 I99 H105 Y106 | G98-T102 WeakPolarHBondContact O-CB 3.3Å; G98-T102 VanDerWaalsContact O-CG2 3.29Å; G98-T102 WeakPolarHBondContact O-CG2 3.39Å; G98-T102 PolarHBondContact O-N 3.23Å; G98-T102 PolarHBondContact O-OG1 2.84Å; I99-T102 VanDerWaalsContact CA-OG1 3.31Å; I99-T102 WeakPolarHBondContact CA-OG1 3.34Å; I99-T102 PolarHBondContact O-N 3.37Å; I99-T102 PolarHBondContact O-OG1 3.42Å; T102-H105 PolarHBondContact O-N 2.93Å; T102-Y106 WeakPolarHBondContact O-CB 3.35Å; T102-Y106 PolarHBondContact O-N 3.02Å |
| 103 | I | 77.4 | Confident | 69.8 | Low | 100 Ų | 100 | 84.3 Ų | 84.3 | 51% | 0.513 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 171.5 | -66.2 | 170.9 | 0 | 0 | 0 | 109.8 | I99 I100 H105 Y106 V107 | I99-I103 HydrophobicContact CG2-CD1 3.68Å; I99-I103 HydrophobicContact CG2-CG1 4.29Å; I99-I103 WeakPolarHBondContact O-CB 3.3Å; I99-I103 VanDerWaalsContact O-CG1 3.3Å; I99-I103 WeakPolarHBondContact O-CG1 3.48Å; I99-I103 PolarHBondContact O-N 3.41Å; I100-I103 PolarHBondContact O-N 3Å; I103-H105 VanDerWaalsContact C-N 3.33Å; I103-H105 PolarHBondContact O-N 3.48Å; I103-Y106 WeakPolarHBondContact O-CB 3.32Å; I103-Y106 PolarHBondContact O-N 3.21Å; I103-Y106 VanDerWaalsContact O-N 3.11Å; I103-V107 HydrophobicContact CG2-CG2 4.22Å; I103-V107 VanDerWaalsContact O-CG2 3.3Å; I103-V107 WeakPolarHBondContact O-CG2 3.09Å; I103-V107 PolarHBondContact O-N 3.21Å |
| 104 | L | 72.1 | Confident | 68.6 | Low | 69 Ų | 69 | 84.9 Ų | 84.9 | 36% | 0.361 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 178.4 | -172.4 | 65.3 | 0 | 0 | 0 | 110.3 | I100 L101 Y106 V107 I108 | I100-L104 WeakPolarHBondContact O-CB 3.24Å; I100-L104 PolarHBondContact O-N 3.31Å; L101-L104 PolarHBondContact O-N 2.95Å; L104-Y106 VanDerWaalsContact C-N 3.31Å; L104-Y106 PolarHBondContact O-N 2.98Å; L104-V107 PolarHBondContact O-N 2.89Å; L104-I108 HydrophobicContact CD1-CD1 3.59Å; L104-I108 HydrophobicContact CD1-CG1 4.22Å; L104-I108 HydrophobicContact CD2-CD1 4.32Å; L104-I108 HydrophobicContact CG-CD1 3.53Å; L104-I108 HydrophobicContact CG-CG1 4.4Å; L104-I108 WeakPolarHBondContact O-CB 3.39Å; L104-I108 WeakPolarHBondContact O-CD1 3.26Å; L104-I108 WeakPolarHBondContact O-CG1 3.13Å; L104-I108 PolarHBondContact O-N 2.04Å |
| 105 | H | 69.7 | Low | 67.6 | Low | 112 Ų | 112 | 89.3 Ų | 89.3 | 52% | 0.519 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61 | -38.9 | 173.7 | -174.9 | -71.8 | 0 | 0 | 0 | 111.9 | L101 T102 I103 G109 L125 | L101-H105 WeakPolarHBondContact O-CB 3.32Å; L101-H105 PolarHBondContact O-N 3.36Å; T102-H105 PolarHBondContact O-N 2.93Å; I103-H105 VanDerWaalsContact C-N 3.33Å; I103-H105 PolarHBondContact O-N 3.48Å; H105-G109 WeakPolarHBondContact O-CA 3.29Å; H105-G109 PolarHBondContact O-N 2.96Å; H105-L125 HydrophobicContact CB-CD1 4.18Å; H105-L125 HydrophobicContact CB-CD2 3.9Å |
| 106 | Y | 69.1 | Low | 66.7 | Low | 161 Ų | 161 | 91.4 Ų | 91.4 | 63% | 0.631 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.4 | -48.6 | 178.3 | -180 | -97.8 | 0 | 0 | 0 | 111.9 | T102 I103 L104 I108 G109 M110 | T102-Y106 WeakPolarHBondContact O-CB 3.35Å; T102-Y106 PolarHBondContact O-N 3.02Å; I103-Y106 WeakPolarHBondContact O-CB 3.32Å; I103-Y106 PolarHBondContact O-N 3.21Å; I103-Y106 VanDerWaalsContact O-N 3.11Å; L104-Y106 VanDerWaalsContact C-N 3.31Å; L104-Y106 PolarHBondContact O-N 2.98Å; Y106-I108 VanDerWaalsContact C-N 3.27Å; Y106-I108 PolarHBondContact O-N 3.45Å; Y106-G109 PolarHBondContact O-N 2.93Å; Y106-M110 HydrophobicContact CE1-CG 4.43Å; Y106-M110 WeakPolarHBondContact O-CG 3.18Å; Y106-M110 PolarHBondContact O-N 3.23Å |
| 107 | V | 69.7 | Low | 65.6 | Low | 76 Ų | 76 | 94.6 Ų | 94.6 | 46% | 0.461 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61 | -41 | 176.3 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | I103 L104 M110 E111 | I103-V107 HydrophobicContact CG2-CG2 4.22Å; I103-V107 VanDerWaalsContact O-CG2 3.3Å; I103-V107 WeakPolarHBondContact O-CG2 3.09Å; I103-V107 PolarHBondContact O-N 3.21Å; L104-V107 PolarHBondContact O-N 2.89Å; V107-M110 WeakPolarHBondContact O-CB 3.39Å; V107-M110 PolarHBondContact O-N 3.46Å; V107-E111 PolarHBondContact O-N 3.29Å |
| 108 | I | 63.8 | Low | 64.4 | Low | 24 Ų | 24 | 93.3 Ų | 93.3 | 12% | 0.123 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -76.2 | -32.3 | 179.9 | -69.1 | 176.1 | 0 | 0 | 0 | 111.6 | L104 Y106 M110 E111 F112 V121 | L104-I108 HydrophobicContact CD1-CD1 3.59Å; L104-I108 HydrophobicContact CD1-CG1 4.22Å; L104-I108 HydrophobicContact CD2-CD1 4.32Å; L104-I108 HydrophobicContact CG-CD1 3.53Å; L104-I108 HydrophobicContact CG-CG1 4.4Å; L104-I108 WeakPolarHBondContact O-CB 3.39Å; L104-I108 WeakPolarHBondContact O-CD1 3.26Å; L104-I108 WeakPolarHBondContact O-CG1 3.13Å; L104-I108 PolarHBondContact O-N 2.04Å; Y106-I108 VanDerWaalsContact C-N 3.27Å; Y106-I108 PolarHBondContact O-N 3.45Å; I108-M110 VanDerWaalsContact C-N 3.27Å; I108-M110 PolarHBondContact O-N 2.85Å; I108-E111 CarbonylContact O-C 3.59Å; I108-E111 PolarHBondContact O-N 2.84Å; I108-E111 VanDerWaalsContact O-N 3.17Å; I108-F112 HydrophobicContact CB-CE2 4.44Å; I108-F112 HydrophobicContact CG2-CD1 4.02Å; I108-F112 HydrophobicContact CG2-CD2 3.45Å; I108-F112 VanDerWaalsContact CG2-CD2 3.45Å; I108-F112 HydrophobicContact CG2-CE1 3.52Å; I108-F112 HydrophobicContact CG2-CE2 2.99Å; I108-F112 HydrophobicContact CG2-CG 4Å; I108-F112 HydrophobicContact CG2-CZ 3.06Å; I108-F112 WeakPolarHBondContact O-CB 3.28Å; I108-F112 WeakPolarHBondContact O-CD2 3.49Å; I108-F112 WeakPolarHBondContact O-CG 3.46Å; I108-F112 PolarHBondContact O-N 2.83Å; I108-V121 HydrophobicContact CD1-CB 4.08Å; I108-V121 HydrophobicContact CD1-CG1 3.22Å; I108-V121 HydrophobicContact CD1-CG2 3.96Å; I108-V121 HydrophobicContact CG1-CG1 4.42Å; I108-V121 HydrophobicContact CG2-CB 4.01Å; I108-V121 HydrophobicContact CG2-CG1 4.02Å; I108-V121 HydrophobicContact CG2-CG2 4.12Å |
| 109 | G | 59.5 | Low | 63.7 | Low | 33 Ų | 33 | 100.3 Ų | 100.3 | 34% | 0.34 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -32.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | H105 Y106 | H105-G109 WeakPolarHBondContact O-CA 3.29Å; H105-G109 PolarHBondContact O-N 2.96Å; Y106-G109 PolarHBondContact O-N 2.93Å |
| 110 | M | 56.9 | Low | 63 | Low | 127 Ų | 127 | 101.9 Ų | 101.9 | 63% | 0.626 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.4 | -41.7 | 169.4 | -69.1 | -89 | -74.2 | 0 | 0 | 111.6 | Y106 V107 I108 | Y106-M110 HydrophobicContact CE1-CG 4.43Å; Y106-M110 WeakPolarHBondContact O-CG 3.18Å; Y106-M110 PolarHBondContact O-N 3.23Å; V107-M110 WeakPolarHBondContact O-CB 3.39Å; V107-M110 PolarHBondContact O-N 3.46Å; I108-M110 VanDerWaalsContact C-N 3.27Å; I108-M110 PolarHBondContact O-N 2.85Å |
| 111 | E | 56.1 | Low | 62.1 | Low | 86 Ų | 86 | 97.9 Ų | 97.9 | 40% | 0.402 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.9 | -28.7 | 177.4 | -75.8 | -106.8 | 146.5 | 0 | 0 | 113.3 | V107 I108 Y113 T114 R117 | V107-E111 PolarHBondContact O-N 3.29Å; I108-E111 CarbonylContact O-C 3.59Å; I108-E111 PolarHBondContact O-N 2.84Å; I108-E111 VanDerWaalsContact O-N 3.17Å; E111-Y113 VanDerWaalsContact C-N 3.31Å; E111-Y113 PolarHBondContact O-N 3.37Å; E111-T114 WeakPolarHBondContact O-CA 3.21Å; E111-T114 PolarHBondContact O-N 2.89Å; E111-T114 PolarHBondContact O-OG1 2.73Å; E111-R117 IonicContact OE2-CZ 3.98Å; E111-R117 IonicContact OE2-NH1 2.87Å; E111-R117 PolarHBondContact OE2-NH1 3.44Å |
| 112 | F | 52.2 | Low | 61.6 | Low | 65 Ų | 65 | 98 Ų | 98 | 29% | 0.285 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -8.7 | -177.7 | -70.6 | -19.2 | 0 | 0 | 0 | 115.6 | I108 T114 R117 G118 V121 | I108-F112 HydrophobicContact CB-CE2 4.44Å; I108-F112 HydrophobicContact CG2-CD1 4.02Å; I108-F112 HydrophobicContact CG2-CD2 3.45Å; I108-F112 VanDerWaalsContact CG2-CD2 3.45Å; I108-F112 HydrophobicContact CG2-CE1 3.52Å; I108-F112 HydrophobicContact CG2-CE2 2.99Å; I108-F112 HydrophobicContact CG2-CG 4Å; I108-F112 HydrophobicContact CG2-CZ 3.06Å; I108-F112 WeakPolarHBondContact O-CB 3.28Å; I108-F112 WeakPolarHBondContact O-CD2 3.49Å; I108-F112 WeakPolarHBondContact O-CG 3.46Å; I108-F112 PolarHBondContact O-N 2.83Å; F112-T114 PolarHBondContact O-N 3.42Å; F112-R117 VanDerWaalsContact CD1-C 3.47Å; F112-R117 HydrophobicContact CD1-CB 3.89Å; F112-R117 HydrophobicContact CE1-CB 3.55Å; F112-R117 WeakPolarHBondContact CE1-O 3.41Å; F112-R117 VanDerWaalsContact CZ-O 3.24Å; F112-R117 WeakPolarHBondContact CZ-O 3.47Å; F112-G118 VanDerWaalsContact CD1-CA 3.44Å; F112-G118 VanDerWaalsContact CD1-N 3.26Å; F112-V121 HydrophobicContact CE1-CG2 4.27Å; F112-V121 HydrophobicContact CE2-CB 4.1Å; F112-V121 HydrophobicContact CZ-CB 3.6Å; F112-V121 HydrophobicContact CZ-CG2 3.58Å |
| 113 | Y | 53.3 | Low | 61.3 | Low | 220 Ų | 220 | 97.7 Ų | 97.7 | 86% | 0.863 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -12 | 161.1 | -104.4 | -88.3 | 0 | 0 | 0 | 112.4 | E111 | E111-Y113 VanDerWaalsContact C-N 3.31Å; E111-Y113 PolarHBondContact O-N 3.37Å |
| 114 | T | 54.8 | Low | 60.6 | Low | 88 Ų | 88 | 98.4 Ų | 98.4 | 54% | 0.54 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -104.8 | 103.2 | 171.9 | 69.8 | 0 | 0 | 0 | 0 | 110.3 | E111 F112 N116 | E111-T114 WeakPolarHBondContact O-CA 3.21Å; E111-T114 PolarHBondContact O-N 2.89Å; E111-T114 PolarHBondContact O-OG1 2.73Å; F112-T114 PolarHBondContact O-N 3.42Å; T114-N116 PolarHBondContact O-N 2.89Å |
| 115 | V | 53.9 | Low | 60.2 | Low | 124 Ų | 124 | 96.2 Ų | 96.2 | 75% | 0.752 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -1.2 | 108.7 | 164.6 | -163.8 | 0 | 0 | 0 | 0 | 115.3 | ||
| 116 | N | 59.6 | Low | 60 | Low | 149 Ų | 149 | 96.7 Ų | 96.7 | 80% | 0.797 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.2 | 0.8 | 157.4 | -55.2 | -19.9 | 0 | 0 | 0 | 121.5 | T114 | T114-N116 PolarHBondContact O-N 2.89Š|
| 117 | R | 56.3 | Low | 59.8 | Low | 159 Ų | 159 | 90.9 Ų | 90.9 | 60% | 0.6 | 50% | 0.495 | S | S | * | . | trans | -93.9 | -11.2 | 173.8 | -70.5 | -176.2 | 174.1 | 170 | -2.5 | 115.1 | E111 F112 Q119 | E111-R117 IonicContact OE2-CZ 3.98Å; E111-R117 IonicContact OE2-NH1 2.87Å; E111-R117 PolarHBondContact OE2-NH1 3.44Å; F112-R117 VanDerWaalsContact CD1-C 3.47Å; F112-R117 HydrophobicContact CD1-CB 3.89Å; F112-R117 HydrophobicContact CE1-CB 3.55Å; F112-R117 WeakPolarHBondContact CE1-O 3.41Å; F112-R117 VanDerWaalsContact CZ-O 3.24Å; F112-R117 WeakPolarHBondContact CZ-O 3.47Å; R117-Q119 PolarHBondContact O-N 3.26Å | ||
| 118 | G | 55.4 | Low | 59.6 | Low | 37 Ų | 37 | 89.8 Ų | 89.8 | 38% | 0.381 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -52.3 | -26.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | F112 | F112-G118 VanDerWaalsContact CD1-CA 3.44Å; F112-G118 VanDerWaalsContact CD1-N 3.26Å |
| 119 | Q | 59.8 | Low | 59.8 | Low | 176 Ų | 176 | 92.2 Ų | 92.2 | 82% | 0.822 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -84.8 | -24 | -161.2 | -150.7 | 172.1 | 4.9 | 0 | 0 | 114 | R117 P123 | R117-Q119 PolarHBondContact O-N 3.26Å; Q119-P123 WeakPolarHBondContact O-CD 3.35Å |
| 120 | T | 59.9 | Low | 60.3 | Low | 111 Ų | 111 | 95.3 Ų | 95.3 | 68% | 0.681 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -94.8 | -32.5 | -176.1 | 47.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 121 | V | 60.2 | Low | 60.9 | Low | 25 Ų | 25 | 92.9 Ų | 92.9 | 15% | 0.152 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -88.7 | -29.3 | -173.4 | -164.9 | 0 | 0 | 0 | 0 | 112.3 | I108 F112 L124 L125 | I108-V121 HydrophobicContact CD1-CB 4.08Å; I108-V121 HydrophobicContact CD1-CG1 3.22Å; I108-V121 HydrophobicContact CD1-CG2 3.96Å; I108-V121 HydrophobicContact CG1-CG1 4.42Å; I108-V121 HydrophobicContact CG2-CB 4.01Å; I108-V121 HydrophobicContact CG2-CG1 4.02Å; I108-V121 HydrophobicContact CG2-CG2 4.12Å; F112-V121 HydrophobicContact CE1-CG2 4.27Å; F112-V121 HydrophobicContact CE2-CB 4.1Å; F112-V121 HydrophobicContact CZ-CB 3.6Å; F112-V121 HydrophobicContact CZ-CG2 3.58Å; V121-L124 WeakPolarHBondContact O-CB 3.48Å; V121-L124 PolarHBondContact O-N 3.31Å; V121-L124 VanDerWaalsContact O-N 3.11Å; V121-L125 HydrophobicContact CG1-CD1 3.65Å; V121-L125 HydrophobicContact CG1-CG 4.29Å; V121-L125 PolarHBondContact O-N 3.43Å |
| 122 | G | 61.9 | Low | 61.4 | Low | 27 Ų | 27 | 91 Ų | 91 | 28% | 0.278 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -52.5 | -52 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L124 L125 L126 | G122-L124 VanDerWaalsContact C-N 3.32Å; G122-L124 PolarHBondContact O-N 3.43Å; G122-L125 PolarHBondContact O-N 2.98Å; G122-L126 PolarHBondContact O-N 3.34Å; G122-L126 VanDerWaalsContact O-N 3.15Å |
| 123 | P | 65.5 | Low | 62.4 | Low | 83 Ų | 83 | 92.9 Ų | 92.9 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -33.8 | 176.4 | -23.3 | 34 | 0 | 0 | 0 | 113.7 | Q119 L126 G127 | Q119-P123 WeakPolarHBondContact O-CD 3.35Å; P123-L126 PolarHBondContact O-N 2.81Å; P123-G127 PolarHBondContact O-N 2.88Å |
| 124 | L | 63.9 | Low | 63.6 | Low | 114 Ų | 114 | 87.1 Ų | 87.1 | 60% | 0.597 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.9 | -41.9 | -179.6 | -163.3 | 77.8 | 0 | 0 | 0 | 111.4 | V121 G122 G127 L128 | V121-L124 WeakPolarHBondContact O-CB 3.48Å; V121-L124 PolarHBondContact O-N 3.31Å; V121-L124 VanDerWaalsContact O-N 3.11Å; G122-L124 VanDerWaalsContact C-N 3.32Å; G122-L124 PolarHBondContact O-N 3.43Å; L124-G127 PolarHBondContact O-N 2.9Å; L124-L128 PolarHBondContact O-N 3.44Å; L124-L128 VanDerWaalsContact O-N 3.16Å |
| 125 | L | 63.2 | Low | 64.5 | Low | 23 Ų | 23 | 86.1 Ų | 86.1 | 12% | 0.12 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 175.6 | -81.3 | 150.7 | 0 | 0 | 0 | 111.7 | L101 H105 V121 G122 G127 L128 T129 | L101-L125 HydrophobicContact CB-CD2 4.28Å; L101-L125 HydrophobicContact CD2-CD2 3.94Å; H105-L125 HydrophobicContact CB-CD1 4.18Å; H105-L125 HydrophobicContact CB-CD2 3.9Å; V121-L125 HydrophobicContact CG1-CD1 3.65Å; V121-L125 HydrophobicContact CG1-CG 4.29Å; V121-L125 PolarHBondContact O-N 3.43Å; G122-L125 PolarHBondContact O-N 2.98Å; L125-G127 VanDerWaalsContact C-N 3.34Å; L125-G127 PolarHBondContact O-N 3.1Å; L125-L128 PolarHBondContact O-N 3.49Å; L125-T129 WeakPolarHBondContact O-CG2 3.34Å; L125-T129 PolarHBondContact O-N 3.14Å |
| 126 | L | 64.7 | Low | 65.3 | Low | 123 Ų | 123 | 85.9 Ų | 85.9 | 64% | 0.644 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.4 | -35 | 174.9 | -85.8 | 156.3 | 0 | 0 | 0 | 113.1 | G122 P123 L128 T129 | G122-L126 PolarHBondContact O-N 3.34Å; G122-L126 VanDerWaalsContact O-N 3.15Å; P123-L126 PolarHBondContact O-N 2.81Å; L126-L128 VanDerWaalsContact C-N 3.33Å; L126-T129 PolarHBondContact O-OG1 3.34Å |
| 127 | G | 66.1 | Low | 66.3 | Low | 39 Ų | 39 | 83.2 Ų | 83.2 | 40% | 0.402 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.6 | -34.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P123 L124 L125 | P123-G127 PolarHBondContact O-N 2.88Å; L124-G127 PolarHBondContact O-N 2.9Å; L125-G127 VanDerWaalsContact C-N 3.34Å; L125-G127 PolarHBondContact O-N 3.1Å |
| 128 | L | 65.4 | Low | 67.2 | Low | 52 Ų | 52 | 82.2 Ų | 82.2 | 27% | 0.272 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -83.9 | -18 | -174.7 | -141.5 | 141 | 0 | 0 | 0 | 113.1 | I97 L101 L124 L125 L126 I130 I131 P132 | I97-L128 HydrophobicContact CG2-CD2 3.26Å; L101-L128 HydrophobicContact CD1-CB 4Å; L101-L128 HydrophobicContact CD1-CD2 3.31Å; L101-L128 HydrophobicContact CD1-CG 4.16Å; L101-L128 HydrophobicContact CD2-CB 3.97Å; L101-L128 HydrophobicContact CD2-CD1 4.1Å; L101-L128 HydrophobicContact CD2-CD2 3.91Å; L101-L128 HydrophobicContact CD2-CG 4.16Å; L101-L128 HydrophobicContact CG-CD2 3.83Å; L124-L128 PolarHBondContact O-N 3.44Å; L124-L128 VanDerWaalsContact O-N 3.16Å; L125-L128 PolarHBondContact O-N 3.49Å; L126-L128 VanDerWaalsContact C-N 3.33Å; L128-I130 VanDerWaalsContact C-N 3.35Å; L128-I131 HydrophobicContact CG-CD1 4.14Å; L128-P132 WeakPolarHBondContact O-CD 3.21Å |
| 129 | T | 66.9 | Low | 68 | Low | 76 Ų | 76 | 82.3 Ų | 82.3 | 47% | 0.466 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -72.9 | -23.7 | 172 | 56 | 0 | 0 | 0 | 0 | 113.7 | L125 L126 I131 P132 | L125-T129 WeakPolarHBondContact O-CG2 3.34Å; L125-T129 PolarHBondContact O-N 3.14Å; L126-T129 PolarHBondContact O-OG1 3.34Å; T129-I131 VanDerWaalsContact C-N 3.28Å; T129-I131 PolarHBondContact O-N 3.5Å; T129-P132 VanDerWaalsContact O-CD 3.24Å; T129-P132 WeakPolarHBondContact O-CD 3.31Å; T129-P132 VanDerWaalsContact O-CG 3.26Å; T129-P132 WeakPolarHBondContact O-CG 3.45Å |
| 130 | I | 70.5 | Confident | 68.8 | Low | 97 Ų | 97 | 78.3 Ų | 78.3 | 50% | 0.497 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.5 | -34.5 | 177 | -66.2 | 169 | 0 | 0 | 0 | 110.5 | L128 L133 I134 | L128-I130 VanDerWaalsContact C-N 3.35Å; I130-L133 PolarHBondContact O-N 2.9Å; I130-I134 HydrophobicContact CG2-CD1 3.59Å; I130-I134 HydrophobicContact CG2-CG1 4.04Å; I130-I134 WeakPolarHBondContact O-CG1 3.19Å; I130-I134 PolarHBondContact O-N 3.3Å |
| 131 | I | 68.7 | Low | 69.6 | Low | 77 Ų | 77 | 76.7 Ų | 76.7 | 40% | 0.395 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -57.8 | -58 | -178.9 | -56.8 | -179.1 | 0 | 0 | 0 | 111.8 | L128 T129 L133 I134 F135 | L128-I131 HydrophobicContact CG-CD1 4.14Å; T129-I131 VanDerWaalsContact C-N 3.28Å; T129-I131 PolarHBondContact O-N 3.5Å; I131-L133 PolarHBondContact O-N 3.47Å; I131-I134 PolarHBondContact O-N 3.27Å; I131-F135 HydrophobicContact CG2-CD2 3.77Å; I131-F135 HydrophobicContact CG2-CE2 3.61Å; I131-F135 WeakPolarHBondContact O-CD2 3.38Å; I131-F135 PolarHBondContact O-N 3.4Å |
| 132 | P | 66.9 | Low | 70.3 | Confident | 46 Ų | 46 | 78 Ų | 78 | 30% | 0.299 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.1 | -31.4 | 178.4 | 24.3 | -33.5 | 0 | 0 | 0 | 112.5 | L94 L128 T129 F135 M136 | L94-P132 HydrophobicContact CD2-CB 4.49Å; L128-P132 WeakPolarHBondContact O-CD 3.21Å; T129-P132 VanDerWaalsContact O-CD 3.24Å; T129-P132 WeakPolarHBondContact O-CD 3.31Å; T129-P132 VanDerWaalsContact O-CG 3.26Å; T129-P132 WeakPolarHBondContact O-CG 3.45Å; P132-F135 PolarHBondContact O-N 3.3Å; P132-M136 WeakPolarHBondContact O-CB 3.41Å; P132-M136 VanDerWaalsContact O-CG 3.26Å; P132-M136 WeakPolarHBondContact O-CG 3.3Å; P132-M136 PolarHBondContact O-N 2.89Å |
| 133 | L | 74 | Confident | 70.7 | Confident | 104 Ų | 104 | 78.7 Ų | 78.7 | 55% | 0.545 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 176.9 | -166.2 | 152.4 | 0 | 0 | 0 | 111.6 | I130 I131 F135 M136 I137 | I130-L133 PolarHBondContact O-N 2.9Å; I131-L133 PolarHBondContact O-N 3.47Å; L133-F135 VanDerWaalsContact C-N 3.33Å; L133-F135 PolarHBondContact O-N 2.92Å; L133-M136 PolarHBondContact O-N 2.92Å; L133-I137 HydrophobicContact CD2-CD1 3.53Å; L133-I137 HydrophobicContact CD2-CG1 4.3Å; L133-I137 WeakPolarHBondContact O-CG1 3.48Å; L133-I137 PolarHBondContact O-N 3.34Å |
| 134 | I | 78 | Confident | 71 | Confident | 100 Ų | 100 | 81.6 Ų | 81.6 | 51% | 0.513 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 175.1 | -67.8 | 171.1 | 0 | 0 | 0 | 110.5 | I130 I131 M136 I137 Y138 | I130-I134 HydrophobicContact CG2-CD1 3.59Å; I130-I134 HydrophobicContact CG2-CG1 4.04Å; I130-I134 WeakPolarHBondContact O-CG1 3.19Å; I130-I134 PolarHBondContact O-N 3.3Å; I131-I134 PolarHBondContact O-N 3.27Å; I134-M136 PolarHBondContact O-N 2.93Å; I134-I137 PolarHBondContact O-N 2.82Å; I134-Y138 WeakPolarHBondContact O-CB 3.24Å; I134-Y138 PolarHBondContact O-N 2.87Å |
| 135 | F | 73.7 | Confident | 71.5 | Confident | 67 Ų | 67 | 82 Ų | 82 | 29% | 0.294 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 176.4 | -85.2 | -72.4 | 0 | 0 | 0 | 111.6 | L94 I131 P132 L133 I137 Y138 F139 | L94-F135 HydrophobicContact CD1-CB 3.67Å; L94-F135 HydrophobicContact CD1-CD1 4.44Å; L94-F135 HydrophobicContact CD1-CD2 4.06Å; L94-F135 HydrophobicContact CD1-CG 3.82Å; L94-F135 HydrophobicContact CD2-CD2 3.85Å; L94-F135 HydrophobicContact CD2-CE2 4.28Å; L94-F135 HydrophobicContact CD2-CG 4.46Å; I131-F135 HydrophobicContact CG2-CD2 3.77Å; I131-F135 HydrophobicContact CG2-CE2 3.61Å; I131-F135 WeakPolarHBondContact O-CD2 3.38Å; I131-F135 PolarHBondContact O-N 3.4Å; P132-F135 PolarHBondContact O-N 3.3Å; L133-F135 VanDerWaalsContact C-N 3.33Å; L133-F135 PolarHBondContact O-N 2.92Å; F135-I137 VanDerWaalsContact C-N 3.34Å; F135-I137 PolarHBondContact O-N 3.23Å; F135-Y138 WeakPolarHBondContact O-CB 3.38Å; F135-Y138 PolarHBondContact O-N 3.41Å; F135-Y138 VanDerWaalsContact O-N 3.14Å; F135-F139 HydrophobicContact CB-CD2 4.23Å; F135-F139 HydrophobicContact CB-CE2 3.94Å; F135-F139 HydrophobicContact CD1-CE2 4.09Å; F135-F139 HydrophobicContact CG-CE2 4.44Å; F135-F139 WeakPolarHBondContact O-CD2 2.93Å; F135-F139 WeakPolarHBondContact O-CG 3.41Å; F135-F139 PolarHBondContact O-N 3.28Å |
| 136 | M | 71.2 | Confident | 71.8 | Confident | 118 Ų | 118 | 85.4 Ų | 85.4 | 58% | 0.581 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -57.2 | -45.7 | 176.4 | -75.7 | -65.7 | -68.5 | 0 | 0 | 112 | P132 L133 I134 Y138 F139 I140 | P132-M136 WeakPolarHBondContact O-CB 3.41Å; P132-M136 VanDerWaalsContact O-CG 3.26Å; P132-M136 WeakPolarHBondContact O-CG 3.3Å; P132-M136 PolarHBondContact O-N 2.89Å; L133-M136 PolarHBondContact O-N 2.92Å; I134-M136 PolarHBondContact O-N 2.93Å; M136-Y138 PolarHBondContact O-N 3.04Å; M136-F139 PolarHBondContact O-N 3.49Å; M136-I140 WeakPolarHBondContact O-CB 3.48Å; M136-I140 WeakPolarHBondContact O-CD1 3.36Å; M136-I140 WeakPolarHBondContact O-CG1 3.48Å; M136-I140 PolarHBondContact O-N 2.94Å |
| 137 | I | 79.6 | Confident | 72 | Confident | 93 Ų | 93 | 83.6 Ų | 83.6 | 48% | 0.477 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 175.7 | -65.5 | 171.7 | 0 | 0 | 0 | 110.5 | L133 I134 F135 F139 I140 C141 | L133-I137 HydrophobicContact CD2-CD1 3.53Å; L133-I137 HydrophobicContact CD2-CG1 4.3Å; L133-I137 WeakPolarHBondContact O-CG1 3.48Å; L133-I137 PolarHBondContact O-N 3.34Å; I134-I137 PolarHBondContact O-N 2.82Å; F135-I137 VanDerWaalsContact C-N 3.34Å; F135-I137 PolarHBondContact O-N 3.23Å; I137-F139 PolarHBondContact O-N 3.31Å; I137-I140 PolarHBondContact O-N 2.88Å; I137-C141 PolarHBondContact O-N 2.86Å; I137-C141 PolarHBondContact O-SG 3.23Å |
| 138 | Y | 76 | Confident | 72.2 | Confident | 138 Ų | 138 | 84.3 Ų | 84.3 | 54% | 0.541 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 178.6 | 179.4 | -102.6 | 0 | 0 | 0 | 112.2 | I134 F135 M136 I140 C141 I142 | I134-Y138 WeakPolarHBondContact O-CB 3.24Å; I134-Y138 PolarHBondContact O-N 2.87Å; F135-Y138 WeakPolarHBondContact O-CB 3.38Å; F135-Y138 PolarHBondContact O-N 3.41Å; F135-Y138 VanDerWaalsContact O-N 3.14Å; M136-Y138 PolarHBondContact O-N 3.04Å; Y138-I140 PolarHBondContact O-N 3.36Å; Y138-C141 PolarHBondContact O-N 3.5Å; Y138-I142 HydrophobicContact CD1-CD1 3.91Å; Y138-I142 HydrophobicContact CE1-CD1 3.24Å; Y138-I142 HydrophobicContact CE1-CG1 4.26Å; Y138-I142 HydrophobicContact CE2-CD1 4.05Å; Y138-I142 HydrophobicContact CE2-CG1 4.49Å; Y138-I142 PolarHBondContact O-N 3.42Å; Y138-I142 WeakPolarHBondContact OH-CD1 3.27Å |
| 139 | F | 71.8 | Confident | 72.3 | Confident | 39 Ų | 39 | 84.6 Ų | 84.6 | 17% | 0.171 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63 | -41.2 | 175.8 | -73.3 | -65.5 | 0 | 0 | 0 | 111.8 | L87 F90 L94 F135 M136 I137 C141 I142 A143 | L87-F139 HydrophobicContact CB-CD1 4.17Å; L87-F139 HydrophobicContact CB-CE1 3.59Å; L87-F139 HydrophobicContact CB-CZ 4.44Å; L87-F139 HydrophobicContact CD1-CD1 3.87Å; L87-F139 HydrophobicContact CD1-CE1 4.08Å; L87-F139 HydrophobicContact CD2-CD1 3.73Å; L87-F139 HydrophobicContact CD2-CE1 3.29Å; L87-F139 HydrophobicContact CD2-CZ 4.45Å; L87-F139 HydrophobicContact CG-CD1 4.05Å; L87-F139 HydrophobicContact CG-CE1 3.73Å; F90-F139 HydrophobicContact CB-CZ 3.99Å; L94-F139 HydrophobicContact CD1-CE2 4.37Å; F135-F139 HydrophobicContact CB-CD2 4.23Å; F135-F139 HydrophobicContact CB-CE2 3.94Å; F135-F139 HydrophobicContact CD1-CE2 4.09Å; F135-F139 HydrophobicContact CG-CE2 4.44Å; F135-F139 WeakPolarHBondContact O-CD2 2.93Å; F135-F139 WeakPolarHBondContact O-CG 3.41Å; F135-F139 PolarHBondContact O-N 3.28Å; M136-F139 PolarHBondContact O-N 3.49Å; I137-F139 PolarHBondContact O-N 3.31Å; F139-C141 VanDerWaalsContact C-N 3.34Å; F139-C141 PolarHBondContact O-N 2.99Å; F139-I142 PolarHBondContact O-N 3.15Å; F139-A143 WeakPolarHBondContact O-CB 3.26Å; F139-A143 PolarHBondContact O-N 3.25Å |
| 140 | I | 75.8 | Confident | 72.3 | Confident | 92 Ų | 92 | 87.7 Ų | 87.7 | 47% | 0.472 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 175.5 | -69.6 | 163.7 | 0 | 0 | 0 | 110.3 | M136 I137 Y138 A143 K144 | M136-I140 WeakPolarHBondContact O-CB 3.48Å; M136-I140 WeakPolarHBondContact O-CD1 3.36Å; M136-I140 WeakPolarHBondContact O-CG1 3.48Å; M136-I140 PolarHBondContact O-N 2.94Å; I137-I140 PolarHBondContact O-N 2.88Å; Y138-I140 PolarHBondContact O-N 3.36Å; I140-A143 PolarHBondContact O-N 2.85Å; I140-K144 HydrophobicContact CG2-CG 4.32Å; I140-K144 WeakPolarHBondContact O-CB 3.46Å; I140-K144 WeakPolarHBondContact O-CG 3.2Å; I140-K144 PolarHBondContact O-N 2.94Å |
| 141 | C | 77.5 | Confident | 72.2 | Confident | 77 Ų | 77 | 89.6 Ų | 89.6 | 52% | 0.52 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 177.5 | -69.6 | 0 | 0 | 0 | 0 | 112.1 | I137 Y138 F139 K144 H145 | I137-C141 PolarHBondContact O-N 2.86Å; I137-C141 PolarHBondContact O-SG 3.23Å; Y138-C141 PolarHBondContact O-N 3.5Å; F139-C141 VanDerWaalsContact C-N 3.34Å; F139-C141 PolarHBondContact O-N 2.99Å; C141-K144 PolarHBondContact O-N 3.34Å; C141-H145 PolarHBondContact O-N 3.39Å |
| 142 | I | 75.2 | Confident | 72.5 | Confident | 52 Ų | 52 | 92 Ų | 92 | 27% | 0.267 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 176.1 | -72 | -175.1 | 0 | 0 | 0 | 111 | Y138 F139 K144 H145 K146 | Y138-I142 HydrophobicContact CD1-CD1 3.91Å; Y138-I142 HydrophobicContact CE1-CD1 3.24Å; Y138-I142 HydrophobicContact CE1-CG1 4.26Å; Y138-I142 HydrophobicContact CE2-CD1 4.05Å; Y138-I142 HydrophobicContact CE2-CG1 4.49Å; Y138-I142 PolarHBondContact O-N 3.42Å; Y138-I142 WeakPolarHBondContact OH-CD1 3.27Å; F139-I142 PolarHBondContact O-N 3.15Å; I142-K144 VanDerWaalsContact C-N 3.3Å; I142-K144 PolarHBondContact O-N 3.5Å; I142-H145 PolarHBondContact O-N 2.84Å; I142-K146 HydrophobicContact CG2-CG 4.21Å; I142-K146 WeakPolarHBondContact O-CB 3.5Å; I142-K146 WeakPolarHBondContact O-CG 3.24Å; I142-K146 PolarHBondContact O-N 2.88Å |
| 143 | A | 70.7 | Confident | 72.7 | Confident | 43 Ų | 43 | 95.2 Ų | 95.2 | 36% | 0.355 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.4 | F139 I140 H145 K146 I147 | F139-A143 WeakPolarHBondContact O-CB 3.26Å; F139-A143 PolarHBondContact O-N 3.25Å; I140-A143 PolarHBondContact O-N 2.85Å; A143-H145 PolarHBondContact O-N 3.38Å; A143-K146 PolarHBondContact O-N 3.35Å; A143-I147 HydrophobicContact CB-CD1 4.49Å; A143-I147 VanDerWaalsContact O-CB 3.28Å; A143-I147 WeakPolarHBondContact O-CB 3.49Å; A143-I147 VanDerWaalsContact O-CD1 3.32Å; A143-I147 WeakPolarHBondContact O-CD1 3.38Å; A143-I147 WeakPolarHBondContact O-CG1 3.43Å; A143-I147 PolarHBondContact O-N 3.41Å |
| 144 | K | 72.3 | Confident | 72.7 | Confident | 144 Ų | 144 | 94.9 Ų | 94.9 | 63% | 0.626 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.1 | -44.6 | 175.6 | -72.8 | -76.4 | 176.5 | 177.9 | 0 | 112.1 | I140 C141 I142 I147 A148 | I140-K144 HydrophobicContact CG2-CG 4.32Å; I140-K144 WeakPolarHBondContact O-CB 3.46Å; I140-K144 WeakPolarHBondContact O-CG 3.2Å; I140-K144 PolarHBondContact O-N 2.94Å; C141-K144 PolarHBondContact O-N 3.34Å; I142-K144 VanDerWaalsContact C-N 3.3Å; I142-K144 PolarHBondContact O-N 3.5Å; K144-I147 PolarHBondContact O-N 3.49Å; K144-A148 WeakPolarHBondContact O-CB 3.44Å; K144-A148 PolarHBondContact O-N 3.23Å |
| 145 | H | 72.5 | Confident | 72.7 | Confident | 121 Ų | 121 | 92.4 Ų | 92.4 | 56% | 0.56 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.4 | -46.6 | 176.4 | -168.6 | -62.5 | 0 | 0 | 0 | 111.5 | C141 I142 A143 I147 A148 D149 | C141-H145 PolarHBondContact O-N 3.39Å; I142-H145 PolarHBondContact O-N 2.84Å; A143-H145 PolarHBondContact O-N 3.38Å; H145-I147 PolarHBondContact O-N 2.81Å; H145-A148 PolarHBondContact O-N 2.99Å; H145-D149 IonicContact CE1-OD1 3.5Å; H145-D149 PolarHBondContact CE1-OD1 3.47Å; H145-D149 IonicContact CE1-OD2 3.23Å; H145-D149 PolarHBondContact CE1-OD2 2.85Å; H145-D149 VanDerWaalsContact CE1-OD2 3.23Å; H145-D149 IonicContact ND1-OD1 3.64Å; H145-D149 IonicContact ND1-OD2 2.87Å; H145-D149 PolarHBondContact ND1-OD2 3.31Å; H145-D149 VanDerWaalsContact O-CG 3.22Å; H145-D149 PolarHBondContact O-N 3.49Å |
| 146 | K | 70.5 | Confident | 72.8 | Confident | 95 Ų | 95 | 94 Ų | 94 | 41% | 0.413 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 177.5 | -71.6 | -67.8 | -176.4 | -173.7 | 0 | 111.6 | I142 A143 A148 D149 Y150 | I142-K146 HydrophobicContact CG2-CG 4.21Å; I142-K146 WeakPolarHBondContact O-CB 3.5Å; I142-K146 WeakPolarHBondContact O-CG 3.24Å; I142-K146 PolarHBondContact O-N 2.88Å; A143-K146 PolarHBondContact O-N 3.35Å; K146-A148 VanDerWaalsContact C-N 3.33Å; K146-A148 PolarHBondContact O-N 2.94Å; K146-D149 PolarHBondContact O-N 2.84Å; K146-Y150 HydrophobicContact CB-CD2 4.4Å; K146-Y150 HydrophobicContact CB-CE2 4.32Å; K146-Y150 WeakPolarHBondContact O-CD2 3.49Å; K146-Y150 PolarHBondContact O-N 3.18Å |
| 147 | I | 68.4 | Low | 73.1 | Confident | 85 Ų | 85 | 93.6 Ų | 93.6 | 44% | 0.436 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 178.2 | -69.6 | 162.9 | 0 | 0 | 0 | 110.2 | A143 K144 H145 Y150 F151 | A143-I147 HydrophobicContact CB-CD1 4.49Å; A143-I147 VanDerWaalsContact O-CB 3.28Å; A143-I147 WeakPolarHBondContact O-CB 3.49Å; A143-I147 VanDerWaalsContact O-CD1 3.32Å; A143-I147 WeakPolarHBondContact O-CD1 3.38Å; A143-I147 WeakPolarHBondContact O-CG1 3.43Å; A143-I147 PolarHBondContact O-N 3.41Å; K144-I147 PolarHBondContact O-N 3.49Å; H145-I147 PolarHBondContact O-N 2.81Å; I147-Y150 PolarHBondContact O-N 3.39Å; I147-F151 HydrophobicContact CG2-CD2 3.5Å; I147-F151 HydrophobicContact CG2-CE2 3.64Å; I147-F151 WeakPolarHBondContact O-CB 3.22Å; I147-F151 WeakPolarHBondContact O-CD2 3.08Å; I147-F151 PolarHBondContact O-N 3.28Å |
| 148 | A | 70.1 | Confident | 72.9 | Confident | 55 Ų | 55 | 96.2 Ų | 96.2 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.2 | -47.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K144 H145 K146 Y150 F151 E152 | K144-A148 WeakPolarHBondContact O-CB 3.44Å; K144-A148 PolarHBondContact O-N 3.23Å; H145-A148 PolarHBondContact O-N 2.99Å; K146-A148 VanDerWaalsContact C-N 3.33Å; K146-A148 PolarHBondContact O-N 2.94Å; A148-Y150 VanDerWaalsContact C-N 3.31Å; A148-Y150 PolarHBondContact O-N 3.27Å; A148-F151 PolarHBondContact O-N 2.86Å; A148-E152 WeakPolarHBondContact O-CB 3.31Å; A148-E152 PolarHBondContact O-N 3.43Å |
| 149 | D | 67.7 | Low | 72.9 | Confident | 57 Ų | 57 | 97.1 Ų | 97.1 | 31% | 0.305 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 175.9 | -62.4 | -30.5 | 0 | 0 | 0 | 111.3 | H145 K146 E152 Q153 | H145-D149 IonicContact CE1-OD1 3.5Å; H145-D149 PolarHBondContact CE1-OD1 3.47Å; H145-D149 IonicContact CE1-OD2 3.23Å; H145-D149 PolarHBondContact CE1-OD2 2.85Å; H145-D149 VanDerWaalsContact CE1-OD2 3.23Å; H145-D149 IonicContact ND1-OD1 3.64Å; H145-D149 IonicContact ND1-OD2 2.87Å; H145-D149 PolarHBondContact ND1-OD2 3.31Å; H145-D149 VanDerWaalsContact O-CG 3.22Å; H145-D149 PolarHBondContact O-N 3.49Å; K146-D149 PolarHBondContact O-N 2.84Å; D149-E152 PolarHBondContact O-N 2.94Å; D149-Q153 WeakPolarHBondContact O-CB 3.29Å; D149-Q153 VanDerWaalsContact O-CG 3.3Å; D149-Q153 WeakPolarHBondContact O-CG 3.47Å; D149-Q153 PolarHBondContact O-N 2.87Å |
| 150 | Y | 67.5 | Low | 73.3 | Confident | 141 Ų | 141 | 97.8 Ų | 97.8 | 55% | 0.553 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.9 | -42.1 | 177.3 | -80.1 | -63.4 | 0 | 0 | 0 | 112.2 | K146 I147 A148 Q153 L154 | K146-Y150 HydrophobicContact CB-CD2 4.4Å; K146-Y150 HydrophobicContact CB-CE2 4.32Å; K146-Y150 WeakPolarHBondContact O-CD2 3.49Å; K146-Y150 PolarHBondContact O-N 3.18Å; I147-Y150 PolarHBondContact O-N 3.39Å; A148-Y150 VanDerWaalsContact C-N 3.31Å; A148-Y150 PolarHBondContact O-N 3.27Å; Y150-Q153 PolarHBondContact O-N 3.47Å; Y150-L154 VanDerWaalsContact O-CB 3.24Å; Y150-L154 WeakPolarHBondContact O-CB 3.3Å; Y150-L154 PolarHBondContact O-N 3.46Å |
| 151 | F | 67.9 | Low | 73.5 | Confident | 138 Ų | 138 | 100.5 Ų | 100.5 | 61% | 0.605 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.8 | -39.4 | 176.8 | -95.9 | -79.2 | 0 | 0 | 0 | 111.8 | I147 A148 L154 A155 | I147-F151 HydrophobicContact CG2-CD2 3.5Å; I147-F151 HydrophobicContact CG2-CE2 3.64Å; I147-F151 WeakPolarHBondContact O-CB 3.22Å; I147-F151 WeakPolarHBondContact O-CD2 3.08Å; I147-F151 PolarHBondContact O-N 3.28Å; A148-F151 PolarHBondContact O-N 2.86Å; F151-L154 PolarHBondContact O-N 3.23Å; F151-A155 VanDerWaalsContact O-CB 3.3Å; F151-A155 WeakPolarHBondContact O-CB 3.39Å; F151-A155 PolarHBondContact O-N 2.9Å |
| 152 | E | 74.7 | Confident | 73.7 | Confident | 127 Ų | 127 | 101.5 Ų | 101.5 | 59% | 0.593 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65 | -45.9 | 176.7 | -171.1 | 174.6 | -178.1 | 0 | 0 | 111 | A148 D149 L154 A155 L156 | A148-E152 WeakPolarHBondContact O-CB 3.31Å; A148-E152 PolarHBondContact O-N 3.43Å; D149-E152 PolarHBondContact O-N 2.94Å; E152-L154 VanDerWaalsContact C-N 3.33Å; E152-L154 PolarHBondContact O-N 3.4Å; E152-A155 PolarHBondContact O-N 3.5Å; E152-L156 HydrophobicContact CG-CD1 4.47Å; E152-L156 WeakPolarHBondContact O-CG 3.26Å; E152-L156 PolarHBondContact O-N 3.29Å |
| 153 | Q | 72.7 | Confident | 74.1 | Confident | 114 Ų | 114 | 107.5 Ų | 107.5 | 53% | 0.533 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 174.5 | -72 | 178.7 | 14.9 | 0 | 0 | 112.2 | D149 Y150 L156 N157 | D149-Q153 WeakPolarHBondContact O-CB 3.29Å; D149-Q153 VanDerWaalsContact O-CG 3.3Å; D149-Q153 WeakPolarHBondContact O-CG 3.47Å; D149-Q153 PolarHBondContact O-N 2.87Å; Y150-Q153 PolarHBondContact O-N 3.47Å; Q153-L156 PolarHBondContact O-N 3.5Å; Q153-N157 WeakPolarHBondContact O-CB 3.39Å; Q153-N157 PolarHBondContact O-N 2.88Å; Q153-N157 PolarHBondContact O-ND2 3.14Å |
| 154 | L | 73.7 | Confident | 74.7 | Confident | 97 Ų | 97 | 108.9 Ų | 108.9 | 51% | 0.508 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 177 | -171.3 | 67.7 | 0 | 0 | 0 | 111.1 | Y150 F151 E152 N157 Y158 | Y150-L154 VanDerWaalsContact O-CB 3.24Å; Y150-L154 WeakPolarHBondContact O-CB 3.3Å; Y150-L154 PolarHBondContact O-N 3.46Å; F151-L154 PolarHBondContact O-N 3.23Å; E152-L154 VanDerWaalsContact C-N 3.33Å; E152-L154 PolarHBondContact O-N 3.4Å; L154-N157 PolarHBondContact O-N 2.82Å; L154-Y158 VanDerWaalsContact O-CB 3.3Å; L154-Y158 WeakPolarHBondContact O-CB 3.27Å; L154-Y158 PolarHBondContact O-N 3.49Å |
| 155 | A | 77 | Confident | 75.2 | Confident | 48 Ų | 48 | 104.4 Ų | 104.4 | 40% | 0.397 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | F151 E152 Y158 R159 | F151-A155 VanDerWaalsContact O-CB 3.3Å; F151-A155 WeakPolarHBondContact O-CB 3.39Å; F151-A155 PolarHBondContact O-N 2.9Å; E152-A155 PolarHBondContact O-N 3.5Å; A155-Y158 PolarHBondContact O-N 3.4Å; A155-R159 WeakPolarHBondContact O-CB 3.01Å; A155-R159 WeakPolarHBondContact O-CG 3.36Å; A155-R159 PolarHBondContact O-N 2.89Å |
| 156 | L | 75.9 | Confident | 75.9 | Confident | 101 Ų | 101 | 105.3 Ų | 105.3 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 175.4 | -70.9 | 174 | 0 | 0 | 0 | 111.8 | E152 Q153 R159 A160 | E152-L156 HydrophobicContact CG-CD1 4.47Å; E152-L156 WeakPolarHBondContact O-CG 3.26Å; E152-L156 PolarHBondContact O-N 3.29Å; Q153-L156 PolarHBondContact O-N 3.5Å; L156-R159 PolarHBondContact O-N 3.28Å; L156-A160 WeakPolarHBondContact O-CB 3.46Å; L156-A160 PolarHBondContact O-N 2.91Å |
| 157 | N | 78.4 | Confident | 76.5 | Confident | 108 Ų | 108 | 109.5 Ų | 109.5 | 58% | 0.578 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.2 | -42.2 | 176.3 | -80.1 | -32.8 | 0 | 0 | 0 | 111.8 | Q153 L154 A160 K161 | Q153-N157 WeakPolarHBondContact O-CB 3.39Å; Q153-N157 PolarHBondContact O-N 2.88Å; Q153-N157 PolarHBondContact O-ND2 3.14Å; L154-N157 PolarHBondContact O-N 2.82Å; N157-A160 PolarHBondContact O-N 3.32Å; N157-K161 WeakPolarHBondContact O-CB 3.3Å; N157-K161 PolarHBondContact O-N 3.02Å |
| 158 | Y | 75.7 | Confident | 77.3 | Confident | 148 Ų | 148 | 112.1 Ų | 112.1 | 58% | 0.58 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.2 | -47.5 | 177.3 | -168.4 | -97.1 | 0 | 0 | 0 | 111.1 | L154 A155 A160 K161 E162 | L154-Y158 VanDerWaalsContact O-CB 3.3Å; L154-Y158 WeakPolarHBondContact O-CB 3.27Å; L154-Y158 PolarHBondContact O-N 3.49Å; A155-Y158 PolarHBondContact O-N 3.4Å; Y158-A160 VanDerWaalsContact C-N 3.33Å; Y158-A160 PolarHBondContact O-N 3.46Å; Y158-K161 WeakPolarHBondContact O-CB 3.07Å; Y158-K161 PolarHBondContact O-N 3.27Å; Y158-K161 VanDerWaalsContact O-N 3.15Å; Y158-E162 HydrophobicContact CD1-CG 4.12Å; Y158-E162 VanDerWaalsContact CE1-CD 3.41Å; Y158-E162 HydrophobicContact CE1-CG 3.89Å; Y158-E162 WeakPolarHBondContact CE1-OE1 3.19Å; Y158-E162 WeakPolarHBondContact O-CG 3.46Å; Y158-E162 PolarHBondContact O-N 3.48Å |
| 159 | R | 75.9 | Confident | 78.1 | Confident | 158 Ų | 158 | 116.6 Ų | 116.6 | 60% | 0.596 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.8 | -37.3 | 175.3 | -73.3 | 179.9 | -178.9 | 176.7 | 2.2 | 113.2 | A155 L156 E162 R163 | A155-R159 WeakPolarHBondContact O-CB 3.01Å; A155-R159 WeakPolarHBondContact O-CG 3.36Å; A155-R159 PolarHBondContact O-N 2.89Å; L156-R159 PolarHBondContact O-N 3.28Å; R159-E162 PolarHBondContact O-N 2.88Å; R159-R163 WeakPolarHBondContact O-CG 3.24Å; R159-R163 PolarHBondContact O-N 2.88Å |
| 160 | A | 80.5 | Confident | 78.9 | Confident | 52 Ų | 52 | 118.8 Ų | 118.8 | 43% | 0.43 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L156 N157 Y158 R163 T164 | L156-A160 WeakPolarHBondContact O-CB 3.46Å; L156-A160 PolarHBondContact O-N 2.91Å; N157-A160 PolarHBondContact O-N 3.32Å; Y158-A160 VanDerWaalsContact C-N 3.33Å; Y158-A160 PolarHBondContact O-N 3.46Å; A160-R163 PolarHBondContact O-N 3.39Å; A160-T164 WeakPolarHBondContact O-CG2 3.37Å; A160-T164 PolarHBondContact O-N 3.43Å; A160-T164 PolarHBondContact O-OG1 2.78Å |
| 161 | K | 79.9 | Confident | 79.8 | Confident | 150 Ų | 150 | 114 Ų | 114 | 65% | 0.652 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.9 | -40.8 | 174.4 | -166.4 | 174.1 | -178.3 | 178.8 | 0 | 111.7 | N157 Y158 T164 A165 | N157-K161 WeakPolarHBondContact O-CB 3.3Å; N157-K161 PolarHBondContact O-N 3.02Å; Y158-K161 WeakPolarHBondContact O-CB 3.07Å; Y158-K161 PolarHBondContact O-N 3.27Å; Y158-K161 VanDerWaalsContact O-N 3.15Å; K161-T164 WeakPolarHBondContact CA-OG1 3.33Å; K161-T164 PolarHBondContact O-N 2.84Å; K161-T164 PolarHBondContact O-OG1 2.95Å; K161-A165 VanDerWaalsContact O-CB 3.31Å; K161-A165 WeakPolarHBondContact O-CB 3.45Å; K161-A165 PolarHBondContact O-N 3.31Å |
| 162 | E | 81.7 | Confident | 80.5 | Confident | 98 Ų | 98 | 112.9 Ų | 112.9 | 46% | 0.458 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 174.1 | -73.6 | -176.4 | 145.9 | 0 | 0 | 112.2 | Y158 R159 T164 A165 Y166 | Y158-E162 HydrophobicContact CD1-CG 4.12Å; Y158-E162 VanDerWaalsContact CE1-CD 3.41Å; Y158-E162 HydrophobicContact CE1-CG 3.89Å; Y158-E162 WeakPolarHBondContact CE1-OE1 3.19Å; Y158-E162 WeakPolarHBondContact O-CG 3.46Å; Y158-E162 PolarHBondContact O-N 3.48Å; R159-E162 PolarHBondContact O-N 2.88Å; E162-T164 VanDerWaalsContact C-N 3.33Å; E162-T164 PolarHBondContact O-N 3.2Å; E162-A165 PolarHBondContact O-N 3.48Å; E162-Y166 WeakPolarHBondContact O-CB 3.08Å; E162-Y166 PolarHBondContact O-N 3.39Å |
| 163 | R | 83 | Confident | 81 | Confident | 177 Ų | 177 | 110.7 Ų | 110.7 | 67% | 0.668 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.8 | -39.4 | 177.7 | -75.9 | 178.3 | -177.5 | 173.6 | 0.4 | 112.6 | R159 A160 R167 | R159-R163 WeakPolarHBondContact O-CG 3.24Å; R159-R163 PolarHBondContact O-N 2.88Å; A160-R163 PolarHBondContact O-N 3.39Å; R163-R167 WeakPolarHBondContact O-CG 3.45Å; R163-R167 PolarHBondContact O-N 3.23Å; R163-R167 VanDerWaalsContact O-N 3.09Å |
| 164 | T | 82.5 | Confident | 81.4 | Confident | 73 Ų | 73 | 107.4 Ų | 107.4 | 45% | 0.448 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.3 | -43.5 | 177.8 | 46.2 | 0 | 0 | 0 | 0 | 111.3 | A160 K161 E162 Y166 R167 Q168 | A160-T164 WeakPolarHBondContact O-CG2 3.37Å; A160-T164 PolarHBondContact O-N 3.43Å; A160-T164 PolarHBondContact O-OG1 2.78Å; K161-T164 WeakPolarHBondContact CA-OG1 3.33Å; K161-T164 PolarHBondContact O-N 2.84Å; K161-T164 PolarHBondContact O-OG1 2.95Å; E162-T164 VanDerWaalsContact C-N 3.33Å; E162-T164 PolarHBondContact O-N 3.2Å; T164-Y166 VanDerWaalsContact C-N 3.35Å; T164-Y166 PolarHBondContact O-N 3.06Å; T164-R167 PolarHBondContact O-N 2.83Å; T164-Q168 WeakPolarHBondContact O-CG 3.42Å; T164-Q168 PolarHBondContact O-N 2.93Å |
| 165 | A | 83.1 | Confident | 81.7 | Confident | 49 Ų | 49 | 110.5 Ų | 110.5 | 41% | 0.405 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K161 E162 Q168 Y169 | K161-A165 VanDerWaalsContact O-CB 3.31Å; K161-A165 WeakPolarHBondContact O-CB 3.45Å; K161-A165 PolarHBondContact O-N 3.31Å; E162-A165 PolarHBondContact O-N 3.48Å; A165-Q168 PolarHBondContact O-N 3.27Å; A165-Y169 WeakPolarHBondContact O-CB 3.39Å; A165-Y169 PolarHBondContact O-N 3.25Å |
| 166 | Y | 86.5 | Confident | 81.8 | Confident | 141 Ų | 141 | 111 Ų | 111 | 55% | 0.553 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65 | -40.7 | 177.4 | -173 | -100.1 | 0 | 0 | 0 | 112.5 | E162 T164 Y169 Q170 | E162-Y166 WeakPolarHBondContact O-CB 3.08Å; E162-Y166 PolarHBondContact O-N 3.39Å; T164-Y166 VanDerWaalsContact C-N 3.35Å; T164-Y166 PolarHBondContact O-N 3.06Å; Y166-Y169 PolarHBondContact O-N 3.43Å; Y166-Q170 HydrophobicContact CD1-CG 4.38Å; Y166-Q170 HydrophobicContact CE1-CG 3.96Å; Y166-Q170 VanDerWaalsContact CZ-NE2 3.31Å; Y166-Q170 PolarHBondContact O-N 3.11Å; Y166-Q170 PolarHBondContact OH-NE2 3.46Å |
| 167 | R | 84.6 | Confident | 81.6 | Confident | 182 Ų | 182 | 109.2 Ų | 109.2 | 69% | 0.687 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.2 | -39.9 | 174 | -74.3 | 175.7 | -176.7 | 172.6 | -0.2 | 112.1 | R163 T164 Q170 A171 | R163-R167 WeakPolarHBondContact O-CG 3.45Å; R163-R167 PolarHBondContact O-N 3.23Å; R163-R167 VanDerWaalsContact O-N 3.09Å; T164-R167 PolarHBondContact O-N 2.83Å; R167-Q170 PolarHBondContact O-N 2.83Å; R167-A171 WeakPolarHBondContact O-CB 3.14Å; R167-A171 PolarHBondContact O-N 2.83Å |
| 168 | Q | 84.5 | Confident | 81.2 | Confident | 141 Ų | 141 | 108.6 Ų | 108.6 | 66% | 0.659 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.7 | -44.5 | 174.5 | -74.1 | 176.8 | -34.2 | 0 | 0 | 111.2 | T164 A165 Q170 A171 E172 | T164-Q168 WeakPolarHBondContact O-CG 3.42Å; T164-Q168 PolarHBondContact O-N 2.93Å; A165-Q168 PolarHBondContact O-N 3.27Å; Q168-Q170 PolarHBondContact O-N 3.38Å; Q168-A171 PolarHBondContact O-N 2.84Å; Q168-E172 WeakPolarHBondContact O-CB 3.36Å; Q168-E172 PolarHBondContact O-N 3.44Å |
| 169 | Y | 85.9 | Confident | 80.6 | Confident | 148 Ų | 148 | 103.7 Ų | 103.7 | 58% | 0.58 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.3 | -44.3 | 176.1 | -179.5 | -107.1 | 0 | 0 | 0 | 112.4 | A165 Y166 E172 L173 | A165-Y169 WeakPolarHBondContact O-CB 3.39Å; A165-Y169 PolarHBondContact O-N 3.25Å; Y166-Y169 PolarHBondContact O-N 3.43Å; Y169-E172 PolarHBondContact O-N 3.45Å; Y169-L173 HydrophobicContact CD1-CD1 3.67Å; Y169-L173 HydrophobicContact CE1-CD1 3.2Å; Y169-L173 HydrophobicContact CE1-CG 4.28Å; Y169-L173 HydrophobicContact CE2-CD1 4.27Å; Y169-L173 HydrophobicContact CG-CD1 4.39Å; Y169-L173 PolarHBondContact O-N 3.16Å |
| 170 | Q | 86 | Confident | 79.8 | Confident | 103 Ų | 103 | 102.1 Ų | 102.1 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 174.6 | -76.1 | -147.3 | 11.3 | 0 | 0 | 113 | Y166 R167 Q168 E172 L173 A174 | Y166-Q170 HydrophobicContact CD1-CG 4.38Å; Y166-Q170 HydrophobicContact CE1-CG 3.96Å; Y166-Q170 VanDerWaalsContact CZ-NE2 3.31Å; Y166-Q170 PolarHBondContact O-N 3.11Å; Y166-Q170 PolarHBondContact OH-NE2 3.46Å; R167-Q170 PolarHBondContact O-N 2.83Å; Q168-Q170 PolarHBondContact O-N 3.38Å; Q170-E172 VanDerWaalsContact C-N 3.28Å; Q170-E172 PolarHBondContact O-N 2.74Å; Q170-L173 PolarHBondContact O-N 3.48Å; Q170-A174 WeakPolarHBondContact O-CB 3.47Å; Q170-A174 PolarHBondContact O-N 3.25Å |
| 171 | A | 84.8 | Confident | 78.8 | Confident | 40 Ų | 40 | 106.5 Ų | 106.5 | 33% | 0.331 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.2 | -36 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | R167 Q168 R175 | R167-A171 WeakPolarHBondContact O-CB 3.14Å; R167-A171 PolarHBondContact O-N 2.83Å; Q168-A171 PolarHBondContact O-N 2.84Å; A171-R175 WeakPolarHBondContact O-CG 2.94Å; A171-R175 PolarHBondContact O-N 3Å |
| 172 | E | 84.3 | Confident | 77.7 | Confident | 116 Ų | 116 | 105.3 Ų | 105.3 | 54% | 0.542 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71 | -42.6 | 176 | -164.2 | 59.1 | -157.1 | 0 | 0 | 112 | Q168 Y169 Q170 A174 R175 S176 | Q168-E172 WeakPolarHBondContact O-CB 3.36Å; Q168-E172 PolarHBondContact O-N 3.44Å; Y169-E172 PolarHBondContact O-N 3.45Å; Q170-E172 VanDerWaalsContact C-N 3.28Å; Q170-E172 PolarHBondContact O-N 2.74Å; E172-A174 VanDerWaalsContact C-N 3.34Å; E172-A174 PolarHBondContact O-N 2.89Å; E172-R175 PolarHBondContact O-N 3.46Å; E172-S176 WeakPolarHBondContact O-CB 3.41Å; E172-S176 PolarHBondContact O-N 3.28Å |
| 173 | L | 84.8 | Confident | 76.6 | Confident | 80 Ų | 80 | 105.3 Ų | 105.3 | 42% | 0.419 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.2 | -46.3 | 171.5 | -88.8 | 160.7 | 0 | 0 | 0 | 111.8 | Y169 Q170 R175 S176 S177 | Y169-L173 HydrophobicContact CD1-CD1 3.67Å; Y169-L173 HydrophobicContact CE1-CD1 3.2Å; Y169-L173 HydrophobicContact CE1-CG 4.28Å; Y169-L173 HydrophobicContact CE2-CD1 4.27Å; Y169-L173 HydrophobicContact CG-CD1 4.39Å; Y169-L173 PolarHBondContact O-N 3.16Å; Q170-L173 PolarHBondContact O-N 3.48Å; L173-R175 PolarHBondContact O-N 3.45Å; L173-S176 PolarHBondContact O-N 3.26Å; L173-S176 PolarHBondContact O-OG 2.73Å; L173-S177 PolarHBondContact O-N 2.87Å; L173-S177 PolarHBondContact O-OG 3.17Å |
| 174 | A | 81.4 | Confident | 75.3 | Confident | 45 Ų | 45 | 102 Ų | 102 | 37% | 0.372 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.2 | -38.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q170 E172 S177 I178 | Q170-A174 WeakPolarHBondContact O-CB 3.47Å; Q170-A174 PolarHBondContact O-N 3.25Å; E172-A174 VanDerWaalsContact C-N 3.34Å; E172-A174 PolarHBondContact O-N 2.89Å; A174-S177 PolarHBondContact O-N 3.06Å; A174-S177 PolarHBondContact O-OG 2.8Å; A174-I178 WeakPolarHBondContact O-CD1 3.24Å; A174-I178 WeakPolarHBondContact O-CG1 3.48Å; A174-I178 PolarHBondContact O-N 3Å; A174-I178 VanDerWaalsContact O-N 3.12Å |
| 175 | R | 79.5 | Confident | 73.6 | Confident | 162 Ų | 162 | 112.2 Ų | 112.2 | 61% | 0.611 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64 | -42.1 | 172.8 | -76.7 | -176.3 | -177.7 | 97.4 | 3.9 | 111.9 | A171 E172 L173 I178 G179 | A171-R175 WeakPolarHBondContact O-CG 2.94Å; A171-R175 PolarHBondContact O-N 3Å; E172-R175 PolarHBondContact O-N 3.46Å; L173-R175 PolarHBondContact O-N 3.45Å; R175-I178 PolarHBondContact O-N 3.4Å; R175-G179 PolarHBondContact O-N 3.11Å |
| 176 | S | 78.1 | Confident | 73.2 | Confident | 58 Ų | 58 | 115.4 Ų | 115.4 | 41% | 0.406 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.3 | -36.7 | 178.7 | 76.9 | 0 | 0 | 0 | 0 | 112.5 | E172 L173 G179 L180 | E172-S176 WeakPolarHBondContact O-CB 3.41Å; E172-S176 PolarHBondContact O-N 3.28Å; L173-S176 PolarHBondContact O-N 3.26Å; L173-S176 PolarHBondContact O-OG 2.73Å; S176-G179 PolarHBondContact O-N 3.41Å; S176-L180 PolarHBondContact O-N 3.46Å |
| 177 | S | 73.4 | Confident | 72.5 | Confident | 64 Ų | 64 | 114 Ų | 114 | 45% | 0.448 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -72.5 | -37.3 | 178.9 | 67.7 | 0 | 0 | 0 | 0 | 112.5 | L173 A174 G179 L180 Q181 | L173-S177 PolarHBondContact O-N 2.87Å; L173-S177 PolarHBondContact O-OG 3.17Å; A174-S177 PolarHBondContact O-N 3.06Å; A174-S177 PolarHBondContact O-OG 2.8Å; S177-G179 VanDerWaalsContact C-N 3.35Å; S177-L180 PolarHBondContact O-N 3.15Å; S177-Q181 PolarHBondContact O-N 3.42Å |
| 178 | I | 68.4 | Low | 71.8 | Confident | 96 Ų | 96 | 110.2 Ų | 110.2 | 49% | 0.492 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.3 | -39.5 | 172.6 | -63.3 | 163.3 | 0 | 0 | 0 | 110.3 | A174 R175 L180 Q181 N182 | A174-I178 WeakPolarHBondContact O-CD1 3.24Å; A174-I178 WeakPolarHBondContact O-CG1 3.48Å; A174-I178 PolarHBondContact O-N 3Å; A174-I178 VanDerWaalsContact O-N 3.12Å; R175-I178 PolarHBondContact O-N 3.4Å; I178-L180 VanDerWaalsContact C-N 3.34Å; I178-L180 PolarHBondContact O-N 3.43Å; I178-Q181 PolarHBondContact O-N 3.41Å; I178-N182 PolarHBondContact O-N 2.88Å |
| 179 | G | 63.4 | Low | 71 | Confident | 44 Ų | 44 | 108.4 Ų | 108.4 | 45% | 0.454 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.9 | -40 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R175 S176 S177 S183 | R175-G179 PolarHBondContact O-N 3.11Å; S176-G179 PolarHBondContact O-N 3.41Å; S177-G179 VanDerWaalsContact C-N 3.35Å; G179-S183 PolarHBondContact O-N 2.96Å |
| 180 | L | 59.9 | Low | 70.1 | Confident | 125 Ų | 125 | 105.9 Ų | 105.9 | 65% | 0.654 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -72.2 | -37.4 | 176.1 | -77.3 | 164.5 | 0 | 0 | 0 | 112.9 | S176 S177 I178 S183 S184 | S176-L180 PolarHBondContact O-N 3.46Å; S177-L180 PolarHBondContact O-N 3.15Å; I178-L180 VanDerWaalsContact C-N 3.34Å; I178-L180 PolarHBondContact O-N 3.43Å; L180-S183 PolarHBondContact O-N 3.36Å; L180-S184 PolarHBondContact O-N 2.68Å |
| 181 | Q | 58.6 | Low | 69.1 | Low | 145 Ų | 145 | 106.1 Ų | 106.1 | 68% | 0.678 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.4 | -38.6 | 174.8 | -96.3 | -174 | 8.8 | 0 | 0 | 112.6 | S177 I178 S183 S184 R185 | S177-Q181 PolarHBondContact O-N 3.42Å; I178-Q181 PolarHBondContact O-N 3.41Å; Q181-S183 VanDerWaalsContact C-N 3.26Å; Q181-S183 PolarHBondContact O-N 3.4Å; Q181-S184 PolarHBondContact O-N 3Å; Q181-R185 PolarHBondContact O-N 3.42Å |
| 182 | N | 57.9 | Low | 67.9 | Low | 124 Ų | 124 | 110.9 Ų | 110.9 | 66% | 0.663 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -72.7 | -19.1 | 175.6 | -77 | -4.3 | 0 | 0 | 0 | 113.2 | I178 | I178-N182 PolarHBondContact O-N 2.88Å |
| 183 | S | 58.8 | Low | 66.7 | Low | 99 Ų | 99 | 110.5 Ų | 110.5 | 69% | 0.692 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -87.4 | -12.8 | 173.7 | -172.2 | 0 | 0 | 0 | 0 | 113.5 | G179 L180 Q181 | G179-S183 PolarHBondContact O-N 2.96Å; L180-S183 PolarHBondContact O-N 3.36Å; Q181-S183 VanDerWaalsContact C-N 3.26Å; Q181-S183 PolarHBondContact O-N 3.4Å |
| 184 | S | 55.9 | Low | 65.2 | Low | 107 Ų | 107 | 113 Ų | 113 | 75% | 0.748 | 61% | 0.608 | S | S | * | * | trans | -107.3 | -1.5 | -176.1 | -172.9 | 0 | 0 | 0 | 0 | 114.1 | L180 Q181 | L180-S184 PolarHBondContact O-N 2.68Å; Q181-S184 PolarHBondContact O-N 3Å | ||
| 185 | R | 46.8 | Very low | 63.7 | Low | 287 Ų | 287 | 119.2 Ų | 119.2 | 100% | 1.083 | 63% | 0.63 | S | S | * | * | trans | -107.4 | 0 | 170.2 | -90 | -174.9 | 174.8 | 170.2 | -0.7 | 110 | Q181 | Q181-R185 PolarHBondContact O-N 3.42Š|
Retrieved 185 of 185 residues in 517.1 ms
(Link to these results)