| 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 | 37.3 | Very low | 41.2 | Very low | 241 Ų | 241 | 153.4 Ų | 153.4 | 100% | 1.187 | 85% | 0.853 | S | S | * | * | 0 | 94.6 | 0 | -61.4 | 168.1 | -177.5 | 0 | 0 | 104.9 | |||||
| 2 | A | 41.4 | Very low | 41.2 | Very low | 105 Ų | 105 | 150.2 Ų | 150.2 | 87% | 0.868 | 84% | 0.844 | S | S | * | * | 70.2 | 93 | 63.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 3 | D | 41.1 | Very low | 40.8 | Very low | 150 Ų | 150 | 152.8 Ų | 152.8 | 80% | 0.802 | 85% | 0.845 | S | S | * | * | -166.7 | 130.5 | 110 | -162.8 | -7.5 | 0 | 0 | 0 | 110.5 | G5 | D3-G5 PolarHBondContact OD1-N 3.2Š| |||
| 4 | T | 44.2 | Very low | 40.7 | Very low | 135 Ų | 135 | 148.3 Ų | 148.3 | 83% | 0.828 | 84% | 0.837 | S | S | * | * | trans | -157.2 | 77 | 164.4 | 51.6 | 0 | 0 | 0 | 0 | 109.2 | V6 | T4-V6 PolarHBondContact O-N 3.49Š| ||
| 5 | G | 45.7 | Very low | 40.9 | Very low | 73 Ų | 73 | 149.1 Ų | 149.1 | 75% | 0.753 | 84% | 0.838 | S | S | * | * | trans | -62.7 | 127.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D3 | D3-G5 PolarHBondContact OD1-N 3.2Š| ||
| 6 | V | 41.1 | Very low | 41 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | trans | -110.3 | 139.9 | 167.3 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | T4 | T4-V6 PolarHBondContact O-N 3.49Š| ||
| 7 | K | 42.9 | Very low | 41.2 | Very low | 184 Ų | 184 | 146.7 Ų | 146.7 | 80% | 0.8 | 83% | 0.827 | S | S | * | * | trans | -75.4 | 138.3 | -168.7 | -58.5 | 165.7 | -173.5 | 171.2 | 0 | 110.8 | E9 | K7-E9 PolarHBondContact O-N 2.82Š| ||
| 8 | K | 46.5 | Very low | 41.1 | Very low | 213 Ų | 213 | 151.1 Ų | 151.1 | 93% | 0.926 | 83% | 0.83 | S | S | * | * | trans | -74.1 | 104 | 157 | -78.4 | -172.7 | 173.7 | -174.9 | 0 | 108.1 | ||||
| 9 | E | 38.9 | Very low | 40.9 | Very low | 179 Ų | 179 | 150.8 Ų | 150.8 | 84% | 0.836 | 83% | 0.827 | S | S | * | * | trans | -75.7 | 132.5 | 159.2 | -66.9 | -159.7 | 147 | 0 | 0 | 108.9 | K7 A11 | K7-E9 PolarHBondContact O-N 2.82Å; E9-A11 PolarHBondContact O-N 2.7Å | ||
| 10 | H | 38.9 | Very low | 41.2 | Very low | 184 Ų | 184 | 151 Ų | 151 | 85% | 0.852 | 83% | 0.827 | S | S | * | * | trans | -96.8 | 92.4 | -179 | -150.8 | -43.3 | 0 | 0 | 0 | 107.5 | ||||
| 11 | A | 35.1 | Very low | 41.3 | Very low | 81 Ų | 81 | 151.2 Ų | 151.2 | 67% | 0.669 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 128 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | E9 | E9-A11 PolarHBondContact O-N 2.7Š|
| 12 | P | 41.8 | Very low | 41.6 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 146.4 | 168.5 | 30.5 | -32.8 | 0 | 0 | 0 | 109.1 | A14 | P12-A14 PolarHBondContact O-N 2.71Š|
| 13 | H | 36 | Very low | 41.6 | Very low | 185 Ų | 185 | 149.9 Ų | 149.9 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 124.7 | 164 | -74.9 | -93.6 | 0 | 0 | 0 | 108 | ||
| 14 | A | 39.3 | Very low | 41.7 | Very low | 89 Ų | 89 | 146.5 Ų | 146.5 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76 | 124.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | P12 I16 | P12-A14 PolarHBondContact O-N 2.71Å; A14-I16 PolarHBondContact O-N 3.17Å |
| 15 | D | 43.9 | Very low | 41.4 | Very low | 160 Ų | 160 | 148 Ų | 148 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | -63.7 | 115.4 | 176 | -60.8 | -68.9 | 0 | 0 | 0 | 109.7 | P17 | D15-P17 WeakPolarHBondContact O-CD 3.28Š| ||
| 16 | I | 41.9 | Very low | 41 | Very low | 147 Ų | 147 | 151 Ų | 151 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | trans | -79.7 | 117.9 | 167.9 | -58.5 | 175.2 | 0 | 0 | 0 | 106.2 | A14 Y18 | A14-I16 PolarHBondContact O-N 3.17Å; I16-Y18 PolarHBondContact O-N 3.3Å | ||
| 17 | P | 43.6 | Very low | 40.9 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | trans | -63.6 | 129.4 | 174.3 | 27.1 | -32.9 | 0 | 0 | 0 | 109.1 | D15 D19 | D15-P17 WeakPolarHBondContact O-CD 3.28Å; P17-D19 PolarHBondContact O-N 3.05Å | ||
| 18 | Y | 40.5 | Very low | 40.7 | Very low | 226 Ų | 226 | 143 Ų | 143 | 89% | 0.886 | 79% | 0.792 | S | S | * | * | trans | -70.2 | 109.8 | 165.8 | -89.2 | -105.3 | 0 | 0 | 0 | 107.7 | I16 D20 | I16-Y18 PolarHBondContact O-N 3.3Å; Y18-D20 PolarHBondContact O-N 3.27Å | ||
| 19 | D | 36.5 | Very low | 40.6 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | -82.9 | 90.5 | 175.9 | -146.5 | 10.1 | 0 | 0 | 0 | 108.1 | P17 E21 | P17-D19 PolarHBondContact O-N 3.05Å; D19-E21 PolarHBondContact O-N 3.17Å | ||
| 20 | D | 46.3 | Very low | 40.8 | Very low | 153 Ų | 153 | 135 Ų | 135 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -82.6 | 61.9 | -173.7 | -146.7 | 13.5 | 0 | 0 | 0 | 109.6 | Y18 E22 | Y18-D20 PolarHBondContact O-N 3.27Å; D20-E22 PolarHBondContact O-N 3.13Å | ||
| 21 | E | 44.8 | Very low | 41.1 | Very low | 157 Ų | 157 | 135 Ų | 135 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -63.3 | 94.5 | 178.2 | -86.5 | -94.9 | 132.4 | 0 | 0 | 110.2 | D19 V23 | D19-E21 PolarHBondContact O-N 3.17Å; E21-V23 PolarHBondContact O-N 3.36Å; E21-V23 VanDerWaalsContact O-N 3.12Å | ||
| 22 | E | 44.1 | Very low | 41.4 | Very low | 180 Ų | 180 | 136.7 Ų | 136.7 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | trans | -31 | 110.7 | 168.9 | -77.8 | -92 | 161.9 | 0 | 0 | 112.1 | D20 A24 | D20-E22 PolarHBondContact O-N 3.13Å; E22-A24 PolarHBondContact O-N 3.26Å | ||
| 23 | V | 41.3 | Very low | 41.2 | Very low | 137 Ų | 137 | 135.3 Ų | 135.3 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | trans | -71 | 83.3 | 175.3 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | E21 L25 | E21-V23 PolarHBondContact O-N 3.36Å; E21-V23 VanDerWaalsContact O-N 3.12Å; V23-L25 PolarHBondContact O-N 2.93Å | ||
| 24 | A | 42.1 | Very low | 41.6 | Very low | 80 Ų | 80 | 132.3 Ų | 132.3 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | trans | -55.9 | 103.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | E22 V26 | E22-A24 PolarHBondContact O-N 3.26Å; A24-V26 PolarHBondContact O-N 3.47Å | ||
| 25 | L | 37.6 | Very low | 41.6 | Very low | 167 Ų | 167 | 134.9 Ų | 134.9 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -62 | 100.4 | 173.9 | -79.2 | 166.8 | 0 | 0 | 0 | 108.6 | V23 G27 | V23-L25 PolarHBondContact O-N 2.93Å; L25-G27 VanDerWaalsContact C-N 3.3Å; L25-G27 PolarHBondContact O-N 3.13Å | ||
| 26 | V | 38.2 | Very low | 41.8 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -63.2 | 93.7 | 176 | -179.4 | 0 | 0 | 0 | 0 | 108.5 | A24 A28 | A24-V26 PolarHBondContact O-N 3.47Å; V26-A28 PolarHBondContact O-N 3.49Å | ||
| 27 | G | 38.7 | Very low | 41.9 | Very low | 68 Ų | 68 | 134.8 Ų | 134.8 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -63.7 | 96.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | L25 A29 | L25-G27 VanDerWaalsContact C-N 3.3Å; L25-G27 PolarHBondContact O-N 3.13Å; G27-A29 PolarHBondContact O-N 3.11Å | ||
| 28 | A | 37.7 | Very low | 42 | Very low | 89 Ų | 89 | 136 Ų | 136 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -64.3 | 98.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | V26 T30 | V26-A28 PolarHBondContact O-N 3.49Å; A28-T30 VanDerWaalsContact C-N 3.32Å; A28-T30 PolarHBondContact O-N 2.82Å | ||
| 29 | A | 45.1 | Very low | 42.3 | Very low | 100 Ų | 100 | 131 Ų | 131 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | -71.2 | 86.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | G27 | G27-A29 PolarHBondContact O-N 3.11Š| ||
| 30 | T | 42.8 | Very low | 42.6 | Very low | 126 Ų | 126 | 127.7 Ų | 127.7 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -98.5 | 104.7 | 158.5 | -55.2 | 0 | 0 | 0 | 0 | 107 | A28 P32 | A28-T30 VanDerWaalsContact C-N 3.32Å; A28-T30 PolarHBondContact O-N 2.82Å; T30-P32 WeakPolarHBondContact O-CD 3.32Å | ||
| 31 | E | 45.9 | Very low | 42.9 | Very low | 184 Ų | 184 | 129.1 Ų | 129.1 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 123.4 | 177.3 | -62.1 | 176.9 | 144.6 | 0 | 0 | 110.1 | ||
| 32 | P | 41.2 | Very low | 43.1 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 142.1 | 156.6 | 31.9 | -31.2 | 0 | 0 | 0 | 108.1 | T30 | T30-P32 WeakPolarHBondContact O-CD 3.32Š|
| 33 | A | 37.3 | Very low | 43.1 | Very low | 87 Ų | 87 | 127.8 Ų | 127.8 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 145.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D35 | A33-D35 PolarHBondContact O-N 3.4Š|
| 34 | V | 44 | Very low | 43.5 | Very low | 122 Ų | 122 | 128 Ų | 128 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | trans | -81.7 | 102.7 | 167.9 | -175 | 0 | 0 | 0 | 0 | 107 | ||||
| 35 | D | 41 | Very low | 43.6 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | trans | -81.6 | 110.3 | 164 | -75.9 | -47.3 | 0 | 0 | 0 | 107.9 | A33 D37 | A33-D35 PolarHBondContact O-N 3.4Å; D35-D37 VanDerWaalsContact C-N 3.31Å; D35-D37 PolarHBondContact O-N 3.42Å | ||
| 36 | D | 47.8 | Very low | 44.1 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -75.3 | 73.5 | 179.5 | -73.7 | -55.1 | 0 | 0 | 0 | 111.7 | D38 | D36-D38 PolarHBondContact O-N 3.15Š| ||
| 37 | D | 43.4 | Very low | 44.4 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | -85.9 | 92.2 | 166.3 | -95.9 | -38.3 | 0 | 0 | 0 | 110.5 | D35 P39 | D35-D37 VanDerWaalsContact C-N 3.31Å; D35-D37 PolarHBondContact O-N 3.42Å; D37-P39 WeakPolarHBondContact O-CD 3.44Å | ||
| 38 | D | 45.3 | Very low | 44.4 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -71.2 | 115.2 | 176.2 | 179.4 | 25.6 | 0 | 0 | 0 | 111.7 | D36 A40 | D36-D38 PolarHBondContact O-N 3.15Å; D38-A40 PolarHBondContact O-N 3.34Å | ||
| 39 | P | 46.8 | Very low | 44.9 | Very low | 121 Ų | 121 | 134 Ų | 134 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | -78.8 | 74.2 | 177.8 | 34 | -34.6 | 0 | 0 | 0 | 110.7 | D37 | D37-P39 WeakPolarHBondContact O-CD 3.44Š| ||
| 40 | A | 44.2 | Very low | 44.9 | Very low | 77 Ų | 77 | 132.2 Ų | 132.2 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | trans | -53.3 | 146.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D38 E42 | D38-A40 PolarHBondContact O-N 3.34Å; A40-E42 PolarHBondContact O-N 2.94Å | ||
| 41 | E | 51.8 | Low | 45.5 | Very low | 182 Ų | 182 | 129.7 Ų | 129.7 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | -48 | 113 | -164 | -57.8 | -177.5 | 147.6 | 0 | 0 | 115.1 | V43 | E41-V43 PolarHBondContact O-N 3.46Š| ||
| 42 | E | 48.9 | Very low | 46.2 | Very low | 203 Ų | 203 | 129.5 Ų | 129.5 | 95% | 0.949 | 76% | 0.762 | S | S | * | * | trans | -69.4 | 103.5 | 157.9 | -83.8 | -138.8 | 132.2 | 0 | 0 | 109.2 | A40 | A40-E42 PolarHBondContact O-N 2.94Š| ||
| 43 | V | 44.9 | Very low | 48 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 65% | 0.648 | 75% | 0.747 | S | S | * | * | trans | -54.6 | 137.6 | 176.5 | -76.6 | 0 | 0 | 0 | 0 | 113.1 | E41 L45 | E41-V43 PolarHBondContact O-N 3.46Å; V43-L45 HydrophobicContact CG2-CG 4.31Å; V43-L45 PolarHBondContact O-N 2.81Å | ||
| 44 | D | 48.2 | Very low | 50.1 | Low | 140 Ų | 140 | 130 Ų | 130 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | trans | -63.2 | 89.3 | 175.3 | 178.7 | 28.8 | 0 | 0 | 0 | 112 | V46 | D44-V46 PolarHBondContact O-N 3.03Å; D44-V46 WeakPolarHBondContact OD1-CG2 3.34Å; D44-V46 WeakPolarHBondContact OD2-CG2 3.38Å | ||
| 45 | L | 44.8 | Very low | 52 | Low | 139 Ų | 139 | 127.6 Ų | 127.6 | 73% | 0.728 | 74% | 0.74 | S | S | * | * | trans | -91.9 | 81.7 | 170.6 | -70.2 | -179.1 | 0 | 0 | 0 | 110.2 | V43 L47 | V43-L45 HydrophobicContact CG2-CG 4.31Å; V43-L45 PolarHBondContact O-N 2.81Å; L45-L47 PolarHBondContact O-N 3.4Å | ||
| 46 | V | 49.3 | Very low | 54.3 | Low | 117 Ų | 117 | 126 Ų | 126 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | trans | -56.2 | 94.2 | 171.4 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | D44 | D44-V46 PolarHBondContact O-N 3.03Å; D44-V46 WeakPolarHBondContact OD1-CG2 3.34Å; D44-V46 WeakPolarHBondContact OD2-CG2 3.38Å | ||
| 47 | L | 43.8 | Very low | 56.1 | Low | 161 Ų | 161 | 124.6 Ų | 124.6 | 84% | 0.843 | 72% | 0.718 | S | S | * | * | trans | -106.1 | 110.7 | 169 | -69.5 | -178.5 | 0 | 0 | 0 | 110 | L45 | L45-L47 PolarHBondContact O-N 3.4Š| ||
| 48 | D | 37.5 | Very low | 58.3 | Low | 155 Ų | 155 | 120.1 Ų | 120.1 | 83% | 0.829 | 69% | 0.694 | S | S | * | * | trans | -7.8 | 126.9 | 176 | -167.6 | 20 | 0 | 0 | 0 | 117.9 | G50 | D48-G50 PolarHBondContact O-N 3.26Š| ||
| 49 | A | 48.2 | Very low | 60.7 | Low | 95 Ų | 95 | 115 Ų | 115 | 79% | 0.785 | 67% | 0.673 | S | S | * | * | trans | -79 | 60.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G51 | A49-G51 PolarHBondContact O-N 3.08Š| ||
| 50 | G | 46.6 | Very low | 62.8 | Low | 62 Ų | 62 | 114 Ų | 114 | 64% | 0.639 | 66% | 0.664 | S | S | * | * | trans | -58.6 | 98.9 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | D48 K52 | D48-G50 PolarHBondContact O-N 3.26Å; G50-K52 PolarHBondContact O-N 3.12Å | ||
| 51 | G | 55.4 | Low | 65.2 | Low | 73 Ų | 73 | 115.4 Ų | 115.4 | 75% | 0.753 | 66% | 0.659 | S | S | * | * | trans | -51.4 | 106.3 | -164.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A49 S53 | A49-G51 PolarHBondContact O-N 3.08Å; G51-S53 PolarHBondContact O-N 2.84Å | ||
| 52 | K | 59.4 | Low | 67.3 | Low | 179 Ų | 179 | 111.6 Ų | 111.6 | 78% | 0.778 | 64% | 0.644 | S | S | * | * | trans | -55.3 | 121.9 | 177.3 | -68.2 | 177.9 | -176.9 | 172.9 | 0 | 108.5 | G50 Q56 | G50-K52 PolarHBondContact O-N 3.12Å; K52-Q56 VanDerWaalsContact CA-OE1 3.3Å; K52-Q56 HydrophobicContact CB-CB 4.47Å | ||
| 53 | S | 78.9 | Confident | 69.5 | Low | 61 Ų | 61 | 107.4 Ų | 107.4 | 43% | 0.427 | 63% | 0.627 | S | S | . | * | trans | -64.9 | 152.6 | -179 | 65.6 | 0 | 0 | 0 | 0 | 110.1 | G51 A55 Q56 M57 | G51-S53 PolarHBondContact O-N 2.84Å; S53-A55 PolarHBondContact O-N 2.92Å; S53-A55 VanDerWaalsContact O-N 3.08Å; S53-Q56 WeakPolarHBondContact O-CA 3.3Å; S53-Q56 WeakPolarHBondContact O-CB 3.34Å; S53-Q56 PolarHBondContact O-N 3.05Å; S53-M57 PolarHBondContact O-N 3.05Å | ||
| 54 | E | 82.5 | Confident | 71.9 | Confident | 151 Ų | 151 | 106 Ų | 106 | 71% | 0.706 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -52.7 | -35.9 | 178.7 | -164.5 | -171 | 146.6 | 0 | 0 | 111.6 | Q56 M57 N58 | E54-Q56 PolarHBondContact O-N 3.3Å; E54-M57 PolarHBondContact O-N 3.44Å; E54-N58 WeakPolarHBondContact O-CB 3.31Å; E54-N58 PolarHBondContact O-N 2.92Å; E54-N58 PolarHBondContact O-ND2 3Å |
| 55 | A | 84.3 | Confident | 74.3 | Confident | 73 Ų | 73 | 104.1 Ų | 104.1 | 60% | 0.603 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61.5 | -34.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S53 G59 | S53-A55 PolarHBondContact O-N 2.92Å; S53-A55 VanDerWaalsContact O-N 3.08Å; A55-G59 PolarHBondContact O-N 3.41Å |
| 56 | Q | 87.4 | Confident | 76.8 | Confident | 110 Ų | 110 | 101.8 Ų | 101.8 | 51% | 0.514 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -71.5 | -41.4 | 173.8 | -73.4 | 176.2 | -38.7 | 0 | 0 | 111.6 | K52 S53 E54 G59 V60 | K52-Q56 VanDerWaalsContact CA-OE1 3.3Å; K52-Q56 HydrophobicContact CB-CB 4.47Å; S53-Q56 WeakPolarHBondContact O-CA 3.3Å; S53-Q56 WeakPolarHBondContact O-CB 3.34Å; S53-Q56 PolarHBondContact O-N 3.05Å; E54-Q56 PolarHBondContact O-N 3.3Å; Q56-G59 PolarHBondContact O-N 3.04Å; Q56-V60 WeakPolarHBondContact O-CG2 3.42Å; Q56-V60 PolarHBondContact O-N 3.31Å |
| 57 | M | 86.3 | Confident | 79.1 | Confident | 118 Ų | 118 | 101.6 Ų | 101.6 | 58% | 0.581 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.7 | -44.6 | 176.5 | -165.8 | 179.4 | 83.8 | 0 | 0 | 111.3 | S53 E54 G59 V60 M61 | S53-M57 PolarHBondContact O-N 3.05Å; E54-M57 PolarHBondContact O-N 3.44Å; M57-G59 VanDerWaalsContact C-N 3.32Å; M57-G59 PolarHBondContact O-N 3.48Å; M57-V60 PolarHBondContact O-N 3.31Å; M57-M61 PolarHBondContact O-N 3.01Å |
| 58 | N | 90.4 | Very high | 81.6 | Confident | 62 Ų | 62 | 101.4 Ų | 101.4 | 33% | 0.332 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.4 | -37.4 | 174.7 | -67.4 | -17.6 | 0 | 0 | 0 | 111.5 | E54 M61 I62 | E54-N58 WeakPolarHBondContact O-CB 3.31Å; E54-N58 PolarHBondContact O-N 2.92Å; E54-N58 PolarHBondContact O-ND2 3Å; N58-M61 PolarHBondContact O-N 3.36Å; N58-I62 WeakPolarHBondContact O-CB 3.36Å; N58-I62 WeakPolarHBondContact O-CD1 3.4Å; N58-I62 VanDerWaalsContact O-CG1 3.23Å; N58-I62 WeakPolarHBondContact O-CG1 3.39Å; N58-I62 PolarHBondContact O-N 2.97Å |
| 59 | G | 94.6 | Very high | 84.5 | Confident | 28 Ų | 28 | 98.8 Ų | 98.8 | 29% | 0.289 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.6 | -45.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A55 Q56 M57 I62 L63 | A55-G59 PolarHBondContact O-N 3.41Å; Q56-G59 PolarHBondContact O-N 3.04Å; M57-G59 VanDerWaalsContact C-N 3.32Å; M57-G59 PolarHBondContact O-N 3.48Å; G59-I62 PolarHBondContact O-N 3.44Å; G59-L63 WeakPolarHBondContact O-CG 3.41Å; G59-L63 PolarHBondContact O-N 2.82Å |
| 60 | V | 91.9 | Very high | 86.8 | Confident | 100 Ų | 100 | 98.8 Ų | 98.8 | 61% | 0.606 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.4 | -41.5 | 175.3 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | Q56 M57 L63 S64 | Q56-V60 WeakPolarHBondContact O-CG2 3.42Å; Q56-V60 PolarHBondContact O-N 3.31Å; M57-V60 PolarHBondContact O-N 3.31Å; V60-L63 PolarHBondContact O-N 3.15Å; V60-S64 PolarHBondContact O-N 2.66Å |
| 61 | M | 93.2 | Very high | 89.3 | Confident | 107 Ų | 107 | 97.3 Ų | 97.3 | 53% | 0.527 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 175.3 | -171.1 | -175.3 | -63.9 | 0 | 0 | 111.7 | M57 N58 L63 S64 L65 | M57-M61 PolarHBondContact O-N 3.01Å; N58-M61 PolarHBondContact O-N 3.36Å; M61-L63 VanDerWaalsContact C-N 3.34Å; M61-L63 PolarHBondContact O-N 3Å; M61-S64 PolarHBondContact O-N 3.41Å; M61-L65 HydrophobicContact CG-CD1 4.06Å; M61-L65 WeakPolarHBondContact O-CD1 3.43Å; M61-L65 PolarHBondContact O-N 2.7Å |
| 62 | I | 96.3 | Very high | 91.3 | Very high | 102 Ų | 102 | 97.5 Ų | 97.5 | 52% | 0.523 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 176.8 | -71.1 | 163.1 | 0 | 0 | 0 | 111.1 | N58 G59 L65 L66 | N58-I62 WeakPolarHBondContact O-CB 3.36Å; N58-I62 WeakPolarHBondContact O-CD1 3.4Å; N58-I62 VanDerWaalsContact O-CG1 3.23Å; N58-I62 WeakPolarHBondContact O-CG1 3.39Å; N58-I62 PolarHBondContact O-N 2.97Å; G59-I62 PolarHBondContact O-N 3.44Å; I62-L65 PolarHBondContact O-N 3.31Å; I62-L66 HydrophobicContact CG2-CD1 3.93Å; I62-L66 HydrophobicContact CG2-CG 4.35Å; I62-L66 WeakPolarHBondContact O-CG 3.34Å; I62-L66 PolarHBondContact O-N 2.82Å |
| 63 | L | 95.6 | Very high | 93.2 | Very high | 115 Ų | 115 | 92.4 Ų | 92.4 | 60% | 0.602 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -42.3 | 175.9 | -72.6 | 165 | 0 | 0 | 0 | 112 | G59 V60 M61 L65 L66 D67 | G59-L63 WeakPolarHBondContact O-CG 3.41Å; G59-L63 PolarHBondContact O-N 2.82Å; V60-L63 PolarHBondContact O-N 3.15Å; M61-L63 VanDerWaalsContact C-N 3.34Å; M61-L63 PolarHBondContact O-N 3Å; L63-L65 VanDerWaalsContact C-N 3.35Å; L63-L65 PolarHBondContact O-N 3.31Å; L63-L66 PolarHBondContact O-N 3Å; L63-D67 WeakPolarHBondContact O-CB 3.45Å; L63-D67 PolarHBondContact O-N 3.2Å |
| 64 | S | 96.1 | Very high | 94.1 | Very high | 77 Ų | 77 | 93.6 Ų | 93.6 | 54% | 0.538 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.9 | -36.8 | 174.7 | -179 | 0 | 0 | 0 | 0 | 112.8 | V60 M61 K68 | V60-S64 PolarHBondContact O-N 2.66Å; M61-S64 PolarHBondContact O-N 3.41Å; S64-K68 WeakPolarHBondContact O-CB 3.31Å; S64-K68 PolarHBondContact O-N 3.38Å; S64-K68 VanDerWaalsContact O-N 3.08Å |
| 65 | L | 97.7 | Very high | 94.8 | Very high | 102 Ų | 102 | 93.1 Ų | 93.1 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.7 | -39.4 | 172.3 | -91.6 | 77.4 | 0 | 0 | 0 | 112.2 | M61 I62 L63 K68 I69 | M61-L65 HydrophobicContact CG-CD1 4.06Å; M61-L65 WeakPolarHBondContact O-CD1 3.43Å; M61-L65 PolarHBondContact O-N 2.7Å; I62-L65 PolarHBondContact O-N 3.31Å; L63-L65 VanDerWaalsContact C-N 3.35Å; L63-L65 PolarHBondContact O-N 3.31Å; L65-K68 PolarHBondContact O-N 3.29Å; L65-I69 WeakPolarHBondContact O-CB 3.41Å; L65-I69 WeakPolarHBondContact O-CD1 3.33Å; L65-I69 VanDerWaalsContact O-CG1 3.23Å; L65-I69 WeakPolarHBondContact O-CG1 3.48Å; L65-I69 PolarHBondContact O-N 2.74Å |
| 66 | L | 97.7 | Very high | 95.5 | Very high | 89 Ų | 89 | 94.4 Ų | 94.4 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 177.8 | -74.3 | 170 | 0 | 0 | 0 | 111.9 | I62 L63 I69 I70 | I62-L66 HydrophobicContact CG2-CD1 3.93Å; I62-L66 HydrophobicContact CG2-CG 4.35Å; I62-L66 WeakPolarHBondContact O-CG 3.34Å; I62-L66 PolarHBondContact O-N 2.82Å; L63-L66 PolarHBondContact O-N 3Å; L66-I69 WeakPolarHBondContact O-CB 3.4Å; L66-I69 PolarHBondContact O-N 2.97Å; L66-I69 VanDerWaalsContact O-N 3.13Å; L66-I70 WeakPolarHBondContact O-CG1 3.33Å; L66-I70 PolarHBondContact O-N 3.35Å |
| 67 | D | 97.1 | Very high | 96 | Very high | 114 Ų | 114 | 94.4 Ų | 94.4 | 61% | 0.61 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60 | -45.6 | 174.1 | -175.5 | 69.5 | 0 | 0 | 0 | 111.6 | L63 I69 I70 G71 | L63-D67 WeakPolarHBondContact O-CB 3.45Å; L63-D67 PolarHBondContact O-N 3.2Å; D67-I69 VanDerWaalsContact C-N 3.26Å; D67-I69 PolarHBondContact O-N 2.99Å; D67-I70 WeakPolarHBondContact O-CB 3.35Å; D67-I70 PolarHBondContact O-N 2.85Å; D67-I70 VanDerWaalsContact O-N 3.11Å; D67-G71 PolarHBondContact O-N 2.9Å |
| 68 | K | 97.4 | Very high | 96.6 | Very high | 157 Ų | 157 | 95.7 Ų | 95.7 | 68% | 0.683 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.9 | -28.8 | 174 | -166.9 | 168.4 | -173.4 | 170.3 | 0 | 113.4 | S64 L65 V72 | S64-K68 WeakPolarHBondContact O-CB 3.31Å; S64-K68 PolarHBondContact O-N 3.38Å; S64-K68 VanDerWaalsContact O-N 3.08Å; L65-K68 PolarHBondContact O-N 3.29Å; K68-V72 VanDerWaalsContact O-CG2 3.3Å; K68-V72 WeakPolarHBondContact O-CG2 3.35Å; K68-V72 PolarHBondContact O-N 3.47Å |
| 69 | I | 97.9 | Very high | 96.9 | Very high | 99 Ų | 99 | 96.7 Ų | 96.7 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.7 | -42.6 | 171.8 | -73.6 | 162.8 | 0 | 0 | 0 | 110.6 | L65 L66 D67 V72 V73 | L65-I69 WeakPolarHBondContact O-CB 3.41Å; L65-I69 WeakPolarHBondContact O-CD1 3.33Å; L65-I69 VanDerWaalsContact O-CG1 3.23Å; L65-I69 WeakPolarHBondContact O-CG1 3.48Å; L65-I69 PolarHBondContact O-N 2.74Å; L66-I69 WeakPolarHBondContact O-CB 3.4Å; L66-I69 PolarHBondContact O-N 2.97Å; L66-I69 VanDerWaalsContact O-N 3.13Å; D67-I69 VanDerWaalsContact C-N 3.26Å; D67-I69 PolarHBondContact O-N 2.99Å; I69-V72 PolarHBondContact O-N 3.08Å; I69-V72 VanDerWaalsContact O-N 3.13Å; I69-V73 HydrophobicContact CG2-CG2 4.29Å; I69-V73 WeakPolarHBondContact O-CG2 3.43Å; I69-V73 PolarHBondContact O-N 3.36Å |
| 70 | I | 97 | Very high | 97.1 | Very high | 96 Ų | 96 | 100 Ų | 100 | 49% | 0.492 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.6 | -52.7 | 175.1 | -68.4 | 163.2 | 0 | 0 | 0 | 109.7 | L66 D67 V72 V73 D74 | L66-I70 WeakPolarHBondContact O-CG1 3.33Å; L66-I70 PolarHBondContact O-N 3.35Å; D67-I70 WeakPolarHBondContact O-CB 3.35Å; D67-I70 PolarHBondContact O-N 2.85Å; D67-I70 VanDerWaalsContact O-N 3.11Å; I70-V72 PolarHBondContact O-N 3.12Å; I70-V73 CarbonylContact O-C 3.54Å; I70-V73 WeakPolarHBondContact O-CA 3.34Å; I70-V73 PolarHBondContact O-N 3.47Å; I70-D74 PolarHBondContact O-N 2.89Å |
| 71 | G | 98.1 | Very high | 97.3 | Very high | 31 Ų | 31 | 99.7 Ų | 99.7 | 32% | 0.32 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64 | -13.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | D67 K75 | D67-G71 PolarHBondContact O-N 2.9Å; G71-K75 WeakPolarHBondContact O-CD 3.4Å; G71-K75 VanDerWaalsContact O-CG 3.28Å; G71-K75 WeakPolarHBondContact O-CG 3.37Å |
| 72 | V | 98.1 | Very high | 97.6 | Very high | 77 Ų | 77 | 96.2 Ų | 96.2 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -88.4 | -40.6 | 168.4 | 166.4 | 0 | 0 | 0 | 0 | 111.2 | K68 I69 I70 K75 I76 | K68-V72 VanDerWaalsContact O-CG2 3.3Å; K68-V72 WeakPolarHBondContact O-CG2 3.35Å; K68-V72 PolarHBondContact O-N 3.47Å; I69-V72 PolarHBondContact O-N 3.08Å; I69-V72 VanDerWaalsContact O-N 3.13Å; I70-V72 PolarHBondContact O-N 3.12Å; V72-K75 PolarHBondContact O-N 3.14Å; V72-I76 HydrophobicContact CG1-CD1 3.88Å; V72-I76 VanDerWaalsContact O-CG1 3.31Å; V72-I76 WeakPolarHBondContact O-CG1 3.31Å; V72-I76 PolarHBondContact O-N 3.22Å |
| 73 | V | 98.4 | Very high | 97.6 | Very high | 71 Ų | 71 | 96.1 Ų | 96.1 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 174.4 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | I69 I70 K75 I76 Q77 | I69-V73 HydrophobicContact CG2-CG2 4.29Å; I69-V73 WeakPolarHBondContact O-CG2 3.43Å; I69-V73 PolarHBondContact O-N 3.36Å; I70-V73 CarbonylContact O-C 3.54Å; I70-V73 WeakPolarHBondContact O-CA 3.34Å; I70-V73 PolarHBondContact O-N 3.47Å; V73-K75 VanDerWaalsContact C-N 3.34Å; V73-K75 PolarHBondContact O-N 3.28Å; V73-I76 WeakPolarHBondContact O-CB 3.25Å; V73-I76 PolarHBondContact O-N 2.93Å; V73-Q77 WeakPolarHBondContact O-CB 3.24Å; V73-Q77 PolarHBondContact O-N 2.82Å |
| 74 | D | 98.3 | Very high | 97.7 | Very high | 87 Ų | 87 | 95.6 Ų | 95.6 | 47% | 0.465 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 177.3 | -65.9 | -25.6 | 0 | 0 | 0 | 111.5 | I70 Q77 Q78 | I70-D74 PolarHBondContact O-N 2.89Å; D74-Q77 PolarHBondContact O-N 3.39Å; D74-Q78 WeakPolarHBondContact O-CB 3.5Å; D74-Q78 PolarHBondContact O-N 3.44Å |
| 75 | K | 98.1 | Very high | 97.8 | Very high | 141 Ų | 141 | 94.8 Ų | 94.8 | 61% | 0.613 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.2 | -40.5 | 174.9 | -72.7 | 175 | -174.2 | -179.3 | 0 | 112.2 | G71 V72 V73 Q77 T79 | G71-K75 WeakPolarHBondContact O-CD 3.4Å; G71-K75 VanDerWaalsContact O-CG 3.28Å; G71-K75 WeakPolarHBondContact O-CG 3.37Å; V72-K75 PolarHBondContact O-N 3.14Å; V73-K75 VanDerWaalsContact C-N 3.34Å; V73-K75 PolarHBondContact O-N 3.28Å; K75-Q77 VanDerWaalsContact C-N 3.35Å; K75-T79 VanDerWaalsContact O-CB 3.28Å; K75-T79 WeakPolarHBondContact O-CB 3.5Å; K75-T79 PolarHBondContact O-N 2.92Å; K75-T79 PolarHBondContact O-OG1 3.13Å |
| 76 | I | 98.1 | Very high | 97.8 | Very high | 100 Ų | 100 | 98.7 Ų | 98.7 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 173.6 | -70.5 | 165 | 0 | 0 | 0 | 110.1 | V72 V73 T79 Q80 | V72-I76 HydrophobicContact CG1-CD1 3.88Å; V72-I76 VanDerWaalsContact O-CG1 3.31Å; V72-I76 WeakPolarHBondContact O-CG1 3.31Å; V72-I76 PolarHBondContact O-N 3.22Å; V73-I76 WeakPolarHBondContact O-CB 3.25Å; V73-I76 PolarHBondContact O-N 2.93Å; I76-T79 PolarHBondContact O-N 3.07Å; I76-Q80 WeakPolarHBondContact O-CB 3.42Å; I76-Q80 PolarHBondContact O-N 3.17Å |
| 77 | Q | 98 | Very high | 97.8 | Very high | 109 Ų | 109 | 99.8 Ų | 99.8 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.8 | -38.8 | -176.3 | -165.4 | 155.2 | 76.7 | 0 | 0 | 112.2 | V73 D74 K75 Q80 N81 | V73-Q77 WeakPolarHBondContact O-CB 3.24Å; V73-Q77 PolarHBondContact O-N 2.82Å; D74-Q77 PolarHBondContact O-N 3.39Å; K75-Q77 VanDerWaalsContact C-N 3.35Å; Q77-Q80 PolarHBondContact O-N 3.25Å; Q77-N81 WeakPolarHBondContact O-CB 3.48Å; Q77-N81 PolarHBondContact O-N 3.37Å; Q77-N81 PolarHBondContact O-ND2 3.38Å; Q77-N81 PolarHBondContact O-OD1 3.18Å |
| 78 | Q | 97.7 | Very high | 97.8 | Very high | 145 Ų | 145 | 99.6 Ų | 99.6 | 68% | 0.678 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61 | -44.3 | 169 | -172 | -175.2 | 24.4 | 0 | 0 | 111.5 | D74 G82 | D74-Q78 WeakPolarHBondContact O-CB 3.5Å; D74-Q78 PolarHBondContact O-N 3.44Å; Q78-G82 PolarHBondContact O-N 2.87Å; Q78-G82 VanDerWaalsContact O-N 3.07Å |
| 79 | T | 97.7 | Very high | 97.9 | Very high | 84 Ų | 84 | 94.5 Ų | 94.5 | 52% | 0.515 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 177.7 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | K75 I76 G82 L83 | K75-T79 VanDerWaalsContact O-CB 3.28Å; K75-T79 WeakPolarHBondContact O-CB 3.5Å; K75-T79 PolarHBondContact O-N 2.92Å; K75-T79 PolarHBondContact O-OG1 3.13Å; I76-T79 PolarHBondContact O-N 3.07Å; T79-G82 PolarHBondContact O-N 3.26Å; T79-L83 HydrophobicContact CG2-CD1 4.11Å; T79-L83 HydrophobicContact CG2-CG 4.49Å; T79-L83 WeakPolarHBondContact O-CG 3.45Å; T79-L83 PolarHBondContact O-N 3.35Å |
| 80 | Q | 98 | Very high | 97.9 | Very high | 96 Ų | 96 | 95.8 Ų | 95.8 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.5 | -49.8 | 177 | -179.9 | 176.5 | -17.3 | 0 | 0 | 111.2 | I76 Q77 G82 L83 E84 | I76-Q80 WeakPolarHBondContact O-CB 3.42Å; I76-Q80 PolarHBondContact O-N 3.17Å; Q77-Q80 PolarHBondContact O-N 3.25Å; Q80-G82 PolarHBondContact O-N 3.2Å; Q80-L83 PolarHBondContact O-N 3.39Å; Q80-E84 HydrophobicContact CG-CG 4.36Å; Q80-E84 VanDerWaalsContact CG-OE1 3.31Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.29Å; Q80-E84 PolarHBondContact NE2-OE1 3.19Å; Q80-E84 WeakPolarHBondContact O-CG 3.47Å; Q80-E84 PolarHBondContact O-N 2.85Å |
| 81 | N | 97.5 | Very high | 97.9 | Very high | 95 Ų | 95 | 96.6 Ų | 96.6 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.4 | -39.3 | 176.6 | -67.5 | -14.6 | 0 | 0 | 0 | 111.7 | Q77 A85 | Q77-N81 WeakPolarHBondContact O-CB 3.48Å; Q77-N81 PolarHBondContact O-N 3.37Å; Q77-N81 PolarHBondContact O-ND2 3.38Å; Q77-N81 PolarHBondContact O-OD1 3.18Å; N81-A85 WeakPolarHBondContact O-CB 3.48Å; N81-A85 PolarHBondContact O-N 3.29Å; N81-A85 VanDerWaalsContact O-N 3.08Å |
| 82 | G | 97.9 | Very high | 97.9 | Very high | 33 Ų | 33 | 100.3 Ų | 100.3 | 34% | 0.34 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.1 | -33.7 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q78 T79 Q80 R86 | Q78-G82 PolarHBondContact O-N 2.87Å; Q78-G82 VanDerWaalsContact O-N 3.07Å; T79-G82 PolarHBondContact O-N 3.26Å; Q80-G82 PolarHBondContact O-N 3.2Å; G82-R86 WeakPolarHBondContact O-CB 3.42Å; G82-R86 WeakPolarHBondContact O-CD 3.45Å; G82-R86 VanDerWaalsContact O-CG 3.25Å; G82-R86 WeakPolarHBondContact O-CG 3.41Å; G82-R86 PolarHBondContact O-N 3.06Å |
| 83 | L | 97.7 | Very high | 98 | Very high | 101 Ų | 101 | 99.7 Ų | 99.7 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.5 | -42.8 | 174.4 | -72.9 | 171.1 | 0 | 0 | 0 | 111.9 | T79 Q80 R86 Q87 | T79-L83 HydrophobicContact CG2-CD1 4.11Å; T79-L83 HydrophobicContact CG2-CG 4.49Å; T79-L83 WeakPolarHBondContact O-CG 3.45Å; T79-L83 PolarHBondContact O-N 3.35Å; Q80-L83 PolarHBondContact O-N 3.39Å; L83-R86 PolarHBondContact O-N 3.37Å; L83-Q87 WeakPolarHBondContact O-CB 3.45Å; L83-Q87 PolarHBondContact O-N 3.39Å |
| 84 | E | 97.5 | Very high | 98 | Very high | 104 Ų | 104 | 99.6 Ų | 99.6 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 176.8 | -72.5 | 179.4 | -164.3 | 0 | 0 | 111.3 | Q80 R86 Q87 E88 | Q80-E84 HydrophobicContact CG-CG 4.36Å; Q80-E84 VanDerWaalsContact CG-OE1 3.31Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.29Å; Q80-E84 PolarHBondContact NE2-OE1 3.19Å; Q80-E84 WeakPolarHBondContact O-CG 3.47Å; Q80-E84 PolarHBondContact O-N 2.85Å; E84-R86 VanDerWaalsContact C-N 3.34Å; E84-R86 PolarHBondContact O-N 3.46Å; E84-Q87 PolarHBondContact O-N 2.95Å; E84-E88 PolarHBondContact O-N 2.83Å |
| 85 | A | 97.8 | Very high | 98 | Very high | 59 Ų | 59 | 99.1 Ų | 99.1 | 49% | 0.488 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -37.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | N81 A89 | N81-A85 WeakPolarHBondContact O-CB 3.48Å; N81-A85 PolarHBondContact O-N 3.29Å; N81-A85 VanDerWaalsContact O-N 3.08Å; A85-A89 PolarHBondContact O-N 3.05Å; A85-A89 VanDerWaalsContact O-N 3.15Å |
| 86 | R | 97.6 | Very high | 98 | Very high | 185 Ų | 185 | 96.3 Ų | 96.3 | 70% | 0.698 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.8 | -38.6 | 174.1 | -76.9 | 172.5 | 178.4 | -178.6 | 0.5 | 112.2 | G82 L83 E84 A89 M90 | G82-R86 WeakPolarHBondContact O-CB 3.42Å; G82-R86 WeakPolarHBondContact O-CD 3.45Å; G82-R86 VanDerWaalsContact O-CG 3.25Å; G82-R86 WeakPolarHBondContact O-CG 3.41Å; G82-R86 PolarHBondContact O-N 3.06Å; L83-R86 PolarHBondContact O-N 3.37Å; E84-R86 VanDerWaalsContact C-N 3.34Å; E84-R86 PolarHBondContact O-N 3.46Å; R86-A89 PolarHBondContact O-N 3.04Å; R86-M90 WeakPolarHBondContact O-CB 3.5Å; R86-M90 PolarHBondContact O-N 3.32Å |
| 87 | Q | 97.7 | Very high | 98 | Very high | 112 Ų | 112 | 96.5 Ų | 96.5 | 52% | 0.523 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65 | -45.7 | 175.5 | -177.2 | 178.2 | -30.9 | 0 | 0 | 110.8 | L83 E84 A89 M90 E91 | L83-Q87 WeakPolarHBondContact O-CB 3.45Å; L83-Q87 PolarHBondContact O-N 3.39Å; E84-Q87 PolarHBondContact O-N 2.95Å; Q87-A89 VanDerWaalsContact C-N 3.3Å; Q87-A89 PolarHBondContact O-N 3.21Å; Q87-M90 CarbonylContact O-C 3.6Å; Q87-M90 WeakPolarHBondContact O-CB 3.4Å; Q87-M90 PolarHBondContact O-N 2.75Å; Q87-M90 VanDerWaalsContact O-N 3.08Å; Q87-E91 HydrophobicContact CG-CG 4.36Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.24Å; Q87-E91 PolarHBondContact NE2-OE1 2.83Å; Q87-E91 WeakPolarHBondContact O-CG 3.29Å; Q87-E91 PolarHBondContact O-N 3.33Å |
| 88 | E | 97.9 | Very high | 98 | Very high | 109 Ų | 109 | 97.5 Ų | 97.5 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60 | -40.2 | 177.5 | -158.4 | -148 | 175.8 | 0 | 0 | 111.7 | E84 K92 | E84-E88 PolarHBondContact O-N 2.83Å; E88-K92 VanDerWaalsContact CD-CE 3.49Å; E88-K92 WeakPolarHBondContact O-CD 3.33Å; E88-K92 VanDerWaalsContact O-CG 3.25Å; E88-K92 WeakPolarHBondContact O-CG 3.49Å; E88-K92 PolarHBondContact O-N 2.99Å; E88-K92 VanDerWaalsContact O-N 3.09Å; E88-K92 WeakPolarHBondContact OE1-CE 3.47Å; E88-K92 IonicContact OE1-NZ 3Å; E88-K92 PolarHBondContact OE1-NZ 3.26Å; E88-K92 IonicContact OE2-NZ 2.64Å; E88-K92 PolarHBondContact OE2-NZ 3.5Å |
| 89 | A | 98.2 | Very high | 98.1 | Very high | 50 Ų | 50 | 92.6 Ų | 92.6 | 41% | 0.413 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.2 | -38.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | A85 R86 Q87 S93 | A85-A89 PolarHBondContact O-N 3.05Å; A85-A89 VanDerWaalsContact O-N 3.15Å; R86-A89 PolarHBondContact O-N 3.04Å; Q87-A89 VanDerWaalsContact C-N 3.3Å; Q87-A89 PolarHBondContact O-N 3.21Å; A89-S93 WeakPolarHBondContact O-CB 3.41Å; A89-S93 PolarHBondContact O-N 3.39Å; A89-S93 PolarHBondContact O-OG 2.76Å |
| 90 | M | 98.6 | Very high | 98.1 | Very high | 127 Ų | 127 | 94.4 Ų | 94.4 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.3 | -44.7 | 175.6 | -170.1 | -177.5 | -64 | 0 | 0 | 111.5 | R86 Q87 K92 S93 V94 | R86-M90 WeakPolarHBondContact O-CB 3.5Å; R86-M90 PolarHBondContact O-N 3.32Å; Q87-M90 CarbonylContact O-C 3.6Å; Q87-M90 WeakPolarHBondContact O-CB 3.4Å; Q87-M90 PolarHBondContact O-N 2.75Å; Q87-M90 VanDerWaalsContact O-N 3.08Å; M90-K92 PolarHBondContact O-N 2.96Å; M90-S93 WeakPolarHBondContact O-CB 3.37Å; M90-S93 PolarHBondContact O-N 2.97Å; M90-S93 VanDerWaalsContact O-N 3.11Å; M90-V94 HydrophobicContact CG-CG2 4.45Å; M90-V94 WeakPolarHBondContact O-CG2 3.48Å; M90-V94 PolarHBondContact O-N 3.47Å |
| 91 | E | 97.7 | Very high | 98.1 | Very high | 112 Ų | 112 | 95.1 Ų | 95.1 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 177.4 | -73.5 | 178.9 | -163.9 | 0 | 0 | 112 | Q87 S93 V94 S95 | Q87-E91 HydrophobicContact CG-CG 4.36Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.24Å; Q87-E91 PolarHBondContact NE2-OE1 2.83Å; Q87-E91 WeakPolarHBondContact O-CG 3.29Å; Q87-E91 PolarHBondContact O-N 3.33Å; E91-S93 VanDerWaalsContact C-N 3.32Å; E91-S93 PolarHBondContact O-N 3.46Å; E91-V94 PolarHBondContact O-N 3.22Å; E91-S95 WeakPolarHBondContact O-CB 3.46Å; E91-S95 PolarHBondContact O-N 2.84Å |
| 92 | K | 98.4 | Very high | 98.2 | Very high | 109 Ų | 109 | 93.6 Ų | 93.6 | 47% | 0.474 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.6 | -41.8 | 171.2 | -72.2 | 164.4 | -173.8 | 168 | 0 | 112 | E88 M90 T96 | E88-K92 VanDerWaalsContact CD-CE 3.49Å; E88-K92 WeakPolarHBondContact O-CD 3.33Å; E88-K92 VanDerWaalsContact O-CG 3.25Å; E88-K92 WeakPolarHBondContact O-CG 3.49Å; E88-K92 PolarHBondContact O-N 2.99Å; E88-K92 VanDerWaalsContact O-N 3.09Å; E88-K92 WeakPolarHBondContact OE1-CE 3.47Å; E88-K92 IonicContact OE1-NZ 3Å; E88-K92 PolarHBondContact OE1-NZ 3.26Å; E88-K92 IonicContact OE2-NZ 2.64Å; E88-K92 PolarHBondContact OE2-NZ 3.5Å; M90-K92 PolarHBondContact O-N 2.96Å; K92-T96 WeakPolarHBondContact O-CB 3.35Å; K92-T96 PolarHBondContact O-N 3.21Å; K92-T96 PolarHBondContact O-OG1 3.42Å |
| 93 | S | 98.6 | Very high | 98.2 | Very high | 65 Ų | 65 | 98.7 Ų | 98.7 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.6 | -46.8 | 179.7 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | A89 M90 E91 S95 T96 I97 | A89-S93 WeakPolarHBondContact O-CB 3.41Å; A89-S93 PolarHBondContact O-N 3.39Å; A89-S93 PolarHBondContact O-OG 2.76Å; M90-S93 WeakPolarHBondContact O-CB 3.37Å; M90-S93 PolarHBondContact O-N 2.97Å; M90-S93 VanDerWaalsContact O-N 3.11Å; E91-S93 VanDerWaalsContact C-N 3.32Å; E91-S93 PolarHBondContact O-N 3.46Å; S93-S95 PolarHBondContact O-N 3.16Å; S93-T96 WeakPolarHBondContact O-CB 3.35Å; S93-T96 PolarHBondContact O-N 3.33Å; S93-I97 VanDerWaalsContact O-CG1 3.3Å; S93-I97 WeakPolarHBondContact O-CG1 3.49Å; S93-I97 PolarHBondContact O-N 3.31Å |
| 94 | V | 98.5 | Very high | 98.2 | Very high | 68 Ų | 68 | 99.2 Ų | 99.2 | 41% | 0.412 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 175.9 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | M90 E91 T96 I97 Q98 | M90-V94 HydrophobicContact CG-CG2 4.45Å; M90-V94 WeakPolarHBondContact O-CG2 3.48Å; M90-V94 PolarHBondContact O-N 3.47Å; E91-V94 PolarHBondContact O-N 3.22Å; V94-T96 VanDerWaalsContact C-N 3.33Å; V94-T96 PolarHBondContact O-N 3.5Å; V94-I97 PolarHBondContact O-N 2.83Å; V94-Q98 HydrophobicContact CG1-CG 4.47Å; V94-Q98 WeakPolarHBondContact O-CB 3.4Å; V94-Q98 VanDerWaalsContact O-CG 3.29Å; V94-Q98 WeakPolarHBondContact O-CG 3.4Å; V94-Q98 PolarHBondContact O-N 3.19Å |
| 95 | S | 98.5 | Very high | 98.3 | Very high | 78 Ų | 78 | 97.5 Ų | 97.5 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 175.6 | -175.7 | 0 | 0 | 0 | 0 | 112.1 | E91 S93 Q98 G99 | E91-S95 WeakPolarHBondContact O-CB 3.46Å; E91-S95 PolarHBondContact O-N 2.84Å; S93-S95 PolarHBondContact O-N 3.16Å; S95-Q98 PolarHBondContact O-N 2.93Å; S95-G99 PolarHBondContact O-N 3.45Å |
| 96 | T | 98.5 | Very high | 98.3 | Very high | 81 Ų | 81 | 101.3 Ų | 101.3 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.3 | -49.3 | 175.1 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | K92 S93 V94 Q98 G99 E100 | K92-T96 WeakPolarHBondContact O-CB 3.35Å; K92-T96 PolarHBondContact O-N 3.21Å; K92-T96 PolarHBondContact O-OG1 3.42Å; S93-T96 WeakPolarHBondContact O-CB 3.35Å; S93-T96 PolarHBondContact O-N 3.33Å; V94-T96 VanDerWaalsContact C-N 3.33Å; V94-T96 PolarHBondContact O-N 3.5Å; T96-Q98 VanDerWaalsContact C-N 3.32Å; T96-Q98 PolarHBondContact O-N 3.48Å; T96-G99 PolarHBondContact O-N 3.13Å; T96-G99 VanDerWaalsContact O-N 3.1Å; T96-E100 WeakPolarHBondContact O-CG 3.32Å; T96-E100 PolarHBondContact O-N 3.18Å |
| 97 | I | 98.5 | Very high | 98.4 | Very high | 105 Ų | 105 | 96.3 Ų | 96.3 | 54% | 0.538 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.6 | -40.9 | 177.6 | -68.4 | 163.2 | 0 | 0 | 0 | 111.4 | S93 V94 E100 L101 | S93-I97 VanDerWaalsContact O-CG1 3.3Å; S93-I97 WeakPolarHBondContact O-CG1 3.49Å; S93-I97 PolarHBondContact O-N 3.31Å; V94-I97 PolarHBondContact O-N 2.83Å; I97-E100 PolarHBondContact O-N 2.84Å; I97-L101 VanDerWaalsContact O-CB 3.23Å; I97-L101 WeakPolarHBondContact O-CB 3.3Å; I97-L101 PolarHBondContact O-N 3.21Å |
| 98 | Q | 98.4 | Very high | 98.4 | Very high | 129 Ų | 129 | 97.2 Ų | 97.2 | 60% | 0.603 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.2 | -41.4 | 175 | -73.8 | 175.7 | 10.9 | 0 | 0 | 112.1 | V94 S95 T96 A102 | V94-Q98 HydrophobicContact CG1-CG 4.47Å; V94-Q98 WeakPolarHBondContact O-CB 3.4Å; V94-Q98 VanDerWaalsContact O-CG 3.29Å; V94-Q98 WeakPolarHBondContact O-CG 3.4Å; V94-Q98 PolarHBondContact O-N 3.19Å; S95-Q98 PolarHBondContact O-N 2.93Å; T96-Q98 VanDerWaalsContact C-N 3.32Å; T96-Q98 PolarHBondContact O-N 3.48Å; Q98-A102 WeakPolarHBondContact O-CB 3.39Å; Q98-A102 PolarHBondContact O-N 3.16Å |
| 99 | G | 98.4 | Very high | 98.4 | Very high | 43 Ų | 43 | 95.6 Ų | 95.6 | 44% | 0.443 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S95 T96 K103 | S95-G99 PolarHBondContact O-N 3.45Å; T96-G99 PolarHBondContact O-N 3.13Å; T96-G99 VanDerWaalsContact O-N 3.1Å; G99-K103 WeakPolarHBondContact O-CB 3.38Å; G99-K103 PolarHBondContact O-N 3.05Å |
| 100 | E | 98.4 | Very high | 98.4 | Very high | 121 Ų | 121 | 97.1 Ų | 97.1 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.3 | -41.1 | 176.7 | -69.2 | -167.9 | 153.3 | 0 | 0 | 112.5 | T96 I97 A102 K103 L104 | T96-E100 WeakPolarHBondContact O-CG 3.32Å; T96-E100 PolarHBondContact O-N 3.18Å; I97-E100 PolarHBondContact O-N 2.84Å; E100-A102 PolarHBondContact O-N 3.27Å; E100-K103 WeakPolarHBondContact O-CB 3.22Å; E100-K103 PolarHBondContact O-N 3.46Å; E100-L104 WeakPolarHBondContact O-CB 3.47Å; E100-L104 PolarHBondContact O-N 2.96Å |
| 101 | L | 98.6 | Very high | 98.4 | Very high | 112 Ų | 112 | 95 Ų | 95 | 59% | 0.586 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.9 | -41.2 | 174.7 | -178.9 | 60.6 | 0 | 0 | 0 | 111.7 | I97 L104 S105 | I97-L101 VanDerWaalsContact O-CB 3.23Å; I97-L101 WeakPolarHBondContact O-CB 3.3Å; I97-L101 PolarHBondContact O-N 3.21Å; L101-L104 PolarHBondContact O-N 2.96Å; L101-S105 VanDerWaalsContact O-CB 3.27Å; L101-S105 WeakPolarHBondContact O-CB 3.36Å; L101-S105 PolarHBondContact O-N 3.5Å |
| 102 | A | 98.3 | Very high | 98.5 | Very high | 63 Ų | 63 | 91.4 Ų | 91.4 | 52% | 0.521 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q98 E100 K106 | Q98-A102 WeakPolarHBondContact O-CB 3.39Å; Q98-A102 PolarHBondContact O-N 3.16Å; E100-A102 PolarHBondContact O-N 3.27Å; A102-K106 PolarHBondContact O-N 3.09Å |
| 103 | K | 98.6 | Very high | 98.5 | Very high | 140 Ų | 140 | 89.7 Ų | 89.7 | 61% | 0.609 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.1 | -43.6 | 174.7 | -176.7 | -176.2 | 177.2 | -171.2 | 0 | 111.7 | G99 E100 K106 N107 | G99-K103 WeakPolarHBondContact O-CB 3.38Å; G99-K103 PolarHBondContact O-N 3.05Å; E100-K103 WeakPolarHBondContact O-CB 3.22Å; E100-K103 PolarHBondContact O-N 3.46Å; K103-K106 PolarHBondContact O-N 2.89Å; K103-N107 PolarHBondContact O-N 3.25Å; K103-N107 PolarHBondContact O-OD1 3.31Å |
| 104 | L | 98.6 | Very high | 98.5 | Very high | 111 Ų | 111 | 90.7 Ų | 90.7 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.7 | -45.4 | 176.5 | 179 | 59.9 | 0 | 0 | 0 | 111.6 | E100 L101 K106 N107 H108 | E100-L104 WeakPolarHBondContact O-CB 3.47Å; E100-L104 PolarHBondContact O-N 2.96Å; L101-L104 PolarHBondContact O-N 2.96Å; L104-K106 VanDerWaalsContact C-N 3.33Å; L104-K106 PolarHBondContact O-N 3.18Å; L104-N107 PolarHBondContact O-N 3.09Å; L104-N107 VanDerWaalsContact O-N 3.16Å; L104-H108 WeakPolarHBondContact O-CB 3.33Å; L104-H108 PolarHBondContact O-N 2.63Å |
| 105 | S | 98.5 | Very high | 98.5 | Very high | 69 Ų | 69 | 91 Ų | 91 | 48% | 0.483 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.3 | -44.9 | 175.3 | 179.1 | 0 | 0 | 0 | 0 | 111.6 | L101 H108 V109 | L101-S105 VanDerWaalsContact O-CB 3.27Å; L101-S105 WeakPolarHBondContact O-CB 3.36Å; L101-S105 PolarHBondContact O-N 3.5Å; S105-H108 PolarHBondContact O-N 3.23Å; S105-V109 WeakPolarHBondContact O-CG2 3.42Å; S105-V109 PolarHBondContact O-N 2.9Å |
| 106 | K | 98.5 | Very high | 98.5 | Very high | 138 Ų | 138 | 91.5 Ų | 91.5 | 60% | 0.6 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.2 | -47.8 | 173.3 | -174.4 | -176.6 | 174.6 | -172.8 | 0 | 112.3 | A102 K103 L104 H108 V109 D110 | A102-K106 PolarHBondContact O-N 3.09Å; K103-K106 PolarHBondContact O-N 2.89Å; L104-K106 VanDerWaalsContact C-N 3.33Å; L104-K106 PolarHBondContact O-N 3.18Å; K106-H108 VanDerWaalsContact C-N 3.26Å; K106-H108 PolarHBondContact O-N 2.62Å; K106-V109 PolarHBondContact O-N 3.37Å; K106-V109 VanDerWaalsContact O-N 3.14Å; K106-D110 PolarHBondContact O-N 3.11Å |
| 107 | N | 98.4 | Very high | 98.5 | Very high | 81 Ų | 81 | 93.7 Ų | 93.7 | 43% | 0.433 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -37.1 | 178 | -67.9 | -10.7 | 0 | 0 | 0 | 111.9 | K103 L104 D110 T111 | K103-N107 PolarHBondContact O-N 3.25Å; K103-N107 PolarHBondContact O-OD1 3.31Å; L104-N107 PolarHBondContact O-N 3.09Å; L104-N107 VanDerWaalsContact O-N 3.16Å; N107-D110 PolarHBondContact O-N 3.06Å; N107-T111 WeakPolarHBondContact O-CB 3.42Å; N107-T111 PolarHBondContact O-N 3.35Å; N107-T111 PolarHBondContact O-OG1 2.88Å |
| 108 | H | 98.5 | Very high | 98.5 | Very high | 130 Ų | 130 | 94.6 Ų | 94.6 | 60% | 0.602 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.9 | -43.8 | 174.4 | 178.3 | -109 | 0 | 0 | 0 | 111.5 | L104 S105 K106 T111 A112 | L104-H108 WeakPolarHBondContact O-CB 3.33Å; L104-H108 PolarHBondContact O-N 2.63Å; S105-H108 PolarHBondContact O-N 3.23Å; K106-H108 VanDerWaalsContact C-N 3.26Å; K106-H108 PolarHBondContact O-N 2.62Å; H108-T111 WeakPolarHBondContact O-CB 3.27Å; H108-T111 PolarHBondContact O-N 3.32Å; H108-A112 WeakPolarHBondContact O-CB 3.49Å; H108-A112 PolarHBondContact O-N 2.81Å |
| 109 | V | 98.4 | Very high | 98.5 | Very high | 75 Ų | 75 | 92 Ų | 92 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 174.2 | 169.9 | 0 | 0 | 0 | 0 | 111.8 | S105 K106 T111 A112 N113 | S105-V109 WeakPolarHBondContact O-CG2 3.42Å; S105-V109 PolarHBondContact O-N 2.9Å; K106-V109 PolarHBondContact O-N 3.37Å; K106-V109 VanDerWaalsContact O-N 3.14Å; V109-T111 VanDerWaalsContact C-N 3.29Å; V109-T111 PolarHBondContact O-N 3.33Å; V109-A112 PolarHBondContact O-N 2.96Å; V109-N113 VanDerWaalsContact O-CB 3.3Å; V109-N113 WeakPolarHBondContact O-CB 3.43Å; V109-N113 VanDerWaalsContact O-CG 3.29Å; V109-N113 PolarHBondContact O-N 3.04Å; V109-N113 PolarHBondContact O-ND2 3.26Å |
| 110 | D | 98.5 | Very high | 98.5 | Very high | 83 Ų | 83 | 93.3 Ų | 93.3 | 44% | 0.444 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.8 | -32.3 | 176.3 | -76.4 | -34.3 | 0 | 0 | 0 | 112.4 | K106 N107 T114 | K106-D110 PolarHBondContact O-N 3.11Å; N107-D110 PolarHBondContact O-N 3.06Å; D110-T114 PolarHBondContact O-N 3.33Å; D110-T114 PolarHBondContact O-OG1 3.33Å |
| 111 | T | 98.7 | Very high | 98.5 | Very high | 81 Ų | 81 | 94.4 Ų | 94.4 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.3 | -50 | 172.9 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | N107 H108 V109 N113 T114 V115 | N107-T111 WeakPolarHBondContact O-CB 3.42Å; N107-T111 PolarHBondContact O-N 3.35Å; N107-T111 PolarHBondContact O-OG1 2.88Å; H108-T111 WeakPolarHBondContact O-CB 3.27Å; H108-T111 PolarHBondContact O-N 3.32Å; V109-T111 VanDerWaalsContact C-N 3.29Å; V109-T111 PolarHBondContact O-N 3.33Å; T111-N113 VanDerWaalsContact C-N 3.31Å; T111-N113 PolarHBondContact O-N 2.96Å; T111-T114 CarbonylContact O-C 3.57Å; T111-T114 WeakPolarHBondContact O-CA 3.41Å; T111-T114 WeakPolarHBondContact O-CB 3.17Å; T111-T114 PolarHBondContact O-N 2.9Å; T111-V115 PolarHBondContact O-N 2.85Å |
| 112 | A | 98.6 | Very high | 98.5 | Very high | 37 Ų | 37 | 93 Ų | 93 | 31% | 0.306 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.8 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | H108 V109 T114 V115 N116 | H108-A112 WeakPolarHBondContact O-CB 3.49Å; H108-A112 PolarHBondContact O-N 2.81Å; V109-A112 PolarHBondContact O-N 2.96Å; A112-T114 PolarHBondContact O-N 2.97Å; A112-V115 PolarHBondContact O-N 3.48Å; A112-N116 WeakPolarHBondContact O-CB 3.41Å; A112-N116 PolarHBondContact O-N 3.11Å; A112-N116 PolarHBondContact O-ND2 3.2Å |
| 113 | N | 98.4 | Very high | 98.5 | Very high | 73 Ų | 73 | 96.8 Ų | 96.8 | 39% | 0.39 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.8 | -27.5 | 171 | -81.2 | -44.6 | 0 | 0 | 0 | 113.2 | V109 T111 K117 | V109-N113 VanDerWaalsContact O-CB 3.3Å; V109-N113 WeakPolarHBondContact O-CB 3.43Å; V109-N113 VanDerWaalsContact O-CG 3.29Å; V109-N113 PolarHBondContact O-N 3.04Å; V109-N113 PolarHBondContact O-ND2 3.26Å; T111-N113 VanDerWaalsContact C-N 3.31Å; T111-N113 PolarHBondContact O-N 2.96Å; N113-K117 WeakPolarHBondContact O-CD 3.26Å; N113-K117 VanDerWaalsContact O-CE 3.23Å; N113-K117 WeakPolarHBondContact O-CE 3.18Å; N113-K117 WeakPolarHBondContact O-CG 3.35Å; N113-K117 PolarHBondContact O-N 3.32Å |
| 114 | T | 98.6 | Very high | 98.5 | Very high | 86 Ų | 86 | 96.5 Ų | 96.5 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -84 | -40 | 177 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | D110 T111 A112 K117 M118 | D110-T114 PolarHBondContact O-N 3.33Å; D110-T114 PolarHBondContact O-OG1 3.33Å; T111-T114 CarbonylContact O-C 3.57Å; T111-T114 WeakPolarHBondContact O-CA 3.41Å; T111-T114 WeakPolarHBondContact O-CB 3.17Å; T111-T114 PolarHBondContact O-N 2.9Å; A112-T114 PolarHBondContact O-N 2.97Å; T114-K117 PolarHBondContact O-N 3.13Å; T114-M118 PolarHBondContact O-N 2.97Å |
| 115 | V | 98.7 | Very high | 98.5 | Very high | 76 Ų | 76 | 95.2 Ų | 95.2 | 46% | 0.461 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 171 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | T111 A112 K117 M118 L119 | T111-V115 PolarHBondContact O-N 2.85Å; A112-V115 PolarHBondContact O-N 3.48Å; V115-K117 PolarHBondContact O-N 2.89Å; V115-M118 CarbonylContact O-C 3.59Å; V115-M118 WeakPolarHBondContact O-CA 3.45Å; V115-M118 WeakPolarHBondContact O-CB 3.2Å; V115-M118 PolarHBondContact O-N 3.33Å; V115-L119 HydrophobicContact CG1-CD1 4.25Å; V115-L119 HydrophobicContact CG1-CG 4.36Å; V115-L119 WeakPolarHBondContact O-CG 3.37Å; V115-L119 PolarHBondContact O-N 3.02Å |
| 116 | N | 98.4 | Very high | 98.4 | Very high | 88 Ų | 88 | 94.5 Ų | 94.5 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 176.2 | -78.2 | -34 | 0 | 0 | 0 | 112.6 | A112 M118 L119 D120 | A112-N116 WeakPolarHBondContact O-CB 3.41Å; A112-N116 PolarHBondContact O-N 3.11Å; A112-N116 PolarHBondContact O-ND2 3.2Å; N116-M118 PolarHBondContact O-N 3.27Å; N116-L119 PolarHBondContact O-N 2.88Å; N116-D120 PolarHBondContact O-N 3.11Å |
| 117 | K | 98.5 | Very high | 98.4 | Very high | 127 Ų | 127 | 92 Ų | 92 | 55% | 0.552 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.3 | -29.5 | 173 | -67.7 | 161.9 | -163.4 | 159 | 0 | 112.5 | N113 T114 V115 K121 | N113-K117 WeakPolarHBondContact O-CD 3.26Å; N113-K117 VanDerWaalsContact O-CE 3.23Å; N113-K117 WeakPolarHBondContact O-CE 3.18Å; N113-K117 WeakPolarHBondContact O-CG 3.35Å; N113-K117 PolarHBondContact O-N 3.32Å; T114-K117 PolarHBondContact O-N 3.13Å; V115-K117 PolarHBondContact O-N 2.89Å; K117-K121 WeakPolarHBondContact O-CG 3.33Å; K117-K121 PolarHBondContact O-N 3.22Å |
| 118 | M | 98.4 | Very high | 98.4 | Very high | 124 Ų | 124 | 93 Ų | 93 | 61% | 0.611 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -75.8 | -43.4 | 175.3 | -175.6 | 166.7 | 171.2 | 0 | 0 | 111.7 | T114 V115 N116 D120 K121 V122 | T114-M118 PolarHBondContact O-N 2.97Å; V115-M118 CarbonylContact O-C 3.59Å; V115-M118 WeakPolarHBondContact O-CA 3.45Å; V115-M118 WeakPolarHBondContact O-CB 3.2Å; V115-M118 PolarHBondContact O-N 3.33Å; N116-M118 PolarHBondContact O-N 3.27Å; M118-D120 VanDerWaalsContact C-N 3.28Å; M118-D120 PolarHBondContact O-N 3.32Å; M118-K121 CarbonylContact O-C 3.58Å; M118-K121 WeakPolarHBondContact O-CA 3.33Å; M118-K121 WeakPolarHBondContact O-CB 3.45Å; M118-K121 PolarHBondContact O-N 3.08Å; M118-V122 WeakPolarHBondContact O-CG2 3.44Å; M118-V122 PolarHBondContact O-N 3.3Å |
| 119 | L | 98.5 | Very high | 98.4 | Very high | 73 Ų | 73 | 91.1 Ų | 91.1 | 38% | 0.382 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.3 | -41.7 | 173.5 | -68.7 | 174 | 0 | 0 | 0 | 111.4 | V115 N116 K121 V122 R123 | V115-L119 HydrophobicContact CG1-CD1 4.25Å; V115-L119 HydrophobicContact CG1-CG 4.36Å; V115-L119 WeakPolarHBondContact O-CG 3.37Å; V115-L119 PolarHBondContact O-N 3.02Å; N116-L119 PolarHBondContact O-N 2.88Å; L119-K121 VanDerWaalsContact C-N 3.35Å; L119-K121 PolarHBondContact O-N 3.14Å; L119-V122 PolarHBondContact O-N 3.26Å; L119-R123 VanDerWaalsContact O-CG 3.29Å; L119-R123 WeakPolarHBondContact O-CG 3.23Å; L119-R123 PolarHBondContact O-N 3.12Å |
| 120 | D | 98.3 | Very high | 98.4 | Very high | 72 Ų | 72 | 94.4 Ų | 94.4 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.1 | -30.8 | 175 | -77.3 | -9.7 | 0 | 0 | 0 | 113.9 | N116 M118 R123 K124 | N116-D120 PolarHBondContact O-N 3.11Å; M118-D120 VanDerWaalsContact C-N 3.28Å; M118-D120 PolarHBondContact O-N 3.32Å; D120-R123 IonicContact OD1-CZ 2.7Å; D120-R123 IonicContact OD1-NH1 2.71Å; D120-R123 PolarHBondContact OD1-NH1 3.41Å; D120-K124 WeakPolarHBondContact O-CB 3.42Å; D120-K124 VanDerWaalsContact O-CD 3.3Å; D120-K124 WeakPolarHBondContact O-CD 3.38Å; D120-K124 VanDerWaalsContact O-CG 3.24Å; D120-K124 WeakPolarHBondContact O-CG 3.32Å; D120-K124 PolarHBondContact O-N 2.8Å; D120-K124 VanDerWaalsContact O-N 3.16Å |
| 121 | K | 98.1 | Very high | 98.4 | Very high | 144 Ų | 144 | 93.9 Ų | 93.9 | 63% | 0.626 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.9 | -44.2 | 169.2 | -73.4 | 170 | -179.6 | -179.3 | 0 | 110.7 | K117 M118 L119 R123 K124 V125 | K117-K121 WeakPolarHBondContact O-CG 3.33Å; K117-K121 PolarHBondContact O-N 3.22Å; M118-K121 CarbonylContact O-C 3.58Å; M118-K121 WeakPolarHBondContact O-CA 3.33Å; M118-K121 WeakPolarHBondContact O-CB 3.45Å; M118-K121 PolarHBondContact O-N 3.08Å; L119-K121 VanDerWaalsContact C-N 3.35Å; L119-K121 PolarHBondContact O-N 3.14Å; K121-R123 PolarHBondContact O-N 3.47Å; K121-K124 PolarHBondContact O-N 3.31Å; K121-V125 WeakPolarHBondContact O-CG2 3.3Å; K121-V125 PolarHBondContact O-N 3.27Å |
| 122 | V | 98.5 | Very high | 98.4 | Very high | 82 Ų | 82 | 94.6 Ų | 94.6 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.4 | -44 | 177.4 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | M118 L119 K124 V125 S126 | M118-V122 WeakPolarHBondContact O-CG2 3.44Å; M118-V122 PolarHBondContact O-N 3.3Å; L119-V122 PolarHBondContact O-N 3.26Å; V122-K124 PolarHBondContact O-N 2.85Å; V122-V125 PolarHBondContact O-N 2.88Å; V122-S126 WeakPolarHBondContact O-CB 3.42Å; V122-S126 PolarHBondContact O-N 3.19Å |
| 123 | R | 98.3 | Very high | 98.4 | Very high | 142 Ų | 142 | 100.7 Ų | 100.7 | 54% | 0.536 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -56.5 | -47.6 | 172.6 | -71.4 | 167.3 | -176.4 | 135.3 | 1.7 | 111.6 | L119 D120 K121 S126 V127 | L119-R123 VanDerWaalsContact O-CG 3.29Å; L119-R123 WeakPolarHBondContact O-CG 3.23Å; L119-R123 PolarHBondContact O-N 3.12Å; D120-R123 IonicContact OD1-CZ 2.7Å; D120-R123 IonicContact OD1-NH1 2.71Å; D120-R123 PolarHBondContact OD1-NH1 3.41Å; K121-R123 PolarHBondContact O-N 3.47Å; R123-S126 WeakPolarHBondContact O-CB 3.45Å; R123-S126 PolarHBondContact O-N 3.39Å; R123-V127 WeakPolarHBondContact O-CG2 3.23Å; R123-V127 PolarHBondContact O-N 2.9Å |
| 124 | K | 98.3 | Very high | 98.4 | Very high | 134 Ų | 134 | 99.3 Ų | 99.3 | 58% | 0.583 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.8 | -41.9 | 177.6 | -72.3 | 163.3 | -172.7 | 162.2 | 0 | 112.5 | D120 K121 V122 V127 N128 | D120-K124 WeakPolarHBondContact O-CB 3.42Å; D120-K124 VanDerWaalsContact O-CD 3.3Å; D120-K124 WeakPolarHBondContact O-CD 3.38Å; D120-K124 VanDerWaalsContact O-CG 3.24Å; D120-K124 WeakPolarHBondContact O-CG 3.32Å; D120-K124 PolarHBondContact O-N 2.8Å; D120-K124 VanDerWaalsContact O-N 3.16Å; K121-K124 PolarHBondContact O-N 3.31Å; V122-K124 PolarHBondContact O-N 2.85Å; K124-V127 PolarHBondContact O-N 2.8Å; K124-N128 VanDerWaalsContact O-CG 3.24Å; K124-N128 PolarHBondContact O-N 3.24Å; K124-N128 PolarHBondContact O-OD1 3.2Å |
| 125 | V | 98.6 | Very high | 98.4 | Very high | 84 Ų | 84 | 98.8 Ų | 98.8 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 174.6 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | K121 V122 V127 N128 V129 | K121-V125 WeakPolarHBondContact O-CG2 3.3Å; K121-V125 PolarHBondContact O-N 3.27Å; V122-V125 PolarHBondContact O-N 2.88Å; V125-V127 PolarHBondContact O-N 3.36Å; V125-N128 PolarHBondContact O-N 2.98Å; V125-V129 HydrophobicContact CG1-CG2 4.24Å; V125-V129 WeakPolarHBondContact O-CB 3.46Å; V125-V129 WeakPolarHBondContact O-CG2 3.49Å; V125-V129 PolarHBondContact O-N 2.99Å |
| 126 | S | 98 | Very high | 98.3 | Very high | 54 Ų | 54 | 100.2 Ų | 100.2 | 38% | 0.378 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 175.4 | -171.5 | 0 | 0 | 0 | 0 | 112.2 | V122 R123 V129 K130 | V122-S126 WeakPolarHBondContact O-CB 3.42Å; V122-S126 PolarHBondContact O-N 3.19Å; R123-S126 WeakPolarHBondContact O-CB 3.45Å; R123-S126 PolarHBondContact O-N 3.39Å; S126-V129 PolarHBondContact O-N 3.37Å; S126-K130 WeakPolarHBondContact O-CB 3.37Å; S126-K130 VanDerWaalsContact O-CG 3.29Å; S126-K130 WeakPolarHBondContact O-CG 3.36Å; S126-K130 PolarHBondContact O-N 3.38Å |
| 127 | V | 98.3 | Very high | 98.3 | Very high | 87 Ų | 87 | 100.5 Ų | 100.5 | 53% | 0.527 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 174.8 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | R123 K124 V125 K130 T131 | R123-V127 WeakPolarHBondContact O-CG2 3.23Å; R123-V127 PolarHBondContact O-N 2.9Å; K124-V127 PolarHBondContact O-N 2.8Å; V125-V127 PolarHBondContact O-N 3.36Å; V127-K130 PolarHBondContact O-N 2.94Å; V127-T131 WeakPolarHBondContact O-CB 3.3Å; V127-T131 PolarHBondContact O-N 3.3Å; V127-T131 PolarHBondContact O-OG1 2.91Å |
| 128 | N | 98.3 | Very high | 98.3 | Very high | 101 Ų | 101 | 99.7 Ų | 99.7 | 54% | 0.54 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 175.9 | -70.1 | -7.6 | 0 | 0 | 0 | 111.6 | K124 V125 T131 V132 | K124-N128 VanDerWaalsContact O-CG 3.24Å; K124-N128 PolarHBondContact O-N 3.24Å; K124-N128 PolarHBondContact O-OD1 3.2Å; V125-N128 PolarHBondContact O-N 2.98Å; N128-T131 WeakPolarHBondContact O-CB 3.19Å; N128-T131 PolarHBondContact O-N 2.84Å; N128-T131 VanDerWaalsContact O-N 3.17Å; N128-V132 WeakPolarHBondContact O-CG2 3.44Å; N128-V132 PolarHBondContact O-N 3.5Å |
| 129 | V | 98.5 | Very high | 98.2 | Very high | 90 Ų | 90 | 99.3 Ų | 99.3 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 177.6 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | V125 S126 T131 V132 R133 | V125-V129 HydrophobicContact CG1-CG2 4.24Å; V125-V129 WeakPolarHBondContact O-CB 3.46Å; V125-V129 WeakPolarHBondContact O-CG2 3.49Å; V125-V129 PolarHBondContact O-N 2.99Å; S126-V129 PolarHBondContact O-N 3.37Å; V129-T131 VanDerWaalsContact C-N 3.29Å; V129-T131 PolarHBondContact O-N 2.74Å; V129-V132 PolarHBondContact O-N 3.06Å; V129-R133 VanDerWaalsContact O-CB 3.31Å; V129-R133 WeakPolarHBondContact O-CB 3.39Å; V129-R133 PolarHBondContact O-N 3.12Å |
| 130 | K | 98.3 | Very high | 98.2 | Very high | 144 Ų | 144 | 98.2 Ų | 98.2 | 63% | 0.626 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.7 | -38.8 | 173.1 | -72.4 | 174.1 | -178.4 | -174.9 | 0 | 112.1 | S126 V127 S134 | S126-K130 WeakPolarHBondContact O-CB 3.37Å; S126-K130 VanDerWaalsContact O-CG 3.29Å; S126-K130 WeakPolarHBondContact O-CG 3.36Å; S126-K130 PolarHBondContact O-N 3.38Å; V127-K130 PolarHBondContact O-N 2.94Å; K130-S134 WeakPolarHBondContact O-CB 3.36Å; K130-S134 PolarHBondContact O-N 3.07Å |
| 131 | T | 98.3 | Very high | 98.2 | Very high | 73 Ų | 73 | 96.5 Ų | 96.5 | 45% | 0.448 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.2 | -44.7 | 177.8 | -55.4 | 0 | 0 | 0 | 0 | 112 | V127 N128 V129 S134 N135 | V127-T131 WeakPolarHBondContact O-CB 3.3Å; V127-T131 PolarHBondContact O-N 3.3Å; V127-T131 PolarHBondContact O-OG1 2.91Å; N128-T131 WeakPolarHBondContact O-CB 3.19Å; N128-T131 PolarHBondContact O-N 2.84Å; N128-T131 VanDerWaalsContact O-N 3.17Å; V129-T131 VanDerWaalsContact C-N 3.29Å; V129-T131 PolarHBondContact O-N 2.74Å; T131-S134 PolarHBondContact O-N 2.99Å; T131-N135 PolarHBondContact O-N 2.85Å; T131-N135 VanDerWaalsContact O-N 3.07Å; T131-N135 PolarHBondContact O-ND2 3.19Å |
| 132 | V | 98.6 | Very high | 98.1 | Very high | 96 Ų | 96 | 95.4 Ų | 95.4 | 58% | 0.582 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.1 | -46.4 | 174.6 | 169.8 | 0 | 0 | 0 | 0 | 110.4 | N128 V129 S134 N135 L136 | N128-V132 WeakPolarHBondContact O-CG2 3.44Å; N128-V132 PolarHBondContact O-N 3.5Å; V129-V132 PolarHBondContact O-N 3.06Å; V132-S134 PolarHBondContact O-N 2.99Å; V132-N135 PolarHBondContact O-N 3.43Å; V132-N135 VanDerWaalsContact O-N 3.13Å; V132-L136 PolarHBondContact O-N 2.91Å |
| 133 | R | 98.3 | Very high | 98 | Very high | 165 Ų | 165 | 95.8 Ų | 95.8 | 62% | 0.623 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -56.5 | -49.6 | 175 | 176.8 | 177 | 165.6 | 162.9 | 2 | 112 | V129 N135 L136 E137 | V129-R133 VanDerWaalsContact O-CB 3.31Å; V129-R133 WeakPolarHBondContact O-CB 3.39Å; V129-R133 PolarHBondContact O-N 3.12Å; R133-N135 PolarHBondContact O-N 3.22Å; R133-L136 WeakPolarHBondContact O-CB 3.37Å; R133-L136 PolarHBondContact O-N 2.94Å; R133-L136 VanDerWaalsContact O-N 3.12Å; R133-E137 HydrophobicContact CG-CG 4.4Å; R133-E137 IonicContact CZ-OE1 3.54Å; R133-E137 IonicContact NE-OE1 3.36Å; R133-E137 PolarHBondContact NE-OE1 3.14Å; R133-E137 IonicContact NH2-OE1 2.76Å; R133-E137 PolarHBondContact NH2-OE1 3.35Å; R133-E137 WeakPolarHBondContact O-CG 3.41Å; R133-E137 PolarHBondContact O-N 3.47Å |
| 134 | S | 98.3 | Very high | 98 | Very high | 44 Ų | 44 | 96.2 Ų | 96.2 | 31% | 0.308 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -31.9 | 177.4 | -178.7 | 0 | 0 | 0 | 0 | 112.9 | K130 T131 V132 K138 | K130-S134 WeakPolarHBondContact O-CB 3.36Å; K130-S134 PolarHBondContact O-N 3.07Å; T131-S134 PolarHBondContact O-N 2.99Å; V132-S134 PolarHBondContact O-N 2.99Å; S134-K138 WeakPolarHBondContact O-CD 3.35Å; S134-K138 VanDerWaalsContact O-CE 3.24Å; S134-K138 WeakPolarHBondContact O-CE 3.4Å; S134-K138 VanDerWaalsContact O-CG 3.25Å; S134-K138 WeakPolarHBondContact O-CG 3.4Å; S134-K138 PolarHBondContact O-N 3.32Å; S134-K138 WeakPolarHBondContact OG-CE 3.35Å; S134-K138 PolarHBondContact OG-NZ 3.49Å |
| 135 | N | 98.3 | Very high | 97.9 | Very high | 74 Ų | 74 | 97.5 Ų | 97.5 | 40% | 0.396 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -77.4 | -35.1 | 176 | -68.2 | -20.7 | 0 | 0 | 0 | 112.5 | T131 V132 R133 K138 Q139 | T131-N135 PolarHBondContact O-N 2.85Å; T131-N135 VanDerWaalsContact O-N 3.07Å; T131-N135 PolarHBondContact O-ND2 3.19Å; V132-N135 PolarHBondContact O-N 3.43Å; V132-N135 VanDerWaalsContact O-N 3.13Å; R133-N135 PolarHBondContact O-N 3.22Å; N135-K138 PolarHBondContact O-N 2.82Å; N135-K138 PolarHBondContact OD1-NZ 3.4Å; N135-Q139 WeakPolarHBondContact O-CG 3.39Å; N135-Q139 PolarHBondContact O-N 2.72Å |
| 136 | L | 98.1 | Very high | 97.7 | Very high | 106 Ų | 106 | 99.2 Ų | 99.2 | 56% | 0.555 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65 | -43.4 | 171.6 | -163.9 | 163.8 | 0 | 0 | 0 | 110.7 | V132 R133 K138 Q139 A140 | V132-L136 PolarHBondContact O-N 2.91Å; R133-L136 WeakPolarHBondContact O-CB 3.37Å; R133-L136 PolarHBondContact O-N 2.94Å; R133-L136 VanDerWaalsContact O-N 3.12Å; L136-K138 VanDerWaalsContact C-N 3.3Å; L136-K138 PolarHBondContact O-N 2.85Å; L136-Q139 WeakPolarHBondContact O-CB 3.34Å; L136-Q139 PolarHBondContact O-N 2.97Å; L136-Q139 VanDerWaalsContact O-N 3.08Å; L136-A140 PolarHBondContact O-N 2.85Å |
| 137 | E | 97.9 | Very high | 97.5 | Very high | 94 Ų | 94 | 101.8 Ų | 101.8 | 44% | 0.439 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.1 | -38.5 | 174.4 | -72.3 | 166.5 | 167.2 | 0 | 0 | 111.9 | R133 G141 | R133-E137 HydrophobicContact CG-CG 4.4Å; R133-E137 IonicContact CZ-OE1 3.54Å; R133-E137 IonicContact NE-OE1 3.36Å; R133-E137 PolarHBondContact NE-OE1 3.14Å; R133-E137 IonicContact NH2-OE1 2.76Å; R133-E137 PolarHBondContact NH2-OE1 3.35Å; R133-E137 WeakPolarHBondContact O-CG 3.41Å; R133-E137 PolarHBondContact O-N 3.47Å; E137-G141 PolarHBondContact O-N 2.87Å |
| 138 | K | 97.9 | Very high | 97.3 | Very high | 111 Ų | 111 | 101.3 Ų | 101.3 | 48% | 0.483 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.5 | -41.6 | 171.9 | -68.5 | 161.4 | -153.2 | 156.8 | 0 | 112.4 | S134 N135 L136 G141 Q142 | S134-K138 WeakPolarHBondContact O-CD 3.35Å; S134-K138 VanDerWaalsContact O-CE 3.24Å; S134-K138 WeakPolarHBondContact O-CE 3.4Å; S134-K138 VanDerWaalsContact O-CG 3.25Å; S134-K138 WeakPolarHBondContact O-CG 3.4Å; S134-K138 PolarHBondContact O-N 3.32Å; S134-K138 WeakPolarHBondContact OG-CE 3.35Å; S134-K138 PolarHBondContact OG-NZ 3.49Å; N135-K138 PolarHBondContact O-N 2.82Å; N135-K138 PolarHBondContact OD1-NZ 3.4Å; L136-K138 VanDerWaalsContact C-N 3.3Å; L136-K138 PolarHBondContact O-N 2.85Å; K138-G141 CarbonylContact O-C 3.53Å; K138-G141 PolarHBondContact O-N 3.23Å; K138-Q142 WeakPolarHBondContact O-CG 3.41Å; K138-Q142 PolarHBondContact O-N 3.18Å |
| 139 | Q | 97.9 | Very high | 96.9 | Very high | 115 Ų | 115 | 100.4 Ų | 100.4 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 177 | -75 | 174.7 | -12.2 | 0 | 0 | 111.4 | N135 L136 G141 Q142 I143 | N135-Q139 WeakPolarHBondContact O-CG 3.39Å; N135-Q139 PolarHBondContact O-N 2.72Å; L136-Q139 WeakPolarHBondContact O-CB 3.34Å; L136-Q139 PolarHBondContact O-N 2.97Å; L136-Q139 VanDerWaalsContact O-N 3.08Å; Q139-G141 VanDerWaalsContact C-N 3.28Å; Q139-G141 PolarHBondContact O-N 2.7Å; Q139-Q142 CarbonylContact O-C 3.53Å; Q139-Q142 WeakPolarHBondContact O-CA 3.44Å; Q139-Q142 WeakPolarHBondContact O-CB 3.42Å; Q139-Q142 PolarHBondContact O-N 2.9Å; Q139-I143 WeakPolarHBondContact O-CG1 3.32Å; Q139-I143 PolarHBondContact O-N 2.8Å |
| 140 | A | 97.4 | Very high | 96.4 | Very high | 50 Ų | 50 | 101.9 Ų | 101.9 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.3 | -40.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L136 Q142 I143 K144 | L136-A140 PolarHBondContact O-N 2.85Å; A140-Q142 VanDerWaalsContact C-N 3.3Å; A140-Q142 PolarHBondContact O-N 2.89Å; A140-I143 PolarHBondContact O-N 3.12Å; A140-K144 WeakPolarHBondContact O-CB 3.27Å; A140-K144 PolarHBondContact O-N 2.61Å |
| 141 | G | 97.4 | Very high | 96 | Very high | 36 Ų | 36 | 101.5 Ų | 101.5 | 37% | 0.371 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.5 | -22.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | E137 K138 Q139 K145 | E137-G141 PolarHBondContact O-N 2.87Å; K138-G141 CarbonylContact O-C 3.53Å; K138-G141 PolarHBondContact O-N 3.23Å; Q139-G141 VanDerWaalsContact C-N 3.28Å; Q139-G141 PolarHBondContact O-N 2.7Å; G141-K145 WeakPolarHBondContact O-CG 3.29Å |
| 142 | Q | 96.9 | Very high | 95.5 | Very high | 122 Ų | 122 | 101.9 Ų | 101.9 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -82.5 | -45.6 | 171.5 | -73.9 | 172.2 | -13.9 | 0 | 0 | 111.2 | K138 Q139 A140 K144 K145 L146 | K138-Q142 WeakPolarHBondContact O-CG 3.41Å; K138-Q142 PolarHBondContact O-N 3.18Å; Q139-Q142 CarbonylContact O-C 3.53Å; Q139-Q142 WeakPolarHBondContact O-CA 3.44Å; Q139-Q142 WeakPolarHBondContact O-CB 3.42Å; Q139-Q142 PolarHBondContact O-N 2.9Å; A140-Q142 VanDerWaalsContact C-N 3.3Å; A140-Q142 PolarHBondContact O-N 2.89Å; Q142-K144 VanDerWaalsContact C-N 3.34Å; Q142-K144 PolarHBondContact O-N 3.49Å; Q142-K145 WeakPolarHBondContact O-CB 3.23Å; Q142-K145 PolarHBondContact O-N 2.94Å; Q142-L146 PolarHBondContact O-N 2.61Å |
| 143 | I | 96.7 | Very high | 94.8 | Very high | 89 Ų | 89 | 101 Ų | 101 | 46% | 0.456 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.4 | -49.7 | 174.9 | -69.1 | 163.8 | 0 | 0 | 0 | 109.8 | Q139 A140 K145 L146 E147 | Q139-I143 WeakPolarHBondContact O-CG1 3.32Å; Q139-I143 PolarHBondContact O-N 2.8Å; A140-I143 PolarHBondContact O-N 3.12Å; I143-K145 PolarHBondContact O-N 3.43Å; I143-K145 VanDerWaalsContact O-N 3.12Å; I143-L146 CarbonylContact O-C 3.58Å; I143-L146 WeakPolarHBondContact O-CA 3.43Å; I143-L146 WeakPolarHBondContact O-CB 3.28Å; I143-L146 PolarHBondContact O-N 2.96Å; I143-E147 HydrophobicContact CG2-CG 4.16Å; I143-E147 WeakPolarHBondContact CG2-OE1 3.3Å; I143-E147 WeakPolarHBondContact O-CG 3.36Å; I143-E147 PolarHBondContact O-N 2.72Å |
| 144 | K | 97.3 | Very high | 94 | Very high | 152 Ų | 152 | 96.9 Ų | 96.9 | 66% | 0.661 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60 | -25.8 | 177.2 | -169.5 | 167.6 | -175.7 | 171 | 0 | 114.7 | A140 Q142 E147 S148 | A140-K144 WeakPolarHBondContact O-CB 3.27Å; A140-K144 PolarHBondContact O-N 2.61Å; Q142-K144 VanDerWaalsContact C-N 3.34Å; Q142-K144 PolarHBondContact O-N 3.49Å; K144-E147 WeakPolarHBondContact CA-OE2 3.45Å; K144-S148 VanDerWaalsContact O-CB 3.3Å; K144-S148 WeakPolarHBondContact O-CB 3.38Å; K144-S148 PolarHBondContact O-N 3.34Å; K144-S148 VanDerWaalsContact O-N 3.15Å |
| 145 | K | 96.4 | Very high | 93.4 | Very high | 160 Ų | 160 | 101.4 Ų | 101.4 | 70% | 0.696 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -77.8 | -36.4 | 172.1 | -72.8 | 173.5 | -179.8 | -176.9 | 0 | 112.1 | G141 Q142 I143 N149 | G141-K145 WeakPolarHBondContact O-CG 3.29Å; Q142-K145 WeakPolarHBondContact O-CB 3.23Å; Q142-K145 PolarHBondContact O-N 2.94Å; I143-K145 PolarHBondContact O-N 3.43Å; I143-K145 VanDerWaalsContact O-N 3.12Å; K145-N149 WeakPolarHBondContact O-CB 3.25Å; K145-N149 PolarHBondContact O-N 3.03Å; K145-N149 VanDerWaalsContact O-N 3.08Å |
| 146 | L | 94.7 | Very high | 92.7 | Very high | 121 Ų | 121 | 105.1 Ų | 105.1 | 63% | 0.634 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.1 | -49.2 | 173.7 | -65.1 | 171.3 | 0 | 0 | 0 | 110.7 | Q142 I143 S148 N149 E150 | Q142-L146 PolarHBondContact O-N 2.61Å; I143-L146 CarbonylContact O-C 3.58Å; I143-L146 WeakPolarHBondContact O-CA 3.43Å; I143-L146 WeakPolarHBondContact O-CB 3.28Å; I143-L146 PolarHBondContact O-N 2.96Å; L146-S148 VanDerWaalsContact C-N 3.31Å; L146-S148 PolarHBondContact O-N 3.15Å; L146-N149 PolarHBondContact O-N 3Å; L146-E150 WeakPolarHBondContact O-CB 3.43Å; L146-E150 PolarHBondContact O-N 3.28Å |
| 147 | E | 93.2 | Very high | 91.2 | Very high | 107 Ų | 107 | 110.5 Ų | 110.5 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -53.3 | -46.3 | 173.2 | -68 | 169.1 | 170 | 0 | 0 | 111.7 | I143 K144 N149 E150 H151 | I143-E147 HydrophobicContact CG2-CG 4.16Å; I143-E147 WeakPolarHBondContact CG2-OE1 3.3Å; I143-E147 WeakPolarHBondContact O-CG 3.36Å; I143-E147 PolarHBondContact O-N 2.72Å; K144-E147 WeakPolarHBondContact CA-OE2 3.45Å; E147-N149 VanDerWaalsContact C-N 3.3Å; E147-N149 PolarHBondContact O-N 2.99Å; E147-E150 PolarHBondContact O-N 3.44Å; E147-H151 WeakPolarHBondContact O-CB 3.43Å; E147-H151 PolarHBondContact O-N 3.46Å |
| 148 | S | 94.2 | Very high | 89.5 | Confident | 78 Ų | 78 | 113.6 Ų | 113.6 | 55% | 0.545 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.1 | -32.6 | 177.9 | -174.8 | 0 | 0 | 0 | 0 | 112.9 | K144 L146 E152 | K144-S148 VanDerWaalsContact O-CB 3.3Å; K144-S148 WeakPolarHBondContact O-CB 3.38Å; K144-S148 PolarHBondContact O-N 3.34Å; K144-S148 VanDerWaalsContact O-N 3.15Å; L146-S148 VanDerWaalsContact C-N 3.31Å; L146-S148 PolarHBondContact O-N 3.15Å; S148-E152 PolarHBondContact O-N 2.87Å |
| 149 | N | 90.7 | Very high | 87.9 | Confident | 82 Ų | 82 | 113 Ų | 113 | 44% | 0.439 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -78.6 | -40.4 | 178.1 | -174.5 | -112.6 | 0 | 0 | 0 | 111.5 | K145 L146 E147 E152 L153 | K145-N149 WeakPolarHBondContact O-CB 3.25Å; K145-N149 PolarHBondContact O-N 3.03Å; K145-N149 VanDerWaalsContact O-N 3.08Å; L146-N149 PolarHBondContact O-N 3Å; E147-N149 VanDerWaalsContact C-N 3.3Å; E147-N149 PolarHBondContact O-N 2.99Å; N149-E152 WeakPolarHBondContact O-CB 3.32Å; N149-E152 PolarHBondContact O-N 3.32Å; N149-L153 WeakPolarHBondContact O-CG 3.26Å; N149-L153 PolarHBondContact O-N 3.15Å |
| 150 | E | 87.8 | Confident | 86.5 | Confident | 120 Ų | 120 | 116.5 Ų | 116.5 | 56% | 0.561 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -57.4 | -49 | 172.2 | -170.4 | -166 | 150.6 | 0 | 0 | 110.8 | L146 E147 E152 L153 L154 | L146-E150 WeakPolarHBondContact O-CB 3.43Å; L146-E150 PolarHBondContact O-N 3.28Å; E147-E150 PolarHBondContact O-N 3.44Å; E150-E152 PolarHBondContact O-N 3.46Å; E150-L153 PolarHBondContact O-N 3.04Å; E150-L153 VanDerWaalsContact O-N 3.13Å; E150-L154 HydrophobicContact CG-CD1 3.94Å; E150-L154 HydrophobicContact CG-CG 4.42Å; E150-L154 WeakPolarHBondContact O-CB 3.27Å; E150-L154 VanDerWaalsContact O-CG 3.31Å; E150-L154 WeakPolarHBondContact O-CG 3.31Å; E150-L154 PolarHBondContact O-N 2.9Å |
| 151 | H | 89.6 | Confident | 85.3 | Confident | 137 Ų | 137 | 119 Ų | 119 | 63% | 0.634 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60 | -33.2 | 176.4 | -172 | 54.6 | 0 | 0 | 0 | 113.1 | E147 K155 | E147-H151 WeakPolarHBondContact O-CB 3.43Å; E147-H151 PolarHBondContact O-N 3.46Å; H151-K155 PolarHBondContact NE2-NZ 3.23Å; H151-K155 VanDerWaalsContact NE2-NZ 3.2Å; H151-K155 VanDerWaalsContact O-CB 3.32Å; H151-K155 WeakPolarHBondContact O-CB 3.47Å; H151-K155 VanDerWaalsContact O-CG 3.28Å; H151-K155 WeakPolarHBondContact O-CG 3.43Å; H151-K155 PolarHBondContact O-N 2.96Å |
| 152 | E | 87.1 | Confident | 83.8 | Confident | 81 Ų | 81 | 122 Ų | 122 | 38% | 0.379 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -72 | -40.7 | 175 | -163.2 | -172.7 | 173.3 | 0 | 0 | 112 | S148 N149 E150 K155 R156 | S148-E152 PolarHBondContact O-N 2.87Å; N149-E152 WeakPolarHBondContact O-CB 3.32Å; N149-E152 PolarHBondContact O-N 3.32Å; E150-E152 PolarHBondContact O-N 3.46Å; E152-K155 PolarHBondContact O-N 2.85Å; E152-R156 VanDerWaalsContact CD-NH1 3.26Å; E152-R156 PolarHBondContact O-N 3.32Å; E152-R156 VanDerWaalsContact O-N 3.13Å; E152-R156 IonicContact OE1-CZ 2.63Å; E152-R156 IonicContact OE1-NH1 2.7Å; E152-R156 PolarHBondContact OE1-NH1 2.65Å; E152-R156 IonicContact OE1-NH2 2.62Å; E152-R156 PolarHBondContact OE1-NH2 3.06Å |
| 153 | L | 84.4 | Confident | 82.7 | Confident | 76 Ų | 76 | 123.5 Ų | 123.5 | 40% | 0.398 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.8 | -45.9 | 174.9 | -69.2 | 169.3 | 0 | 0 | 0 | 111.6 | N149 E150 K155 R156 R157 | N149-L153 WeakPolarHBondContact O-CG 3.26Å; N149-L153 PolarHBondContact O-N 3.15Å; E150-L153 PolarHBondContact O-N 3.04Å; E150-L153 VanDerWaalsContact O-N 3.13Å; L153-K155 PolarHBondContact O-N 3.13Å; L153-R156 PolarHBondContact O-N 2.81Å; L153-R156 VanDerWaalsContact O-N 3.17Å; L153-R157 PolarHBondContact O-N 3.34Å |
| 154 | L | 82.4 | Confident | 80.7 | Confident | 79 Ų | 79 | 128.7 Ų | 128.7 | 41% | 0.414 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -56.7 | -47.1 | 174 | -74.9 | 165.8 | 0 | 0 | 0 | 111.2 | E150 R156 R157 F159 | E150-L154 HydrophobicContact CG-CD1 3.94Å; E150-L154 HydrophobicContact CG-CG 4.42Å; E150-L154 WeakPolarHBondContact O-CB 3.27Å; E150-L154 VanDerWaalsContact O-CG 3.31Å; E150-L154 WeakPolarHBondContact O-CG 3.31Å; E150-L154 PolarHBondContact O-N 2.9Å; L154-R156 VanDerWaalsContact C-N 3.31Å; L154-R156 PolarHBondContact O-N 2.85Å; L154-R157 PolarHBondContact O-N 3.34Å; L154-R157 VanDerWaalsContact O-N 3.11Å; L154-F159 HydrophobicContact CD2-CE1 3.85Å; L154-F159 HydrophobicContact CD2-CZ 3.63Å; L154-F159 HydrophobicContact CG-CE1 4.48Å; L154-F159 HydrophobicContact CG-CZ 4.48Å |
| 155 | K | 86.1 | Confident | 78.5 | Confident | 139 Ų | 139 | 128.5 Ų | 128.5 | 60% | 0.604 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60.4 | -35.2 | 176.1 | -85.2 | 172.9 | 169.5 | 171.6 | 0 | 113.6 | H151 E152 L153 R157 | H151-K155 PolarHBondContact NE2-NZ 3.23Å; H151-K155 VanDerWaalsContact NE2-NZ 3.2Å; H151-K155 VanDerWaalsContact O-CB 3.32Å; H151-K155 WeakPolarHBondContact O-CB 3.47Å; H151-K155 VanDerWaalsContact O-CG 3.28Å; H151-K155 WeakPolarHBondContact O-CG 3.43Å; H151-K155 PolarHBondContact O-N 2.96Å; E152-K155 PolarHBondContact O-N 2.85Å; L153-K155 PolarHBondContact O-N 3.13Å; K155-R157 VanDerWaalsContact C-N 3.29Å; K155-R157 PolarHBondContact O-N 3.17Å |
| 156 | R | 82.3 | Confident | 76.3 | Confident | 153 Ų | 153 | 128.4 Ų | 128.4 | 58% | 0.577 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -79.2 | -6.8 | 177.3 | -71.7 | -170.2 | -178.1 | 111.9 | 10.7 | 114.2 | E152 L153 L154 N158 | E152-R156 VanDerWaalsContact CD-NH1 3.26Å; E152-R156 PolarHBondContact O-N 3.32Å; E152-R156 VanDerWaalsContact O-N 3.13Å; E152-R156 IonicContact OE1-CZ 2.63Å; E152-R156 IonicContact OE1-NH1 2.7Å; E152-R156 PolarHBondContact OE1-NH1 2.65Å; E152-R156 IonicContact OE1-NH2 2.62Å; E152-R156 PolarHBondContact OE1-NH2 3.06Å; L153-R156 PolarHBondContact O-N 2.81Å; L153-R156 VanDerWaalsContact O-N 3.17Å; L154-R156 VanDerWaalsContact C-N 3.31Å; L154-R156 PolarHBondContact O-N 2.85Å; R156-N158 PolarHBondContact O-N 3.15Å |
| 157 | R | 66.3 | Low | 74.1 | Confident | 219 Ų | 219 | 129.6 Ų | 129.6 | 83% | 0.826 | 61% | 0.614 | S | S | * | * | trans | 54.5 | 1.8 | 174.4 | -68.4 | -173 | 167.1 | -171.2 | -5.3 | 117.5 | L153 L154 K155 | L153-R157 PolarHBondContact O-N 3.34Å; L154-R157 PolarHBondContact O-N 3.34Å; L154-R157 VanDerWaalsContact O-N 3.11Å; K155-R157 VanDerWaalsContact C-N 3.29Å; K155-R157 PolarHBondContact O-N 3.17Å | ||
| 158 | N | 63.7 | Low | 72.2 | Confident | 159 Ų | 159 | 130.7 Ų | 130.7 | 85% | 0.85 | 63% | 0.628 | S | S | * | * | trans | -117.5 | 51.8 | -170.8 | -67.8 | -21.5 | 0 | 0 | 0 | 111.7 | R156 | R156-N158 PolarHBondContact O-N 3.15Š| ||
| 159 | F | 64.4 | Low | 69.8 | Low | 97 Ų | 97 | 136.6 Ų | 136.6 | 43% | 0.425 | 64% | 0.644 | S | S | . | * | trans | -117.9 | 134.9 | 177.4 | 68.5 | -79.1 | 0 | 0 | 0 | 110.9 | L154 V161 | L154-F159 HydrophobicContact CD2-CE1 3.85Å; L154-F159 HydrophobicContact CD2-CZ 3.63Å; L154-F159 HydrophobicContact CG-CE1 4.48Å; L154-F159 HydrophobicContact CG-CZ 4.48Å; F159-V161 HydrophobicContact CD2-CG2 3.69Å; F159-V161 HydrophobicContact CE2-CG2 3.67Å | ||
| 160 | K | 68.7 | Low | 67.6 | Low | 190 Ų | 190 | 139 Ų | 139 | 83% | 0.826 | 66% | 0.662 | S | S | * | * | trans | -112.1 | 103.4 | 178.4 | -168.5 | 176.2 | -174.4 | 174.6 | 0 | 108.2 | L162 | K160-L162 HydrophobicContact CB-CD1 4.37Å; K160-L162 HydrophobicContact CD-CD1 4.36Å; K160-L162 HydrophobicContact CG-CD1 4.01Å; K160-L162 VanDerWaalsContact O-CD1 3.31Å; K160-L162 WeakPolarHBondContact O-CD1 3.39Å; K160-L162 PolarHBondContact O-N 3.43Å | ||
| 161 | V | 70.3 | Confident | 65.2 | Low | 102 Ų | 102 | 139.4 Ų | 139.4 | 62% | 0.618 | 68% | 0.675 | S | S | * | * | trans | -71.8 | 116.6 | 179.5 | -172.6 | 0 | 0 | 0 | 0 | 109 | F159 I163 | F159-V161 HydrophobicContact CD2-CG2 3.69Å; F159-V161 HydrophobicContact CE2-CG2 3.67Å; V161-I163 HydrophobicContact CG1-CG1 3.85Å | ||
| 162 | L | 67.9 | Low | 63 | Low | 100 Ų | 100 | 142.7 Ų | 142.7 | 52% | 0.524 | 69% | 0.687 | S | S | . | * | trans | -99.8 | 96.3 | 170 | -82.4 | 75.8 | 0 | 0 | 0 | 108.7 | K160 Y164 | K160-L162 HydrophobicContact CB-CD1 4.37Å; K160-L162 HydrophobicContact CD-CD1 4.36Å; K160-L162 HydrophobicContact CG-CD1 4.01Å; K160-L162 VanDerWaalsContact O-CD1 3.31Å; K160-L162 WeakPolarHBondContact O-CD1 3.39Å; K160-L162 PolarHBondContact O-N 3.43Å; L162-Y164 HydrophobicContact CB-CD2 4.09Å; L162-Y164 HydrophobicContact CB-CE2 3.62Å; L162-Y164 HydrophobicContact CD2-CE2 4.06Å; L162-Y164 WeakPolarHBondContact CD2-OH 3.34Å; L162-Y164 WeakPolarHBondContact O-CD2 3.4Å; L162-Y164 PolarHBondContact O-N 3.42Å; L162-Y164 VanDerWaalsContact O-N 3.15Å | ||
| 163 | I | 73.6 | Confident | 61.4 | Low | 153 Ų | 153 | 146 Ų | 146 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | trans | -76.6 | 97.7 | 171.1 | -54.9 | -179.1 | 0 | 0 | 0 | 107.8 | V161 Q165 | V161-I163 HydrophobicContact CG1-CG1 3.85Å; I163-Q165 PolarHBondContact O-N 3.02Å | ||
| 164 | Y | 53.6 | Low | 59 | Low | 197 Ų | 197 | 148.2 Ų | 148.2 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | trans | -76.2 | 85.2 | 176.2 | -74.4 | -83.9 | 0 | 0 | 0 | 111 | L162 D166 | L162-Y164 HydrophobicContact CB-CD2 4.09Å; L162-Y164 HydrophobicContact CB-CE2 3.62Å; L162-Y164 HydrophobicContact CD2-CE2 4.06Å; L162-Y164 WeakPolarHBondContact CD2-OH 3.34Å; L162-Y164 WeakPolarHBondContact O-CD2 3.4Å; L162-Y164 PolarHBondContact O-N 3.42Å; L162-Y164 VanDerWaalsContact O-N 3.15Å; Y164-D166 PolarHBondContact O-N 3Å | ||
| 165 | Q | 50.8 | Low | 56.9 | Low | 149 Ų | 149 | 151.5 Ų | 151.5 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | trans | -72.5 | 119.6 | 162 | -166.8 | 176.3 | 59.4 | 0 | 0 | 108.3 | I163 Q167 | I163-Q165 PolarHBondContact O-N 3.02Å; Q165-Q167 VanDerWaalsContact C-N 3.29Å; Q165-Q167 PolarHBondContact O-N 2.97Å | ||
| 166 | D | 49.9 | Very low | 55 | Low | 158 Ų | 158 | 149.9 Ų | 149.9 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | trans | -75.6 | 76.3 | -169.5 | -165.7 | 20.1 | 0 | 0 | 0 | 112.4 | Y164 V168 | Y164-D166 PolarHBondContact O-N 3Å; D166-V168 PolarHBondContact O-N 3.4Å | ||
| 167 | Q | 48.8 | Very low | 52.4 | Low | 146 Ų | 146 | 153.7 Ų | 153.7 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | trans | -72.8 | 107.1 | -179.8 | -71.6 | -76.4 | 9.6 | 0 | 0 | 110.7 | Q165 K169 | Q165-Q167 VanDerWaalsContact C-N 3.29Å; Q165-Q167 PolarHBondContact O-N 2.97Å; Q167-K169 PolarHBondContact O-N 3.49Å | ||
| 168 | V | 52.9 | Low | 50.4 | Low | 130 Ų | 130 | 149.3 Ų | 149.3 | 79% | 0.788 | 75% | 0.751 | S | S | * | * | trans | -60.3 | 119.7 | 177.2 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | D166 T170 | D166-V168 PolarHBondContact O-N 3.4Å; V168-T170 PolarHBondContact O-N 3.06Å | ||
| 169 | K | 43.8 | Very low | 48.7 | Very low | 202 Ų | 202 | 146 Ų | 146 | 88% | 0.878 | 75% | 0.745 | S | S | * | * | trans | -42.4 | 119.7 | -168.8 | -63.5 | 173.2 | -179.1 | 173.5 | 0 | 115.3 | Q167 | Q167-K169 PolarHBondContact O-N 3.49Š| ||
| 170 | T | 44.9 | Very low | 47.1 | Very low | 133 Ų | 133 | 149.5 Ų | 149.5 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | trans | -89.8 | 131.4 | 164.4 | 46.6 | 0 | 0 | 0 | 0 | 111.4 | V168 K172 | V168-T170 PolarHBondContact O-N 3.06Å; T170-K172 PolarHBondContact O-N 3.43Å | ||
| 171 | P | 38.6 | Very low | 45.1 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | trans | -84 | 106.6 | 177 | -13.7 | 30.8 | 0 | 0 | 0 | 113.7 | ||||
| 172 | K | 41.7 | Very low | 43.1 | Very low | 206 Ų | 206 | 145.5 Ų | 145.5 | 90% | 0.896 | 76% | 0.764 | S | S | * | * | trans | 42.9 | 140 | 150.4 | -66.3 | -169.6 | 174.9 | -174.1 | 0 | 122.1 | T170 | T170-K172 PolarHBondContact O-N 3.43Š| ||
| 173 | E | 53.9 | Low | 41.2 | Very low | 150 Ų | 150 | 149 Ų | 149 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | -67.2 | 159.7 | 179.3 | -43.1 | 173.7 | 138.8 | 0 | 0 | 116 | K175 | E173-K175 IonicContact OE1-NZ 3.11Å; E173-K175 PolarHBondContact OE1-NZ 2.98Å; E173-K175 IonicContact OE2-NZ 2.61Å; E173-K175 PolarHBondContact OE2-NZ 3.41Å | ||
| 174 | S | 33.9 | Very low | 39 | Very low | 122 Ų | 122 | 146.8 Ų | 146.8 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | -133.1 | 115.5 | 137.6 | 57.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 175 | K | 39.7 | Very low | 37.8 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 65% | 0.648 | 78% | 0.778 | S | S | * | * | trans | -69.6 | 166.7 | 170.7 | -79.9 | -176.7 | 175.6 | 97.7 | 0 | 110.4 | E173 | E173-K175 IonicContact OE1-NZ 3.11Å; E173-K175 PolarHBondContact OE1-NZ 2.98Å; E173-K175 IonicContact OE2-NZ 2.61Å; E173-K175 PolarHBondContact OE2-NZ 3.41Å | ||
| 176 | P | 44.3 | Very low | 36.7 | Very low | 105 Ų | 105 | 143.3 Ų | 143.3 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | cis | -153.8 | 159.3 | 37.1 | 42.3 | -21.1 | 0 | 0 | 0 | 121.4 | ||||
| 177 | R | 27.9 | Very low | 35.7 | Very low | 233 Ų | 233 | 141.6 Ų | 141.6 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | trans | 62.9 | 157.7 | 149.5 | -68.3 | 172.4 | 174.6 | 168.6 | -2.9 | 116.4 | ||||
| 178 | T | 24.7 | Very low | 34.8 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | cis | -149.5 | 158.4 | 20.2 | -36 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 179 | A | 29.3 | Very low | 33.7 | Very low | 88 Ų | 88 | 140.3 Ų | 140.3 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 65.7 | 159 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 180 | E | 29.4 | Very low | 33.1 | Very low | 172 Ų | 172 | 137.7 Ų | 137.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | cis | -166.6 | 160.1 | -33 | -171.9 | 152.4 | -138.7 | 0 | 0 | 108.5 | ||||
| 181 | T | 26.1 | Very low | 32.3 | Very low | 123 Ų | 123 | 138 Ų | 138 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | 62.8 | 128.7 | 163.5 | 27 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 182 | A | 28.6 | Very low | 31.8 | Very low | 84 Ų | 84 | 138.6 Ų | 138.6 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | 43.4 | 147.4 | 115.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 183 | E | 27.8 | Very low | 31.9 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | cis | -166.1 | 151 | -7.6 | -119.6 | -177.2 | 176 | 0 | 0 | 109.9 | ||||
| 184 | S | 27.6 | Very low | 31 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | 64.4 | 172 | 166.3 | 81.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 185 | K | 29.6 | Very low | 31.3 | Very low | 191 Ų | 191 | 136.2 Ų | 136.2 | 83% | 0.83 | 74% | 0.744 | S | S | * | * | cis | -151.2 | -177.2 | 8.2 | -144.5 | 154.2 | -170.7 | 172.5 | 0 | 111.5 | ||||
| 186 | A | 26.6 | Very low | 31.1 | Very low | 82 Ų | 82 | 136 Ų | 136 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | trans | -24.4 | 134 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 187 | V | 29.3 | Very low | 30.3 | Very low | 123 Ų | 123 | 134 Ų | 134 | 75% | 0.745 | 75% | 0.748 | S | S | * | * | 85.5 | 138.1 | 58.6 | 166.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 188 | E | 30.2 | Very low | 30.4 | Very low | 186 Ų | 186 | 130.8 Ų | 130.8 | 87% | 0.869 | 74% | 0.743 | S | S | * | * | trans | 68.1 | 147.1 | -178.1 | -69.1 | 160.9 | 129.2 | 0 | 0 | 115.9 | ||||
| 189 | G | 30.5 | Very low | 30.7 | Very low | 62 Ų | 62 | 133.7 Ų | 133.7 | 64% | 0.639 | 75% | 0.748 | S | S | * | * | cis | -134.4 | 169.4 | -5.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 190 | L | 30.9 | Very low | 30.7 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | 58 | 126.8 | 78.1 | -55.1 | 166.6 | 0 | 0 | 0 | 112.4 | |||||
| 191 | E | 27 | Very low | 30.9 | Very low | 140 Ų | 140 | 130.6 Ų | 130.6 | 65% | 0.654 | 75% | 0.747 | S | S | * | * | cis | -160.3 | -175.7 | -4 | -115 | 174.9 | 110.1 | 0 | 0 | 107 | ||||
| 192 | Q | 28.5 | Very low | 31.3 | Very low | 139 Ų | 139 | 132.9 Ų | 132.9 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | cis | -152.8 | 150.8 | 7.6 | -126.9 | 157.9 | 34.7 | 0 | 0 | 108.3 | ||||
| 193 | I | 44.1 | Very low | 31.6 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | 35.5 | 115.3 | 104.5 | -42.7 | 179.5 | 0 | 0 | 0 | 115.1 | E195 | I193-E195 HydrophobicContact CG2-CB 4.27Š| |||
| 194 | P | 34.4 | Very low | 31.7 | Very low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | -128.6 | 147.2 | 101.1 | 10.1 | 11.2 | 0 | 0 | 0 | 111.1 | |||||
| 195 | E | 40.8 | Very low | 32.4 | Very low | 183 Ų | 183 | 137.4 Ų | 137.4 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | cis | 22.7 | 95.8 | 26.8 | -166.4 | 161.2 | -137.5 | 0 | 0 | 116 | I193 | I193-E195 HydrophobicContact CG2-CB 4.27Š| ||
| 196 | D | 35.9 | Very low | 32.4 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -148.5 | 155.2 | 138.3 | -143.9 | -38.1 | 0 | 0 | 0 | 111.3 | Q198 | D196-Q198 PolarHBondContact OD1-N 3.16Š| ||
| 197 | G | 27.9 | Very low | 32.8 | Very low | 62 Ų | 62 | 136.6 Ų | 136.6 | 64% | 0.639 | 75% | 0.751 | S | S | * | * | trans | -152.1 | 6.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 198 | Q | 29 | Very low | 33.5 | Very low | 167 Ų | 167 | 138.3 Ų | 138.3 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -159.3 | 108.8 | 163.6 | -121.8 | 136.9 | 89 | 0 | 0 | 116.6 | D196 | D196-Q198 PolarHBondContact OD1-N 3.16Š|
| 199 | E | 32.2 | Very low | 34 | Very low | 187 Ų | 187 | 137.9 Ų | 137.9 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | trans | 63 | 101.2 | 133 | -161.8 | 157.8 | -132.7 | 0 | 0 | 120 | ||||
| 200 | G | 28.6 | Very low | 34.4 | Very low | 76 Ų | 76 | 143.6 Ų | 143.6 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | trans | -160.4 | 24.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 201 | V | 32.6 | Very low | 35.3 | Very low | 120 Ų | 120 | 144.8 Ų | 144.8 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 39.4 | 131 | 154 | 176.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 202 | K | 34.4 | Very low | 36.4 | Very low | 171 Ų | 171 | 146.1 Ų | 146.1 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | 88.8 | 117.6 | 171 | -72.6 | 155.4 | -176.7 | 175.5 | 0 | 116.3 | ||||
| 203 | E | 35.1 | Very low | 37.2 | Very low | 159 Ų | 159 | 144.5 Ų | 144.5 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | 81.7 | 95.6 | 61.8 | -74.3 | 176.9 | 179.5 | 0 | 0 | 113.9 | |||||
| 204 | N | 30.8 | Very low | 37.3 | Very low | 145 Ų | 145 | 144.4 Ų | 144.4 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | -177.3 | 152.7 | 103 | -100.1 | -76.1 | 0 | 0 | 0 | 115.3 | |||||
| 205 | L | 41.7 | Very low | 37.9 | Very low | 155 Ų | 155 | 146.7 Ų | 146.7 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | trans | -48.8 | 151.5 | 173.3 | -48.4 | 163.9 | 0 | 0 | 0 | 112.8 | ||||
| 206 | N | 30.2 | Very low | 38.3 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | 172.6 | 174.1 | 66 | -170.5 | 28.6 | 0 | 0 | 0 | 111.6 | |||||
| 207 | S | 34.5 | Very low | 39 | Very low | 101 Ų | 101 | 141.1 Ų | 141.1 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | 68.2 | 123 | 178.4 | -98.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 208 | D | 43.5 | Very low | 40.2 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | cis | 99.9 | 149.9 | 28.1 | -163.5 | 26 | 0 | 0 | 0 | 113.5 | ||||
| 209 | E | 40.5 | Very low | 41.3 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | trans | 87.1 | 149.1 | -175.1 | -149 | 151.1 | -142.6 | 0 | 0 | 118.1 | ||||
| 210 | E | 40.9 | Very low | 42.7 | Very low | 181 Ų | 181 | 135.6 Ų | 135.6 | 85% | 0.846 | 71% | 0.714 | S | S | * | * | trans | 61.4 | 58.9 | -179.5 | -62.4 | -153.5 | 129.7 | 0 | 0 | 120.8 | ||||
| 211 | I | 48.6 | Very low | 44.1 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 89% | 0.887 | 70% | 0.704 | S | S | * | * | trans | -97.9 | 90.4 | 157.6 | -55 | 175.4 | 0 | 0 | 0 | 110.3 | ||||
| 212 | E | 49.3 | Very low | 45.5 | Very low | 169 Ų | 169 | 136.6 Ų | 136.6 | 79% | 0.79 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -155.2 | -25.1 | 166.9 | -130.5 | 176.1 | -141.9 | 0 | 0 | 114.6 | ||
| 213 | V | 45.7 | Very low | 46.9 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 63% | 0.63 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -78.7 | -23.1 | -176.3 | -174.7 | 0 | 0 | 0 | 0 | 113.4 | I217 | V213-I217 HydrophobicContact CG1-CD1 4.4Š|
| 214 | E | 46.4 | Very low | 48.4 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 61% | 0.612 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -80 | -35 | -168.5 | -163.5 | 152.8 | -134.8 | 0 | 0 | 113.8 | I216 I217 E218 | E214-I216 VanDerWaalsContact C-N 3.32Å; E214-I216 PolarHBondContact O-N 2.8Å; E214-I217 PolarHBondContact O-N 3.26Å; E214-E218 HydrophobicContact CG-CG 4.19Å; E214-E218 WeakPolarHBondContact O-CG 3.39Å; E214-E218 PolarHBondContact O-N 3.12Å |
| 215 | E | 46.6 | Very low | 50.1 | Low | 161 Ų | 161 | 132.6 Ų | 132.6 | 75% | 0.752 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -58.4 | -40.3 | -176.1 | -169.3 | 176.4 | -160 | 0 | 0 | 112.5 | I217 E218 E219 | E215-I217 VanDerWaalsContact C-N 3.29Å; E215-I217 PolarHBondContact O-N 2.99Å; E215-E218 PolarHBondContact O-N 3.38Å; E215-E219 PolarHBondContact O-N 2.84Å; E215-E219 VanDerWaalsContact O-N 3.09Å |
| 216 | I | 49.6 | Very low | 51.6 | Low | 134 Ų | 134 | 131.5 Ų | 131.5 | 69% | 0.687 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.9 | -31.7 | 178.6 | -56.5 | 176 | 0 | 0 | 0 | 111.4 | E214 | E214-I216 VanDerWaalsContact C-N 3.32Å; E214-I216 PolarHBondContact O-N 2.8Å |
| 217 | I | 51.5 | Low | 53.5 | Low | 76 Ų | 76 | 132.6 Ų | 132.6 | 39% | 0.39 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -80.5 | -40.2 | -179.1 | -60 | 175.7 | 0 | 0 | 0 | 110.3 | V213 E214 E215 S220 R221 | V213-I217 HydrophobicContact CG1-CD1 4.4Å; E214-I217 PolarHBondContact O-N 3.26Å; E215-I217 VanDerWaalsContact C-N 3.29Å; E215-I217 PolarHBondContact O-N 2.99Å; I217-S220 PolarHBondContact O-N 3.4Å; I217-R221 WeakPolarHBondContact O-CG 3.39Å; I217-R221 PolarHBondContact O-N 2.9Å |
| 218 | E | 52.1 | Low | 55.2 | Low | 109 Ų | 109 | 130.5 Ų | 130.5 | 51% | 0.509 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -60.4 | -43.4 | 174.3 | -69.6 | -126.2 | 105.1 | 0 | 0 | 112.4 | E214 E215 S220 R221 T222 | E214-E218 HydrophobicContact CG-CG 4.19Å; E214-E218 WeakPolarHBondContact O-CG 3.39Å; E214-E218 PolarHBondContact O-N 3.12Å; E215-E218 PolarHBondContact O-N 3.38Å; E218-S220 PolarHBondContact O-N 3.38Å; E218-R221 PolarHBondContact O-N 2.79Å; E218-T222 WeakPolarHBondContact O-CG2 3.48Å; E218-T222 PolarHBondContact O-N 3.23Å; E218-T222 PolarHBondContact O-OG1 3.34Å |
| 219 | E | 52.3 | Low | 56.6 | Low | 108 Ų | 108 | 125.9 Ų | 125.9 | 51% | 0.505 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.9 | -32.5 | 179.8 | -144.6 | -138 | -172.2 | 0 | 0 | 112.1 | E215 T222 K223 | E215-E219 PolarHBondContact O-N 2.84Å; E215-E219 VanDerWaalsContact O-N 3.09Å; E219-T222 WeakPolarHBondContact CA-OG1 3.32Å; E219-T222 PolarHBondContact O-OG1 3.03Å; E219-T222 VanDerWaalsContact O-OG1 3.09Å; E219-K223 VanDerWaalsContact O-CB 3.32Å; E219-K223 WeakPolarHBondContact O-CB 3.29Å; E219-K223 WeakPolarHBondContact O-CD 3.35Å; E219-K223 WeakPolarHBondContact O-CG 3.47Å; E219-K223 PolarHBondContact O-N 2.93Å; E219-K223 WeakPolarHBondContact OE1-CE 3.34Å; E219-K223 IonicContact OE1-NZ 2.7Å; E219-K223 PolarHBondContact OE1-NZ 2.87Å; E219-K223 WeakPolarHBondContact OE2-CE 3.38Å; E219-K223 IonicContact OE2-NZ 2.66Å; E219-K223 PolarHBondContact OE2-NZ 3.47Å |
| 220 | S | 61 | Low | 58.3 | Low | 83 Ų | 83 | 124.2 Ų | 124.2 | 58% | 0.58 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -75.5 | -42.8 | 174.9 | -169.4 | 0 | 0 | 0 | 0 | 112.5 | I217 E218 K223 R224 | I217-S220 PolarHBondContact O-N 3.4Å; E218-S220 PolarHBondContact O-N 3.38Å; S220-K223 PolarHBondContact O-N 2.91Å; S220-R224 PolarHBondContact O-N 3.46Å |
| 221 | R | 59.6 | Low | 60.1 | Low | 153 Ų | 153 | 121.7 Ų | 121.7 | 58% | 0.577 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.4 | -46.8 | 176.6 | -72.3 | 172.1 | 178.5 | 170.4 | 2.6 | 111.5 | I217 E218 R224 L225 | I217-R221 WeakPolarHBondContact O-CG 3.39Å; I217-R221 PolarHBondContact O-N 2.9Å; E218-R221 PolarHBondContact O-N 2.79Å; R221-R224 WeakPolarHBondContact O-CB 3.47Å; R221-R224 PolarHBondContact O-N 2.97Å; R221-L225 PolarHBondContact O-N 3.35Å |
| 222 | T | 61.8 | Low | 61.5 | Low | 64 Ų | 64 | 118.9 Ų | 118.9 | 39% | 0.393 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.8 | -44.3 | 178.4 | 53.1 | 0 | 0 | 0 | 0 | 112.2 | E218 E219 R224 L225 Q226 | E218-T222 WeakPolarHBondContact O-CG2 3.48Å; E218-T222 PolarHBondContact O-N 3.23Å; E218-T222 PolarHBondContact O-OG1 3.34Å; E219-T222 WeakPolarHBondContact CA-OG1 3.32Å; E219-T222 PolarHBondContact O-OG1 3.03Å; E219-T222 VanDerWaalsContact O-OG1 3.09Å; T222-R224 VanDerWaalsContact C-N 3.26Å; T222-R224 PolarHBondContact O-N 3.38Å; T222-L225 PolarHBondContact O-N 3.45Å; T222-L225 VanDerWaalsContact O-N 3.16Å; T222-Q226 WeakPolarHBondContact O-CG 3.38Å; T222-Q226 PolarHBondContact O-N 2.88Å |
| 223 | K | 64 | Low | 63 | Low | 89 Ų | 89 | 114 Ų | 114 | 39% | 0.387 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.9 | -22.2 | 175.2 | -73.1 | 173.1 | -175.9 | 176.7 | 0 | 113.9 | E219 S220 R227 | E219-K223 VanDerWaalsContact O-CB 3.32Å; E219-K223 WeakPolarHBondContact O-CB 3.29Å; E219-K223 WeakPolarHBondContact O-CD 3.35Å; E219-K223 WeakPolarHBondContact O-CG 3.47Å; E219-K223 PolarHBondContact O-N 2.93Å; E219-K223 WeakPolarHBondContact OE1-CE 3.34Å; E219-K223 IonicContact OE1-NZ 2.7Å; E219-K223 PolarHBondContact OE1-NZ 2.87Å; E219-K223 WeakPolarHBondContact OE2-CE 3.38Å; E219-K223 IonicContact OE2-NZ 2.66Å; E219-K223 PolarHBondContact OE2-NZ 3.47Å; S220-K223 PolarHBondContact O-N 2.91Å; K223-R227 PolarHBondContact O-NH1 3.44Å |
| 224 | R | 65.1 | Low | 64.6 | Low | 195 Ų | 195 | 112.3 Ų | 112.3 | 74% | 0.736 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -76.4 | -47.8 | 168.3 | -177.2 | 176.8 | 177.1 | 175.7 | -1.6 | 110.9 | S220 R221 T222 Q226 R227 T228 | S220-R224 PolarHBondContact O-N 3.46Å; R221-R224 WeakPolarHBondContact O-CB 3.47Å; R221-R224 PolarHBondContact O-N 2.97Å; T222-R224 VanDerWaalsContact C-N 3.26Å; T222-R224 PolarHBondContact O-N 3.38Å; R224-Q226 PolarHBondContact O-N 3.26Å; R224-R227 PolarHBondContact O-N 3.07Å; R224-T228 PolarHBondContact O-N 3.12Å; R224-T228 VanDerWaalsContact O-N 3.13Å; R224-T228 PolarHBondContact O-OG1 2.76Å |
| 225 | L | 67.2 | Low | 66.2 | Low | 108 Ų | 108 | 110.5 Ų | 110.5 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.5 | -44 | 179.2 | -173.8 | 64 | 0 | 0 | 0 | 112.3 | R221 T222 R227 T228 T229 | R221-L225 PolarHBondContact O-N 3.35Å; T222-L225 PolarHBondContact O-N 3.45Å; T222-L225 VanDerWaalsContact O-N 3.16Å; L225-R227 VanDerWaalsContact C-N 3.28Å; L225-R227 PolarHBondContact O-N 3.26Å; L225-T228 PolarHBondContact O-N 3Å; L225-T228 PolarHBondContact O-OG1 2.95Å; L225-T229 HydrophobicContact CD1-CG2 4.28Å; L225-T229 HydrophobicContact CG-CG2 4.37Å; L225-T229 WeakPolarHBondContact O-CG2 3.43Å; L225-T229 PolarHBondContact O-N 3.3Å; L225-T229 PolarHBondContact O-OG1 3.08Å; L225-T229 VanDerWaalsContact O-OG1 3.11Å |
| 226 | Q | 73.1 | Confident | 67.6 | Low | 131 Ų | 131 | 107.3 Ų | 107.3 | 61% | 0.612 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.9 | -32.7 | 177.1 | -71.4 | 179.5 | 12.1 | 0 | 0 | 113.4 | T222 R224 T229 K230 | T222-Q226 WeakPolarHBondContact O-CG 3.38Å; T222-Q226 PolarHBondContact O-N 2.88Å; R224-Q226 PolarHBondContact O-N 3.26Å; Q226-T229 WeakPolarHBondContact CA-OG1 3.49Å; Q226-T229 PolarHBondContact O-OG1 2.84Å; Q226-K230 VanDerWaalsContact O-CB 3.26Å; Q226-K230 WeakPolarHBondContact O-CB 3.39Å; Q226-K230 PolarHBondContact O-N 3.45Å; Q226-K230 VanDerWaalsContact O-N 3.13Å |
| 227 | R | 70 | Confident | 69 | Low | 178 Ų | 178 | 106.9 Ų | 106.9 | 67% | 0.672 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -71.5 | -42.6 | 174.7 | -74.1 | -178.2 | 177 | 93 | -11 | 111.3 | K223 R224 L225 Q231 | K223-R227 PolarHBondContact O-NH1 3.44Å; R224-R227 PolarHBondContact O-N 3.07Å; L225-R227 VanDerWaalsContact C-N 3.28Å; L225-R227 PolarHBondContact O-N 3.26Å; R227-Q231 WeakPolarHBondContact O-CB 3.49Å; R227-Q231 PolarHBondContact O-N 3.01Å |
| 228 | T | 70.4 | Confident | 70.4 | Confident | 56 Ų | 56 | 110.8 Ų | 110.8 | 34% | 0.344 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.4 | -40.8 | 178.8 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | R224 L225 Q231 Q232 | R224-T228 PolarHBondContact O-N 3.12Å; R224-T228 VanDerWaalsContact O-N 3.13Å; R224-T228 PolarHBondContact O-OG1 2.76Å; L225-T228 PolarHBondContact O-N 3Å; L225-T228 PolarHBondContact O-OG1 2.95Å; T228-Q231 PolarHBondContact O-N 3.18Å; T228-Q232 WeakPolarHBondContact O-CB 3.45Å; T228-Q232 VanDerWaalsContact O-CG 3.27Å; T228-Q232 WeakPolarHBondContact O-CG 3.44Å; T228-Q232 PolarHBondContact O-N 3.38Å |
| 229 | T | 73.2 | Confident | 71.2 | Confident | 62 Ų | 62 | 108.9 Ų | 108.9 | 38% | 0.38 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 175.5 | 56.6 | 0 | 0 | 0 | 0 | 111.8 | L225 Q226 Q231 Q232 V233 | L225-T229 HydrophobicContact CD1-CG2 4.28Å; L225-T229 HydrophobicContact CG-CG2 4.37Å; L225-T229 WeakPolarHBondContact O-CG2 3.43Å; L225-T229 PolarHBondContact O-N 3.3Å; L225-T229 PolarHBondContact O-OG1 3.08Å; L225-T229 VanDerWaalsContact O-OG1 3.11Å; Q226-T229 WeakPolarHBondContact CA-OG1 3.49Å; Q226-T229 PolarHBondContact O-OG1 2.84Å; T229-Q231 PolarHBondContact O-N 3.27Å; T229-Q232 PolarHBondContact O-N 3.47Å; T229-V233 WeakPolarHBondContact O-CB 3.4Å; T229-V233 VanDerWaalsContact O-CG2 3.3Å; T229-V233 WeakPolarHBondContact O-CG2 3.35Å; T229-V233 PolarHBondContact O-N 3.14Å |
| 230 | K | 76.6 | Confident | 72.1 | Confident | 143 Ų | 143 | 110.3 Ų | 110.3 | 62% | 0.622 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.1 | -46.5 | 172.6 | -174.4 | 174.5 | -178.3 | 176.8 | 0 | 111.9 | Q226 V233 D234 | Q226-K230 VanDerWaalsContact O-CB 3.26Å; Q226-K230 WeakPolarHBondContact O-CB 3.39Å; Q226-K230 PolarHBondContact O-N 3.45Å; Q226-K230 VanDerWaalsContact O-N 3.13Å; K230-V233 PolarHBondContact O-N 2.95Å; K230-D234 PolarHBondContact O-N 2.85Å |
| 231 | Q | 78.2 | Confident | 72.9 | Confident | 128 Ų | 128 | 108.5 Ų | 108.5 | 60% | 0.598 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.9 | -36.2 | 178.4 | -169.8 | 176.1 | 4.9 | 0 | 0 | 112.7 | R227 T228 T229 N235 | R227-Q231 WeakPolarHBondContact O-CB 3.49Å; R227-Q231 PolarHBondContact O-N 3.01Å; T228-Q231 PolarHBondContact O-N 3.18Å; T229-Q231 PolarHBondContact O-N 3.27Å; Q231-N235 WeakPolarHBondContact O-CB 3.33Å; Q231-N235 PolarHBondContact O-N 2.83Å; Q231-N235 PolarHBondContact O-ND2 3.43Å |
| 232 | Q | 77.4 | Confident | 73.7 | Confident | 115 Ų | 115 | 109.3 Ų | 109.3 | 54% | 0.537 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 171.2 | -75 | 172.6 | 3.9 | 0 | 0 | 111.2 | T228 T229 D234 N235 I236 | T228-Q232 WeakPolarHBondContact O-CB 3.45Å; T228-Q232 VanDerWaalsContact O-CG 3.27Å; T228-Q232 WeakPolarHBondContact O-CG 3.44Å; T228-Q232 PolarHBondContact O-N 3.38Å; T229-Q232 PolarHBondContact O-N 3.47Å; Q232-D234 VanDerWaalsContact C-N 3.31Å; Q232-D234 PolarHBondContact O-N 2.8Å; Q232-N235 PolarHBondContact O-N 3.48Å; Q232-I236 WeakPolarHBondContact O-CB 3.39Å; Q232-I236 VanDerWaalsContact O-CG1 3.23Å; Q232-I236 WeakPolarHBondContact O-CG1 3.49Å; Q232-I236 PolarHBondContact O-N 2.88Å |
| 233 | V | 80.8 | Confident | 74.5 | Confident | 66 Ų | 66 | 110.8 Ų | 110.8 | 40% | 0.4 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.1 | -40.2 | 176.6 | 163.6 | 0 | 0 | 0 | 0 | 111.6 | T229 K230 I236 K237 | T229-V233 WeakPolarHBondContact O-CB 3.4Å; T229-V233 VanDerWaalsContact O-CG2 3.3Å; T229-V233 WeakPolarHBondContact O-CG2 3.35Å; T229-V233 PolarHBondContact O-N 3.14Å; K230-V233 PolarHBondContact O-N 2.95Å; V233-I236 PolarHBondContact O-N 3.37Å; V233-K237 HydrophobicContact CG1-CD 4.41Å; V233-K237 VanDerWaalsContact CG1-CE 3.49Å; V233-K237 VanDerWaalsContact O-CG 3.32Å; V233-K237 WeakPolarHBondContact O-CG 3.29Å; V233-K237 PolarHBondContact O-N 2.92Å |
| 234 | D | 79.8 | Confident | 75.2 | Confident | 69 Ų | 69 | 112.2 Ų | 112.2 | 37% | 0.369 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -74.1 | -32.6 | 177.7 | -68 | -26 | 0 | 0 | 0 | 112.6 | K230 Q232 K237 K238 | K230-D234 PolarHBondContact O-N 2.85Å; Q232-D234 VanDerWaalsContact C-N 3.31Å; Q232-D234 PolarHBondContact O-N 2.8Å; D234-K237 IonicContact OD1-NZ 3.77Å; D234-K237 PolarHBondContact OD1-NZ 3.46Å; D234-K238 WeakPolarHBondContact O-CB 3.4Å; D234-K238 PolarHBondContact O-N 3.21Å |
| 235 | N | 79.3 | Confident | 75.8 | Confident | 93 Ų | 93 | 108 Ų | 108 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.7 | -38.8 | 167.8 | -79.2 | -30.2 | 0 | 0 | 0 | 112.3 | Q231 Q232 K238 A239 | Q231-N235 WeakPolarHBondContact O-CB 3.33Å; Q231-N235 PolarHBondContact O-N 2.83Å; Q231-N235 PolarHBondContact O-ND2 3.43Å; Q232-N235 PolarHBondContact O-N 3.48Å; N235-K238 WeakPolarHBondContact O-CB 3.28Å; N235-K238 PolarHBondContact O-N 3.47Å; N235-A239 PolarHBondContact O-N 3.11Å |
| 236 | I | 76.6 | Confident | 76.5 | Confident | 93 Ų | 93 | 108.3 Ų | 108.3 | 48% | 0.477 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.2 | -49.4 | 174.1 | -72.2 | 164.5 | 0 | 0 | 0 | 109.7 | Q232 V233 K238 A239 F240 | Q232-I236 WeakPolarHBondContact O-CB 3.39Å; Q232-I236 VanDerWaalsContact O-CG1 3.23Å; Q232-I236 WeakPolarHBondContact O-CG1 3.49Å; Q232-I236 PolarHBondContact O-N 2.88Å; V233-I236 PolarHBondContact O-N 3.37Å; I236-K238 PolarHBondContact O-N 3.33Å; I236-A239 PolarHBondContact O-N 3.25Å; I236-A239 VanDerWaalsContact O-N 3.12Å; I236-F240 HydrophobicContact CG2-CD2 3.74Å; I236-F240 HydrophobicContact CG2-CE2 4.09Å; I236-F240 WeakPolarHBondContact O-CD2 3.46Å; I236-F240 PolarHBondContact O-N 3.02Å |
| 237 | K | 79.9 | Confident | 77 | Confident | 126 Ų | 126 | 107.6 Ų | 107.6 | 55% | 0.548 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -56.1 | -35.5 | 173 | -70.7 | 169.6 | -165.1 | 157.7 | 0 | 112.6 | V233 D234 F240 S241 | V233-K237 HydrophobicContact CG1-CD 4.41Å; V233-K237 VanDerWaalsContact CG1-CE 3.49Å; V233-K237 VanDerWaalsContact O-CG 3.32Å; V233-K237 WeakPolarHBondContact O-CG 3.29Å; V233-K237 PolarHBondContact O-N 2.92Å; D234-K237 IonicContact OD1-NZ 3.77Å; D234-K237 PolarHBondContact OD1-NZ 3.46Å; K237-F240 CarbonylContact O-C 3.6Å; K237-S241 WeakPolarHBondContact O-CA 3.43Å; K237-S241 PolarHBondContact O-N 3.5Å |
| 238 | K | 79.9 | Confident | 77.6 | Confident | 157 Ų | 157 | 103.3 Ų | 103.3 | 68% | 0.683 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -72 | -37.4 | 177.5 | -167.5 | 174.7 | -176.4 | 177.2 | 0 | 112.5 | D234 N235 I236 S241 | D234-K238 WeakPolarHBondContact O-CB 3.4Å; D234-K238 PolarHBondContact O-N 3.21Å; N235-K238 WeakPolarHBondContact O-CB 3.28Å; N235-K238 PolarHBondContact O-N 3.47Å; I236-K238 PolarHBondContact O-N 3.33Å; K238-S241 WeakPolarHBondContact O-CB 3.47Å |
| 239 | A | 70.1 | Confident | 78.2 | Confident | 69 Ų | 69 | 107.1 Ų | 107.1 | 57% | 0.57 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.9 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N235 I236 S241 | N235-A239 PolarHBondContact O-N 3.11Å; I236-A239 PolarHBondContact O-N 3.25Å; I236-A239 VanDerWaalsContact O-N 3.12Å; A239-S241 VanDerWaalsContact C-N 3.25Å; A239-S241 PolarHBondContact O-N 2.99Å |
| 240 | F | 69.9 | Low | 78.8 | Confident | 138 Ų | 138 | 109.4 Ų | 109.4 | 61% | 0.605 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 15 | 175.3 | -69.5 | -78.9 | 0 | 0 | 0 | 113.7 | I236 K237 K242 M245 | I236-F240 HydrophobicContact CG2-CD2 3.74Å; I236-F240 HydrophobicContact CG2-CE2 4.09Å; I236-F240 WeakPolarHBondContact O-CD2 3.46Å; I236-F240 PolarHBondContact O-N 3.02Å; K237-F240 CarbonylContact O-C 3.6Å; F240-K242 PolarHBondContact O-N 2.89Å; F240-M245 HydrophobicContact CD1-CE 4.07Å |
| 241 | S | 78.4 | Confident | 79.3 | Confident | 45 Ų | 45 | 109.1 Ų | 109.1 | 32% | 0.315 | 53% | 0.532 | S | S | . | . | trans | -55.3 | 134.2 | 174.4 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | K237 K238 A239 E243 K244 M245 | K237-S241 WeakPolarHBondContact O-CA 3.43Å; K237-S241 PolarHBondContact O-N 3.5Å; K238-S241 WeakPolarHBondContact O-CB 3.47Å; A239-S241 VanDerWaalsContact C-N 3.25Å; A239-S241 PolarHBondContact O-N 2.99Å; S241-E243 PolarHBondContact O-N 2.9Å; S241-E243 VanDerWaalsContact O-N 3.12Å; S241-K244 WeakPolarHBondContact O-CB 3.34Å; S241-K244 PolarHBondContact O-N 3.1Å; S241-M245 PolarHBondContact O-N 2.84Å | ||
| 242 | K | 75.9 | Confident | 79.7 | Confident | 170 Ų | 170 | 107.3 Ų | 107.3 | 74% | 0.739 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -51 | -42.4 | -174.3 | -65.4 | -176 | 179.4 | -179 | 0 | 111.8 | F240 K244 M245 E246 | F240-K242 PolarHBondContact O-N 2.89Å; K242-K244 PolarHBondContact O-N 2.74Å; K242-M245 PolarHBondContact O-N 3.42Å; K242-E246 WeakPolarHBondContact O-CB 3.5Å; K242-E246 VanDerWaalsContact O-CG 3.29Å; K242-E246 WeakPolarHBondContact O-CG 3.31Å; K242-E246 PolarHBondContact O-N 3.23Å |
| 243 | E | 78.5 | Confident | 80.2 | Confident | 95 Ų | 95 | 108 Ų | 108 | 44% | 0.444 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.4 | -39.5 | 177.5 | -168.4 | -137.9 | 137.1 | 0 | 0 | 113.4 | S241 K247 | S241-E243 PolarHBondContact O-N 2.9Å; S241-E243 VanDerWaalsContact O-N 3.12Å; E243-K247 HydrophobicContact CG-CD 4.41Å; E243-K247 WeakPolarHBondContact O-CB 3.48Å; E243-K247 VanDerWaalsContact O-CG 3.28Å; E243-K247 WeakPolarHBondContact O-CG 3.38Å; E243-K247 PolarHBondContact O-N 2.85Å; E243-K247 WeakPolarHBondContact OE1-CE 3.41Å; E243-K247 IonicContact OE1-NZ 2.74Å; E243-K247 PolarHBondContact OE1-NZ 3.46Å |
| 244 | K | 78.6 | Confident | 80.6 | Confident | 120 Ų | 120 | 109.2 Ų | 109.2 | 52% | 0.522 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -72.5 | -43 | 176.4 | -68.3 | -68.2 | -175.2 | 177.4 | 0 | 110.9 | S241 K242 E246 K247 T248 | S241-K244 WeakPolarHBondContact O-CB 3.34Å; S241-K244 PolarHBondContact O-N 3.1Å; K242-K244 PolarHBondContact O-N 2.74Å; K244-E246 VanDerWaalsContact C-N 3.34Å; K244-E246 PolarHBondContact O-N 2.91Å; K244-K247 PolarHBondContact O-N 3.01Å; K244-T248 PolarHBondContact O-N 3.33Å; K244-T248 PolarHBondContact O-OG1 3.25Å |
| 245 | M | 77.3 | Confident | 80.9 | Confident | 106 Ų | 106 | 110.4 Ų | 110.4 | 52% | 0.522 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 176.1 | -169.6 | -175.5 | -66.8 | 0 | 0 | 111.5 | F240 S241 K242 T248 K249 | F240-M245 HydrophobicContact CD1-CE 4.07Å; S241-M245 PolarHBondContact O-N 2.84Å; K242-M245 PolarHBondContact O-N 3.42Å; M245-T248 PolarHBondContact O-N 2.88Å; M245-K249 VanDerWaalsContact O-CB 3.25Å; M245-K249 WeakPolarHBondContact O-CB 3.29Å; M245-K249 PolarHBondContact O-N 3.33Å |
| 246 | E | 81.5 | Confident | 81.4 | Confident | 114 Ų | 114 | 110.5 Ų | 110.5 | 53% | 0.533 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.5 | -44.5 | 176.7 | -76.2 | 170.3 | -179.9 | 0 | 0 | 112.3 | K242 K244 T248 K249 L250 | K242-E246 WeakPolarHBondContact O-CB 3.5Å; K242-E246 VanDerWaalsContact O-CG 3.29Å; K242-E246 WeakPolarHBondContact O-CG 3.31Å; K242-E246 PolarHBondContact O-N 3.23Å; K244-E246 VanDerWaalsContact C-N 3.34Å; K244-E246 PolarHBondContact O-N 2.91Å; E246-T248 VanDerWaalsContact C-N 3.28Å; E246-T248 PolarHBondContact O-N 2.87Å; E246-K249 PolarHBondContact O-N 2.83Å; E246-K249 VanDerWaalsContact O-N 3.15Å; E246-L250 WeakPolarHBondContact O-CB 3.35Å; E246-L250 VanDerWaalsContact O-CG 3.32Å; E246-L250 WeakPolarHBondContact O-CG 3.42Å; E246-L250 PolarHBondContact O-N 2.68Å |
| 247 | K | 84.3 | Confident | 82 | Confident | 116 Ų | 116 | 112.5 Ų | 112.5 | 50% | 0.504 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.5 | -36.4 | 174.8 | -77.3 | 173.6 | 177 | 177.4 | 0 | 112.3 | E243 K244 K251 | E243-K247 HydrophobicContact CG-CD 4.41Å; E243-K247 WeakPolarHBondContact O-CB 3.48Å; E243-K247 VanDerWaalsContact O-CG 3.28Å; E243-K247 WeakPolarHBondContact O-CG 3.38Å; E243-K247 PolarHBondContact O-N 2.85Å; E243-K247 WeakPolarHBondContact OE1-CE 3.41Å; E243-K247 IonicContact OE1-NZ 2.74Å; E243-K247 PolarHBondContact OE1-NZ 3.46Å; K244-K247 PolarHBondContact O-N 3.01Å; K247-K251 WeakPolarHBondContact O-CG 3.18Å; K247-K251 PolarHBondContact O-N 2.91Å |
| 248 | T | 82.4 | Confident | 82.5 | Confident | 88 Ų | 88 | 111.2 Ų | 111.2 | 54% | 0.54 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.5 | -46.7 | 171.3 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | K244 M245 E246 L250 K251 T252 | K244-T248 PolarHBondContact O-N 3.33Å; K244-T248 PolarHBondContact O-OG1 3.25Å; M245-T248 PolarHBondContact O-N 2.88Å; E246-T248 VanDerWaalsContact C-N 3.28Å; E246-T248 PolarHBondContact O-N 2.87Å; T248-L250 VanDerWaalsContact C-N 3.29Å; T248-L250 PolarHBondContact O-N 3.33Å; T248-K251 PolarHBondContact O-N 3.38Å; T248-K251 VanDerWaalsContact O-N 3.17Å; T248-T252 PolarHBondContact O-N 2.82Å; T248-T252 PolarHBondContact O-OG1 3Å; T248-T252 VanDerWaalsContact O-OG1 3.13Å |
| 249 | K | 83.6 | Confident | 82.8 | Confident | 136 Ų | 136 | 107.7 Ų | 107.7 | 59% | 0.591 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59 | -37.3 | 178.7 | -171.1 | 176.2 | -174.2 | 176.1 | 0 | 112.5 | M245 E246 K253 | M245-K249 VanDerWaalsContact O-CB 3.25Å; M245-K249 WeakPolarHBondContact O-CB 3.29Å; M245-K249 PolarHBondContact O-N 3.33Å; E246-K249 PolarHBondContact O-N 2.83Å; E246-K249 VanDerWaalsContact O-N 3.15Å; K249-K253 WeakPolarHBondContact O-CG 3.49Å; K249-K253 PolarHBondContact O-N 3.36Å |
| 250 | L | 86.1 | Confident | 83.7 | Confident | 110 Ų | 110 | 110.3 Ų | 110.3 | 58% | 0.576 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.8 | -49.1 | 173.7 | -72.6 | 169.4 | 0 | 0 | 0 | 111.5 | E246 T248 T252 K253 E254 | E246-L250 WeakPolarHBondContact O-CB 3.35Å; E246-L250 VanDerWaalsContact O-CG 3.32Å; E246-L250 WeakPolarHBondContact O-CG 3.42Å; E246-L250 PolarHBondContact O-N 2.68Å; T248-L250 VanDerWaalsContact C-N 3.29Å; T248-L250 PolarHBondContact O-N 3.33Å; L250-T252 VanDerWaalsContact C-N 3.3Å; L250-T252 PolarHBondContact O-N 3.11Å; L250-K253 WeakPolarHBondContact O-CB 3.44Å; L250-K253 PolarHBondContact O-N 2.97Å; L250-K253 VanDerWaalsContact O-N 3.15Å; L250-E254 WeakPolarHBondContact O-CB 3.44Å; L250-E254 PolarHBondContact O-N 2.82Å |
| 251 | K | 87.1 | Confident | 84.6 | Confident | 137 Ų | 137 | 109.8 Ų | 109.8 | 60% | 0.596 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.4 | -38.2 | 175.2 | -73.3 | -177.7 | 177.1 | -168.3 | 0 | 112.8 | K247 T248 E254 N255 | K247-K251 WeakPolarHBondContact O-CG 3.18Å; K247-K251 PolarHBondContact O-N 2.91Å; T248-K251 PolarHBondContact O-N 3.38Å; T248-K251 VanDerWaalsContact O-N 3.17Å; K251-E254 PolarHBondContact O-N 2.91Å; K251-N255 WeakPolarHBondContact O-CB 3.22Å; K251-N255 PolarHBondContact O-N 2.78Å; K251-N255 PolarHBondContact O-ND2 2.88Å |
| 252 | T | 86.6 | Confident | 85.1 | Confident | 91 Ų | 91 | 116 Ų | 116 | 56% | 0.558 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.3 | -40.6 | 175.8 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | T248 L250 L256 | T248-T252 PolarHBondContact O-N 2.82Å; T248-T252 PolarHBondContact O-OG1 3Å; T248-T252 VanDerWaalsContact O-OG1 3.13Å; L250-T252 VanDerWaalsContact C-N 3.3Å; L250-T252 PolarHBondContact O-N 3.11Å; T252-L256 WeakPolarHBondContact O-CB 3.42Å; T252-L256 PolarHBondContact O-N 3.36Å |
| 253 | K | 87.6 | Confident | 85.6 | Confident | 130 Ų | 130 | 112.4 Ų | 112.4 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61 | -48.6 | 171.6 | -79.8 | -177.9 | 169.5 | -167.2 | 0 | 111.8 | K249 L250 N255 L256 E257 | K249-K253 WeakPolarHBondContact O-CG 3.49Å; K249-K253 PolarHBondContact O-N 3.36Å; L250-K253 WeakPolarHBondContact O-CB 3.44Å; L250-K253 PolarHBondContact O-N 2.97Å; L250-K253 VanDerWaalsContact O-N 3.15Å; K253-N255 PolarHBondContact O-N 3.31Å; K253-L256 WeakPolarHBondContact O-CB 3.47Å; K253-L256 PolarHBondContact O-N 2.75Å; K253-E257 WeakPolarHBondContact O-CB 3.36Å; K253-E257 PolarHBondContact O-N 2.76Å |
| 254 | E | 88.4 | Confident | 86.2 | Confident | 90 Ų | 90 | 117.2 Ų | 117.2 | 42% | 0.421 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60 | -44.3 | -179.1 | -170.5 | -162.3 | 153.9 | 0 | 0 | 111.9 | L250 K251 E257 K258 | L250-E254 WeakPolarHBondContact O-CB 3.44Å; L250-E254 PolarHBondContact O-N 2.82Å; K251-E254 PolarHBondContact O-N 2.91Å; E254-E257 PolarHBondContact O-N 3.16Å; E254-K258 HydrophobicContact CG-CD 4.32Å; E254-K258 WeakPolarHBondContact O-CB 3.49Å; E254-K258 WeakPolarHBondContact O-CG 3.25Å; E254-K258 PolarHBondContact O-N 2.99Å; E254-K258 WeakPolarHBondContact OE1-CE 3.48Å; E254-K258 IonicContact OE1-NZ 3.33Å; E254-K258 PolarHBondContact OE1-NZ 2.78Å |
| 255 | N | 87.4 | Confident | 86.7 | Confident | 95 Ų | 95 | 115.8 Ų | 115.8 | 51% | 0.508 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.5 | -37.9 | 176.1 | -75.7 | -41.6 | 0 | 0 | 0 | 112.5 | K251 K253 E257 T259 | K251-N255 WeakPolarHBondContact O-CB 3.22Å; K251-N255 PolarHBondContact O-N 2.78Å; K251-N255 PolarHBondContact O-ND2 2.88Å; K253-N255 PolarHBondContact O-N 3.31Å; N255-E257 VanDerWaalsContact C-N 3.33Å; N255-T259 WeakPolarHBondContact O-CB 3.25Å; N255-T259 PolarHBondContact O-N 2.78Å; N255-T259 PolarHBondContact O-OG1 2.82Å |
| 256 | L | 90 | Very high | 87.2 | Confident | 95 Ų | 95 | 115.2 Ų | 115.2 | 50% | 0.497 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 173.3 | 178.9 | 61.7 | 0 | 0 | 0 | 111.5 | T252 K253 T259 K260 | T252-L256 WeakPolarHBondContact O-CB 3.42Å; T252-L256 PolarHBondContact O-N 3.36Å; K253-L256 WeakPolarHBondContact O-CB 3.47Å; K253-L256 PolarHBondContact O-N 2.75Å; L256-T259 PolarHBondContact O-N 3.08Å; L256-K260 HydrophobicContact CG-CD 4.44Å; L256-K260 WeakPolarHBondContact O-CG 3.43Å; L256-K260 PolarHBondContact O-N 3.24Å |
| 257 | E | 88.8 | Confident | 87.7 | Confident | 135 Ų | 135 | 115.6 Ų | 115.6 | 63% | 0.631 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.9 | -47.2 | 177.9 | -174.3 | 149.7 | -135 | 0 | 0 | 112.1 | K253 E254 N255 T259 K260 Q261 | K253-E257 WeakPolarHBondContact O-CB 3.36Å; K253-E257 PolarHBondContact O-N 2.76Å; E254-E257 PolarHBondContact O-N 3.16Å; N255-E257 VanDerWaalsContact C-N 3.33Å; E257-T259 PolarHBondContact O-N 3.34Å; E257-K260 PolarHBondContact O-N 3.21Å; E257-K260 VanDerWaalsContact O-N 3.14Å; E257-Q261 WeakPolarHBondContact O-CB 3.47Å; E257-Q261 PolarHBondContact O-N 3.23Å |
| 258 | K | 90.1 | Very high | 88 | Confident | 99 Ų | 99 | 113.7 Ų | 113.7 | 43% | 0.43 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -55.8 | -37.7 | 170.8 | -76.2 | 171.1 | 170.9 | 174.5 | 0 | 112.4 | E254 R262 | E254-K258 HydrophobicContact CG-CD 4.32Å; E254-K258 WeakPolarHBondContact O-CB 3.49Å; E254-K258 WeakPolarHBondContact O-CG 3.25Å; E254-K258 PolarHBondContact O-N 2.99Å; E254-K258 WeakPolarHBondContact OE1-CE 3.48Å; E254-K258 IonicContact OE1-NZ 3.33Å; E254-K258 PolarHBondContact OE1-NZ 2.78Å; K258-R262 WeakPolarHBondContact O-CG 3.3Å; K258-R262 PolarHBondContact O-N 3.3Å |
| 259 | T | 86.1 | Confident | 88.4 | Confident | 82 Ų | 82 | 114.6 Ų | 114.6 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67 | -49.7 | 175 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | N255 L256 E257 Q261 R262 T263 | N255-T259 WeakPolarHBondContact O-CB 3.25Å; N255-T259 PolarHBondContact O-N 2.78Å; N255-T259 PolarHBondContact O-OG1 2.82Å; L256-T259 PolarHBondContact O-N 3.08Å; E257-T259 PolarHBondContact O-N 3.34Å; T259-Q261 VanDerWaalsContact C-N 3.28Å; T259-Q261 PolarHBondContact O-N 2.82Å; T259-R262 PolarHBondContact O-N 2.92Å; T259-T263 PolarHBondContact O-N 3.09Å; T259-T263 PolarHBondContact O-OG1 3.46Å |
| 260 | K | 88.9 | Confident | 88.7 | Confident | 124 Ų | 124 | 112.2 Ų | 112.2 | 54% | 0.539 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.8 | -38.4 | 175.4 | -74.2 | 173.1 | 178.9 | -178.3 | 0 | 112.5 | L256 E257 T263 R264 | L256-K260 HydrophobicContact CG-CD 4.44Å; L256-K260 WeakPolarHBondContact O-CG 3.43Å; L256-K260 PolarHBondContact O-N 3.24Å; E257-K260 PolarHBondContact O-N 3.21Å; E257-K260 VanDerWaalsContact O-N 3.14Å; K260-T263 PolarHBondContact O-N 2.9Å; K260-R264 WeakPolarHBondContact O-CG 3.4Å; K260-R264 PolarHBondContact O-N 3.04Å |
| 261 | Q | 88.8 | Confident | 88.9 | Confident | 127 Ų | 127 | 113.6 Ų | 113.6 | 59% | 0.593 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65 | -49 | 177.2 | -170.2 | 175.1 | 12.5 | 0 | 0 | 111 | E257 T259 T263 R264 E265 | E257-Q261 WeakPolarHBondContact O-CB 3.47Å; E257-Q261 PolarHBondContact O-N 3.23Å; T259-Q261 VanDerWaalsContact C-N 3.28Å; T259-Q261 PolarHBondContact O-N 2.82Å; Q261-T263 VanDerWaalsContact C-N 3.33Å; Q261-T263 PolarHBondContact O-N 3.43Å; Q261-R264 PolarHBondContact O-N 2.76Å; Q261-E265 WeakPolarHBondContact O-CB 3.43Å; Q261-E265 PolarHBondContact O-N 3.37Å |
| 262 | R | 89 | Confident | 89.1 | Confident | 177 Ų | 177 | 110.8 Ų | 110.8 | 67% | 0.668 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58 | -40.9 | 174.4 | -76.9 | 174.9 | 169 | 180 | -4.5 | 112.8 | K258 T259 E265 N266 | K258-R262 WeakPolarHBondContact O-CG 3.3Å; K258-R262 PolarHBondContact O-N 3.3Å; T259-R262 PolarHBondContact O-N 2.92Å; R262-E265 PolarHBondContact O-N 3.46Å; R262-N266 WeakPolarHBondContact O-CB 3.37Å; R262-N266 VanDerWaalsContact O-CG 3.3Å; R262-N266 PolarHBondContact O-N 3.15Å; R262-N266 PolarHBondContact O-ND2 3.37Å |
| 263 | T | 87.3 | Confident | 89.3 | Confident | 93 Ų | 93 | 113.2 Ų | 113.2 | 57% | 0.571 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.3 | -43.2 | 175.6 | -55.6 | 0 | 0 | 0 | 0 | 112 | T259 K260 Q261 L267 | T259-T263 PolarHBondContact O-N 3.09Å; T259-T263 PolarHBondContact O-OG1 3.46Å; K260-T263 PolarHBondContact O-N 2.9Å; Q261-T263 VanDerWaalsContact C-N 3.33Å; Q261-T263 PolarHBondContact O-N 3.43Å; T263-L267 WeakPolarHBondContact O-CB 3.31Å; T263-L267 PolarHBondContact O-N 2.82Å; T263-L267 VanDerWaalsContact O-N 3.08Å |
| 264 | R | 89.7 | Confident | 89.5 | Confident | 196 Ų | 196 | 111.4 Ų | 111.4 | 74% | 0.74 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.5 | -43 | 174.7 | -75 | 174.2 | 171.9 | -178.2 | -3.6 | 112.3 | K260 Q261 L267 E268 | K260-R264 WeakPolarHBondContact O-CG 3.4Å; K260-R264 PolarHBondContact O-N 3.04Å; Q261-R264 PolarHBondContact O-N 2.76Å; R264-L267 PolarHBondContact O-N 3.37Å; R264-E268 PolarHBondContact O-N 3.45Å |
| 265 | E | 89.6 | Confident | 89.6 | Confident | 90 Ų | 90 | 111.8 Ų | 111.8 | 42% | 0.421 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.3 | -45 | 179.7 | -169.5 | -168.3 | 160.3 | 0 | 0 | 111.6 | Q261 R262 L267 E268 K269 | Q261-E265 WeakPolarHBondContact O-CB 3.43Å; Q261-E265 PolarHBondContact O-N 3.37Å; R262-E265 PolarHBondContact O-N 3.46Å; E265-L267 VanDerWaalsContact C-N 3.31Å; E265-L267 PolarHBondContact O-N 3.06Å; E265-E268 PolarHBondContact O-N 3.21Å; E265-K269 HydrophobicContact CG-CD 4.34Å; E265-K269 WeakPolarHBondContact O-CB 3.36Å; E265-K269 VanDerWaalsContact O-CG 3.27Å; E265-K269 WeakPolarHBondContact O-CG 3.5Å; E265-K269 PolarHBondContact O-N 3.17Å; E265-K269 WeakPolarHBondContact OE1-CE 3.31Å; E265-K269 IonicContact OE1-NZ 3.53Å; E265-K269 PolarHBondContact OE1-NZ 2.96Å |
| 266 | N | 88.9 | Confident | 89.8 | Confident | 95 Ų | 95 | 110 Ų | 110 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -35.9 | 175.2 | -73.3 | -16 | 0 | 0 | 0 | 112.1 | R262 T270 | R262-N266 WeakPolarHBondContact O-CB 3.37Å; R262-N266 VanDerWaalsContact O-CG 3.3Å; R262-N266 PolarHBondContact O-N 3.15Å; R262-N266 PolarHBondContact O-ND2 3.37Å; N266-T270 WeakPolarHBondContact O-CB 3.48Å; N266-T270 PolarHBondContact O-N 3.45Å; N266-T270 PolarHBondContact O-OG1 2.79Å |
| 267 | L | 91.3 | Very high | 89.8 | Confident | 121 Ų | 121 | 109.9 Ų | 109.9 | 63% | 0.634 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67 | -47.9 | 176.3 | -177.2 | 61.7 | 0 | 0 | 0 | 111.7 | T263 R264 E265 T270 R271 | T263-L267 WeakPolarHBondContact O-CB 3.31Å; T263-L267 PolarHBondContact O-N 2.82Å; T263-L267 VanDerWaalsContact O-N 3.08Å; R264-L267 PolarHBondContact O-N 3.37Å; E265-L267 VanDerWaalsContact C-N 3.31Å; E265-L267 PolarHBondContact O-N 3.06Å; L267-T270 WeakPolarHBondContact O-CB 3.3Å; L267-T270 PolarHBondContact O-N 2.89Å; L267-R271 WeakPolarHBondContact O-CB 3.41Å; L267-R271 PolarHBondContact O-N 3.49Å |
| 268 | E | 90.8 | Very high | 90 | Very high | 77 Ų | 77 | 108 Ų | 108 | 36% | 0.36 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.6 | -32.5 | 178.6 | -164.1 | 65.3 | -150.3 | 0 | 0 | 111.9 | R264 E265 T270 R271 Q272 R275 | R264-E268 PolarHBondContact O-N 3.45Å; E265-E268 PolarHBondContact O-N 3.21Å; E268-T270 VanDerWaalsContact C-N 3.32Å; E268-T270 PolarHBondContact O-N 3.19Å; E268-R271 PolarHBondContact O-N 3.29Å; E268-R271 WeakPolarHBondContact OE1-CD 3.3Å; E268-R271 IonicContact OE1-NH1 3.9Å; E268-R271 PolarHBondContact OE1-NH1 3.2Å; E268-R271 WeakPolarHBondContact OE2-CD 3.49Å; E268-R271 IonicContact OE2-CZ 3.21Å; E268-R271 IonicContact OE2-NE 2.68Å; E268-R271 IonicContact OE2-NH1 2.83Å; E268-R271 PolarHBondContact OE2-NH1 3.34Å; E268-Q272 WeakPolarHBondContact O-CB 3.28Å; E268-Q272 PolarHBondContact O-N 2.95Å; E268-R275 IonicContact OE1-CZ 3.3Å; E268-R275 IonicContact OE1-NH1 2.78Å; E268-R275 PolarHBondContact OE1-NH1 3.29Å; E268-R275 IonicContact OE1-NH2 3.74Å; E268-R275 PolarHBondContact OE1-NH2 2.78Å |
| 269 | K | 91.2 | Very high | 90 | Very high | 107 Ų | 107 | 109.6 Ų | 109.6 | 47% | 0.465 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 168.6 | -78.7 | 174.9 | -177.6 | 171.7 | 0 | 112.1 | E265 K273 | E265-K269 HydrophobicContact CG-CD 4.34Å; E265-K269 WeakPolarHBondContact O-CB 3.36Å; E265-K269 VanDerWaalsContact O-CG 3.27Å; E265-K269 WeakPolarHBondContact O-CG 3.5Å; E265-K269 PolarHBondContact O-N 3.17Å; E265-K269 WeakPolarHBondContact OE1-CE 3.31Å; E265-K269 IonicContact OE1-NZ 3.53Å; E265-K269 PolarHBondContact OE1-NZ 2.96Å; K269-K273 WeakPolarHBondContact O-CG 3.34Å; K269-K273 PolarHBondContact O-N 2.7Å |
| 270 | T | 89.1 | Confident | 90.2 | Very high | 86 Ų | 86 | 112 Ų | 112 | 53% | 0.528 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.8 | -48.6 | 175.4 | -57.2 | 0 | 0 | 0 | 0 | 110.6 | N266 L267 E268 Q272 K273 T274 | N266-T270 WeakPolarHBondContact O-CB 3.48Å; N266-T270 PolarHBondContact O-N 3.45Å; N266-T270 PolarHBondContact O-OG1 2.79Å; L267-T270 WeakPolarHBondContact O-CB 3.3Å; L267-T270 PolarHBondContact O-N 2.89Å; E268-T270 VanDerWaalsContact C-N 3.32Å; E268-T270 PolarHBondContact O-N 3.19Å; T270-Q272 VanDerWaalsContact C-N 3.3Å; T270-Q272 PolarHBondContact O-N 3.21Å; T270-K273 PolarHBondContact O-N 3.3Å; T270-T274 PolarHBondContact O-N 2.98Å; T270-T274 PolarHBondContact O-OG1 2.74Å; T270-T274 VanDerWaalsContact O-OG1 3.12Å |
| 271 | R | 91.4 | Very high | 90.2 | Very high | 138 Ų | 138 | 110.2 Ų | 110.2 | 52% | 0.521 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.6 | -38.7 | 178.2 | -167 | -173.8 | -176 | -160.5 | 4.7 | 112.4 | L267 E268 T274 R275 | L267-R271 WeakPolarHBondContact O-CB 3.41Å; L267-R271 PolarHBondContact O-N 3.49Å; E268-R271 PolarHBondContact O-N 3.29Å; E268-R271 WeakPolarHBondContact OE1-CD 3.3Å; E268-R271 IonicContact OE1-NH1 3.9Å; E268-R271 PolarHBondContact OE1-NH1 3.2Å; E268-R271 WeakPolarHBondContact OE2-CD 3.49Å; E268-R271 IonicContact OE2-CZ 3.21Å; E268-R271 IonicContact OE2-NE 2.68Å; E268-R271 IonicContact OE2-NH1 2.83Å; E268-R271 PolarHBondContact OE2-NH1 3.34Å; R271-T274 PolarHBondContact O-N 2.79Å; R271-R275 WeakPolarHBondContact O-CG 3.31Å; R271-R275 PolarHBondContact O-N 3.03Å |
| 272 | Q | 90.9 | Very high | 90.3 | Very high | 78 Ų | 78 | 110.5 Ų | 110.5 | 36% | 0.364 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.2 | -48.5 | 176.6 | -167.5 | 57.7 | 35.3 | 0 | 0 | 111 | E268 T270 T274 R275 D276 | E268-Q272 WeakPolarHBondContact O-CB 3.28Å; E268-Q272 PolarHBondContact O-N 2.95Å; T270-Q272 VanDerWaalsContact C-N 3.3Å; T270-Q272 PolarHBondContact O-N 3.21Å; Q272-T274 PolarHBondContact O-N 3.19Å; Q272-T274 VanDerWaalsContact O-N 3.16Å; Q272-R275 CarbonylContact O-C 3.53Å; Q272-R275 WeakPolarHBondContact O-CA 3.42Å; Q272-R275 WeakPolarHBondContact O-CB 3.15Å; Q272-R275 PolarHBondContact O-N 3.34Å; Q272-D276 PolarHBondContact NE2-OD1 3.27Å; Q272-D276 PolarHBondContact O-N 2.91Å |
| 273 | K | 90.8 | Very high | 90.3 | Very high | 143 Ų | 143 | 106.3 Ų | 106.3 | 62% | 0.622 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -53.3 | -38.3 | 172.3 | -74 | -178.1 | 175.2 | -169.6 | 0 | 112.6 | K269 T270 N277 | K269-K273 WeakPolarHBondContact O-CG 3.34Å; K269-K273 PolarHBondContact O-N 2.7Å; T270-K273 PolarHBondContact O-N 3.3Å; K273-N277 VanDerWaalsContact O-CB 3.31Å; K273-N277 WeakPolarHBondContact O-CB 3.28Å; K273-N277 VanDerWaalsContact O-CG 3.29Å; K273-N277 PolarHBondContact O-N 3.28Å; K273-N277 PolarHBondContact O-ND2 2.97Å |
| 274 | T | 90.7 | Very high | 90.5 | Very high | 92 Ų | 92 | 106.2 Ų | 106.2 | 56% | 0.564 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.7 | -40.2 | 174.1 | -55.9 | 0 | 0 | 0 | 0 | 112.6 | T270 R271 Q272 L278 | T270-T274 PolarHBondContact O-N 2.98Å; T270-T274 PolarHBondContact O-OG1 2.74Å; T270-T274 VanDerWaalsContact O-OG1 3.12Å; R271-T274 PolarHBondContact O-N 2.79Å; Q272-T274 PolarHBondContact O-N 3.19Å; Q272-T274 VanDerWaalsContact O-N 3.16Å; T274-L278 VanDerWaalsContact O-CB 3.29Å; T274-L278 WeakPolarHBondContact O-CB 3.33Å; T274-L278 PolarHBondContact O-N 2.84Å |
| 275 | R | 91.4 | Very high | 90.4 | Very high | 98 Ų | 98 | 101.7 Ų | 101.7 | 37% | 0.37 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62 | -50.7 | 171.6 | -69.6 | -176.7 | -173.6 | 109.8 | -3.3 | 111.2 | E268 R271 Q272 N277 L278 E279 | E268-R275 IonicContact OE1-CZ 3.3Å; E268-R275 IonicContact OE1-NH1 2.78Å; E268-R275 PolarHBondContact OE1-NH1 3.29Å; E268-R275 IonicContact OE1-NH2 3.74Å; E268-R275 PolarHBondContact OE1-NH2 2.78Å; R271-R275 WeakPolarHBondContact O-CG 3.31Å; R271-R275 PolarHBondContact O-N 3.03Å; Q272-R275 CarbonylContact O-C 3.53Å; Q272-R275 WeakPolarHBondContact O-CA 3.42Å; Q272-R275 WeakPolarHBondContact O-CB 3.15Å; Q272-R275 PolarHBondContact O-N 3.34Å; R275-N277 VanDerWaalsContact C-N 3.31Å; R275-N277 PolarHBondContact O-N 3.07Å; R275-L278 CarbonylContact O-C 3.59Å; R275-L278 WeakPolarHBondContact O-CB 3.32Å; R275-L278 PolarHBondContact O-N 3.44Å; R275-L278 VanDerWaalsContact O-N 3.11Å; R275-E279 WeakPolarHBondContact O-CB 3.5Å; R275-E279 PolarHBondContact O-N 3.08Å |
| 276 | D | 91.3 | Very high | 90.3 | Very high | 57 Ų | 57 | 102.2 Ų | 102.2 | 31% | 0.305 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.9 | -42.3 | -177.1 | -51.9 | -26.5 | 0 | 0 | 0 | 111 | Q272 E279 K280 | Q272-D276 PolarHBondContact NE2-OD1 3.27Å; Q272-D276 PolarHBondContact O-N 2.91Å; D276-E279 PolarHBondContact O-N 2.83Å; D276-K280 WeakPolarHBondContact O-CB 3.43Å; D276-K280 VanDerWaalsContact O-CG 3.26Å; D276-K280 WeakPolarHBondContact O-CG 3.45Å; D276-K280 PolarHBondContact O-N 3.17Å |
| 277 | N | 90.8 | Very high | 90.2 | Very high | 92 Ų | 92 | 102.7 Ų | 102.7 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.1 | -37 | 176.1 | -74.3 | -15.8 | 0 | 0 | 0 | 112.5 | K273 R275 E279 T281 | K273-N277 VanDerWaalsContact O-CB 3.31Å; K273-N277 WeakPolarHBondContact O-CB 3.28Å; K273-N277 VanDerWaalsContact O-CG 3.29Å; K273-N277 PolarHBondContact O-N 3.28Å; K273-N277 PolarHBondContact O-ND2 2.97Å; R275-N277 VanDerWaalsContact C-N 3.31Å; R275-N277 PolarHBondContact O-N 3.07Å; N277-E279 VanDerWaalsContact C-N 3.32Å; N277-T281 VanDerWaalsContact O-CB 3.31Å; N277-T281 WeakPolarHBondContact O-CB 3.21Å; N277-T281 PolarHBondContact O-N 3.14Å; N277-T281 PolarHBondContact O-OG1 3.04Å |
| 278 | L | 91.6 | Very high | 89.9 | Confident | 96 Ų | 96 | 104.1 Ų | 104.1 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.2 | -36.9 | 172.2 | 179.8 | 61.7 | 0 | 0 | 0 | 111.5 | T274 R275 T281 K282 | T274-L278 VanDerWaalsContact O-CB 3.29Å; T274-L278 WeakPolarHBondContact O-CB 3.33Å; T274-L278 PolarHBondContact O-N 2.84Å; R275-L278 CarbonylContact O-C 3.59Å; R275-L278 WeakPolarHBondContact O-CB 3.32Å; R275-L278 PolarHBondContact O-N 3.44Å; R275-L278 VanDerWaalsContact O-N 3.11Å; L278-T281 WeakPolarHBondContact O-CB 3.23Å; L278-T281 PolarHBondContact O-N 3.19Å; L278-K282 WeakPolarHBondContact O-CB 3.1Å; L278-K282 WeakPolarHBondContact O-CG 3.19Å; L278-K282 PolarHBondContact O-N 2.82Å |
| 279 | E | 90.3 | Very high | 89.4 | Confident | 133 Ų | 133 | 105 Ų | 105 | 62% | 0.621 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -72 | -43.7 | 178.2 | -172.2 | 152.6 | -139.1 | 0 | 0 | 112 | R275 D276 N277 T281 K282 H283 | R275-E279 WeakPolarHBondContact O-CB 3.5Å; R275-E279 PolarHBondContact O-N 3.08Å; D276-E279 PolarHBondContact O-N 2.83Å; N277-E279 VanDerWaalsContact C-N 3.32Å; E279-T281 PolarHBondContact O-N 2.68Å; E279-K282 PolarHBondContact O-N 3.35Å; E279-H283 WeakPolarHBondContact O-CB 3.49Å; E279-H283 PolarHBondContact O-N 2.98Å |
| 280 | K | 90.8 | Very high | 88.9 | Confident | 131 Ų | 131 | 104.4 Ų | 104.4 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -56.1 | -39.1 | 166.8 | -72.5 | 170 | -176.5 | 178.6 | 0 | 112 | D276 N284 | D276-K280 WeakPolarHBondContact O-CB 3.43Å; D276-K280 VanDerWaalsContact O-CG 3.26Å; D276-K280 WeakPolarHBondContact O-CG 3.45Å; D276-K280 PolarHBondContact O-N 3.17Å; K280-N284 WeakPolarHBondContact O-CB 3.37Å; K280-N284 PolarHBondContact O-N 2.7Å; K280-N284 PolarHBondContact O-ND2 3.3Å |
| 281 | T | 88.3 | Confident | 88.4 | Confident | 87 Ų | 87 | 108 Ų | 108 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.5 | -46.1 | 177.4 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | N277 L278 E279 H283 N284 L285 | N277-T281 VanDerWaalsContact O-CB 3.31Å; N277-T281 WeakPolarHBondContact O-CB 3.21Å; N277-T281 PolarHBondContact O-N 3.14Å; N277-T281 PolarHBondContact O-OG1 3.04Å; L278-T281 WeakPolarHBondContact O-CB 3.23Å; L278-T281 PolarHBondContact O-N 3.19Å; E279-T281 PolarHBondContact O-N 2.68Å; T281-H283 PolarHBondContact O-N 3.31Å; T281-N284 PolarHBondContact O-N 2.7Å; T281-L285 WeakPolarHBondContact O-CB 3.44Å; T281-L285 PolarHBondContact O-N 2.76Å |
| 282 | K | 91.2 | Very high | 87.4 | Confident | 134 Ų | 134 | 106 Ų | 106 | 58% | 0.583 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -57 | -48.1 | 173.5 | -77.8 | 173.9 | 176 | -176.9 | 0 | 111.7 | L278 E279 N284 L285 E286 | L278-K282 WeakPolarHBondContact O-CB 3.1Å; L278-K282 WeakPolarHBondContact O-CG 3.19Å; L278-K282 PolarHBondContact O-N 2.82Å; E279-K282 PolarHBondContact O-N 3.35Å; K282-N284 PolarHBondContact O-N 3.17Å; K282-L285 WeakPolarHBondContact O-CB 3.33Å; K282-L285 PolarHBondContact O-N 3.45Å; K282-E286 VanDerWaalsContact O-CB 3.3Å; K282-E286 WeakPolarHBondContact O-CB 3.48Å; K282-E286 PolarHBondContact O-N 2.92Å |
| 283 | H | 89.5 | Confident | 86 | Confident | 88 Ų | 88 | 103.9 Ų | 103.9 | 41% | 0.407 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.3 | -33.5 | -178.9 | -172.6 | 37.8 | 0 | 0 | 0 | 112.6 | E279 T281 E286 K287 | E279-H283 WeakPolarHBondContact O-CB 3.49Å; E279-H283 PolarHBondContact O-N 2.98Å; T281-H283 PolarHBondContact O-N 3.31Å; H283-E286 IonicContact ND1-OE2 2.8Å; H283-E286 PolarHBondContact ND1-OE2 2.85Å; H283-K287 PolarHBondContact CD2-NZ 3.31Å; H283-K287 VanDerWaalsContact NE2-CE 3.28Å; H283-K287 WeakPolarHBondContact NE2-CE 3.47Å; H283-K287 PolarHBondContact NE2-NZ 2.83Å; H283-K287 WeakPolarHBondContact O-CB 3.46Å; H283-K287 WeakPolarHBondContact O-CG 3.35Å; H283-K287 PolarHBondContact O-N 3.13Å |
| 284 | N | 90.3 | Very high | 84.8 | Confident | 92 Ų | 92 | 102.5 Ų | 102.5 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.2 | -39.6 | 170.7 | -85.4 | -68.1 | 0 | 0 | 0 | 112.7 | K280 T281 K282 K287 K288 | K280-N284 WeakPolarHBondContact O-CB 3.37Å; K280-N284 PolarHBondContact O-N 2.7Å; K280-N284 PolarHBondContact O-ND2 3.3Å; T281-N284 PolarHBondContact O-N 2.7Å; K282-N284 PolarHBondContact O-N 3.17Å; N284-K287 PolarHBondContact O-N 3.3Å; N284-K288 WeakPolarHBondContact O-CG 3.18Å; N284-K288 PolarHBondContact O-N 3.43Å |
| 285 | L | 87.8 | Confident | 83.3 | Confident | 101 Ų | 101 | 108.5 Ų | 108.5 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 173.9 | -175.7 | 68.4 | 0 | 0 | 0 | 110.7 | T281 K282 K288 I289 | T281-L285 WeakPolarHBondContact O-CB 3.44Å; T281-L285 PolarHBondContact O-N 2.76Å; K282-L285 WeakPolarHBondContact O-CB 3.33Å; K282-L285 PolarHBondContact O-N 3.45Å; L285-K288 CarbonylContact O-C 3.59Å; L285-K288 WeakPolarHBondContact O-CB 3.38Å; L285-K288 PolarHBondContact O-N 2.82Å; L285-K288 VanDerWaalsContact O-N 3.17Å; L285-I289 HydrophobicContact CD1-CD1 4.28Å; L285-I289 HydrophobicContact CD2-CD1 4.29Å; L285-I289 HydrophobicContact CG-CD1 3.81Å; L285-I289 HydrophobicContact CG-CG1 4.4Å; L285-I289 WeakPolarHBondContact O-CB 3.39Å; L285-I289 VanDerWaalsContact O-CG1 3.31Å; L285-I289 WeakPolarHBondContact O-CG1 3.39Å; L285-I289 PolarHBondContact O-N 3.06Å |
| 286 | E | 86.9 | Confident | 81.4 | Confident | 101 Ų | 101 | 110.2 Ų | 110.2 | 47% | 0.472 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 174.4 | -179 | -171.9 | -157.9 | 0 | 0 | 111.8 | K282 H283 K288 I289 N290 | K282-E286 VanDerWaalsContact O-CB 3.3Å; K282-E286 WeakPolarHBondContact O-CB 3.48Å; K282-E286 PolarHBondContact O-N 2.92Å; H283-E286 IonicContact ND1-OE2 2.8Å; H283-E286 PolarHBondContact ND1-OE2 2.85Å; E286-K288 VanDerWaalsContact C-N 3.27Å; E286-K288 PolarHBondContact O-N 2.97Å; E286-I289 PolarHBondContact O-N 3.13Å; E286-N290 WeakPolarHBondContact O-CB 3.32Å; E286-N290 PolarHBondContact O-N 2.82Å |
| 287 | K | 88.1 | Confident | 79.8 | Confident | 105 Ų | 105 | 112 Ų | 112 | 46% | 0.457 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -57.7 | -38.6 | 172.5 | -83.5 | 164.3 | 161.4 | 158.9 | 0 | 112.1 | H283 N284 K291 | H283-K287 PolarHBondContact CD2-NZ 3.31Å; H283-K287 VanDerWaalsContact NE2-CE 3.28Å; H283-K287 WeakPolarHBondContact NE2-CE 3.47Å; H283-K287 PolarHBondContact NE2-NZ 2.83Å; H283-K287 WeakPolarHBondContact O-CB 3.46Å; H283-K287 WeakPolarHBondContact O-CG 3.35Å; H283-K287 PolarHBondContact O-N 3.13Å; N284-K287 PolarHBondContact O-N 3.3Å; K287-K291 WeakPolarHBondContact O-CB 3.23Å; K287-K291 VanDerWaalsContact O-CG 3.29Å; K287-K291 WeakPolarHBondContact O-CG 3.46Å; K287-K291 PolarHBondContact O-N 3.45Å |
| 288 | K | 84.9 | Confident | 78.1 | Confident | 151 Ų | 151 | 110.8 Ų | 110.8 | 66% | 0.657 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -71.2 | -41.9 | 174.1 | -73.5 | 178.1 | 179.3 | -176.8 | 0 | 112.1 | N284 L285 E286 K291 L292 | N284-K288 WeakPolarHBondContact O-CG 3.18Å; N284-K288 PolarHBondContact O-N 3.43Å; L285-K288 CarbonylContact O-C 3.59Å; L285-K288 WeakPolarHBondContact O-CB 3.38Å; L285-K288 PolarHBondContact O-N 2.82Å; L285-K288 VanDerWaalsContact O-N 3.17Å; E286-K288 VanDerWaalsContact C-N 3.27Å; E286-K288 PolarHBondContact O-N 2.97Å; K288-K291 PolarHBondContact O-N 3.35Å; K288-L292 VanDerWaalsContact O-CB 3.3Å; K288-L292 WeakPolarHBondContact O-CB 3.32Å; K288-L292 PolarHBondContact O-N 3.08Å |
| 289 | I | 80.4 | Confident | 76.7 | Confident | 94 Ų | 94 | 111.2 Ų | 111.2 | 48% | 0.482 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.7 | -38.9 | 178.2 | -73.9 | 172.3 | 0 | 0 | 0 | 111.3 | L285 E286 L292 G293 | L285-I289 HydrophobicContact CD1-CD1 4.28Å; L285-I289 HydrophobicContact CD2-CD1 4.29Å; L285-I289 HydrophobicContact CG-CD1 3.81Å; L285-I289 HydrophobicContact CG-CG1 4.4Å; L285-I289 WeakPolarHBondContact O-CB 3.39Å; L285-I289 VanDerWaalsContact O-CG1 3.31Å; L285-I289 WeakPolarHBondContact O-CG1 3.39Å; L285-I289 PolarHBondContact O-N 3.06Å; E286-I289 PolarHBondContact O-N 3.13Å; I289-L292 CarbonylContact O-C 3.39Å; I289-L292 PolarHBondContact O-N 2.94Å; I289-G293 WeakPolarHBondContact O-CA 3.37Å; I289-G293 PolarHBondContact O-N 2.88Å |
| 290 | N | 80.5 | Confident | 75.6 | Confident | 95 Ų | 95 | 113 Ų | 113 | 51% | 0.508 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.9 | -40.1 | 177 | -72.7 | -21.7 | 0 | 0 | 0 | 111.5 | E286 L292 G293 T294 | E286-N290 WeakPolarHBondContact O-CB 3.32Å; E286-N290 PolarHBondContact O-N 2.82Å; N290-L292 VanDerWaalsContact C-N 3.35Å; N290-G293 PolarHBondContact O-N 3.29Å; N290-T294 PolarHBondContact O-N 3.38Å; N290-T294 PolarHBondContact O-OG1 2.8Å |
| 291 | K | 78.1 | Confident | 74.4 | Confident | 163 Ų | 163 | 112 Ų | 112 | 71% | 0.709 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.3 | -36.3 | 170.4 | -75.6 | 179.3 | 177.8 | -172.8 | 0 | 112.8 | K287 K288 T294 R295 | K287-K291 WeakPolarHBondContact O-CB 3.23Å; K287-K291 VanDerWaalsContact O-CG 3.29Å; K287-K291 WeakPolarHBondContact O-CG 3.46Å; K287-K291 PolarHBondContact O-N 3.45Å; K288-K291 PolarHBondContact O-N 3.35Å; K291-T294 PolarHBondContact O-OG1 2.64Å; K291-R295 WeakPolarHBondContact O-CB 3.47Å |
| 292 | L | 71.3 | Confident | 73.3 | Confident | 95 Ų | 95 | 115.7 Ų | 115.7 | 50% | 0.497 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.1 | -41.7 | 172.9 | -173.7 | 68.3 | 0 | 0 | 0 | 110.3 | K288 I289 N290 R295 M296 | K288-L292 VanDerWaalsContact O-CB 3.3Å; K288-L292 WeakPolarHBondContact O-CB 3.32Å; K288-L292 PolarHBondContact O-N 3.08Å; I289-L292 CarbonylContact O-C 3.39Å; I289-L292 PolarHBondContact O-N 2.94Å; N290-L292 VanDerWaalsContact C-N 3.35Å; L292-R295 CarbonylContact O-C 3.52Å; L292-R295 WeakPolarHBondContact O-CA 3.46Å; L292-R295 PolarHBondContact O-N 2.98Å; L292-M296 HydrophobicContact CD1-CE 4.42Å; L292-M296 HydrophobicContact CD1-CG 3.81Å; L292-M296 HydrophobicContact CG-CG 3.89Å; L292-M296 WeakPolarHBondContact O-CA 3.31Å; L292-M296 WeakPolarHBondContact O-CB 3.33Å; L292-M296 PolarHBondContact O-N 3.3Å |
| 293 | G | 61.8 | Low | 72.3 | Confident | 34 Ų | 34 | 118.2 Ų | 118.2 | 35% | 0.351 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.3 | -44.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | I289 N290 R295 M296 T297 | I289-G293 WeakPolarHBondContact O-CA 3.37Å; I289-G293 PolarHBondContact O-N 2.88Å; N290-G293 PolarHBondContact O-N 3.29Å; G293-R295 PolarHBondContact O-N 2.97Å; G293-M296 PolarHBondContact O-N 2.73Å; G293-T297 PolarHBondContact O-N 2.9Å; G293-T297 PolarHBondContact O-OG1 3.38Å |
| 294 | T | 63.8 | Low | 71.6 | Confident | 113 Ų | 113 | 116.7 Ų | 116.7 | 69% | 0.693 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.9 | -21 | 173 | 54.2 | 0 | 0 | 0 | 0 | 113.3 | N290 K291 T297 | N290-T294 PolarHBondContact O-N 3.38Å; N290-T294 PolarHBondContact O-OG1 2.8Å; K291-T294 PolarHBondContact O-OG1 2.64Å; T294-T297 PolarHBondContact O-OG1 2.9Å |
| 295 | R | 59.3 | Low | 70.8 | Confident | 219 Ų | 219 | 117.7 Ų | 117.7 | 83% | 0.826 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -91.4 | -21.7 | 174 | -165.6 | 174.4 | -178 | -177.5 | 0.9 | 113.6 | K291 L292 G293 | K291-R295 WeakPolarHBondContact O-CB 3.47Å; L292-R295 CarbonylContact O-C 3.52Å; L292-R295 WeakPolarHBondContact O-CA 3.46Å; L292-R295 PolarHBondContact O-N 2.98Å; G293-R295 PolarHBondContact O-N 2.97Å |
| 296 | M | 51.9 | Low | 70.3 | Confident | 133 Ų | 133 | 118.5 Ų | 118.5 | 66% | 0.655 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -106.8 | -9.9 | -177 | -81.3 | -69 | -163.9 | 0 | 0 | 113.9 | L292 G293 P298 | L292-M296 HydrophobicContact CD1-CE 4.42Å; L292-M296 HydrophobicContact CD1-CG 3.81Å; L292-M296 HydrophobicContact CG-CG 3.89Å; L292-M296 WeakPolarHBondContact O-CA 3.31Å; L292-M296 WeakPolarHBondContact O-CB 3.33Å; L292-M296 PolarHBondContact O-N 3.3Å; G293-M296 PolarHBondContact O-N 2.73Å; M296-P298 WeakPolarHBondContact O-CD 3.47Å |
| 297 | T | 57.3 | Low | 69.9 | Low | 95 Ų | 95 | 120.7 Ų | 120.7 | 58% | 0.583 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -52.4 | 111.8 | 155.6 | 33.2 | 0 | 0 | 0 | 0 | 107.3 | G293 T294 N299 | G293-T297 PolarHBondContact O-N 2.9Å; G293-T297 PolarHBondContact O-OG1 3.38Å; T294-T297 PolarHBondContact O-OG1 2.9Å; T297-N299 PolarHBondContact O-N 3.34Å |
| 298 | P | 55.3 | Low | 69.3 | Low | 67 Ų | 67 | 118.3 Ų | 118.3 | 44% | 0.435 | 58% | 0.579 | S | S | . | * | trans | -62 | 128.2 | -179.8 | -19.3 | 32.6 | 0 | 0 | 0 | 107.2 | M296 Q300 R302 | M296-P298 WeakPolarHBondContact O-CD 3.47Å; P298-Q300 PolarHBondContact O-N 3.31Å; P298-R302 HydrophobicContact CB-CB 4.36Å; P298-R302 HydrophobicContact CB-CG 4.45Å | ||
| 299 | N | 62.6 | Low | 69 | Low | 105 Ų | 105 | 113.9 Ų | 113.9 | 56% | 0.561 | 57% | 0.567 | S | S | * | * | trans | -35.5 | 132.4 | 173.4 | 172.6 | -17.4 | 0 | 0 | 0 | 109.1 | T297 E301 R302 R303 | T297-N299 PolarHBondContact O-N 3.34Å; N299-E301 CarbonylContact O-C 3.55Å; N299-E301 PolarHBondContact O-N 3Å; N299-E301 WeakPolarHBondContact OD1-CB 3.48Å; N299-E301 PolarHBondContact OD1-N 3.47Å; N299-R302 HydrophobicContact CB-CB 4.4Å; N299-R302 CarbonylContact O-C 3.58Å; N299-R302 VanDerWaalsContact O-CA 3.32Å; N299-R302 WeakPolarHBondContact O-CA 3.49Å; N299-R302 WeakPolarHBondContact O-CB 3.44Å; N299-R302 PolarHBondContact O-N 3.46Å; N299-R303 PolarHBondContact O-N 3.45Å | ||
| 300 | Q | 67.3 | Low | 69 | Low | 170 Ų | 170 | 116 Ų | 116 | 79% | 0.794 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -46.6 | -35.9 | -177.1 | -176.4 | 172.6 | -10.6 | 0 | 0 | 112.3 | P298 R303 A304 | P298-Q300 PolarHBondContact O-N 3.31Å; Q300-R303 PolarHBondContact O-N 3Å; Q300-A304 WeakPolarHBondContact O-CB 3.45Å; Q300-A304 PolarHBondContact O-N 3.27Å |
| 301 | E | 65.2 | Low | 68.9 | Low | 109 Ų | 109 | 115.3 Ų | 115.3 | 51% | 0.509 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65 | -45.2 | 172.7 | -160.3 | -145 | -171.7 | 0 | 0 | 113.2 | N299 R303 A304 K305 | N299-E301 CarbonylContact O-C 3.55Å; N299-E301 PolarHBondContact O-N 3Å; N299-E301 WeakPolarHBondContact OD1-CB 3.48Å; N299-E301 PolarHBondContact OD1-N 3.47Å; E301-R303 VanDerWaalsContact C-N 3.32Å; E301-R303 PolarHBondContact O-N 2.97Å; E301-A304 PolarHBondContact O-N 2.88Å; E301-K305 VanDerWaalsContact CD-CE 3.45Å; E301-K305 WeakPolarHBondContact O-CB 3.42Å; E301-K305 VanDerWaalsContact O-CG 3.31Å; E301-K305 WeakPolarHBondContact O-CG 3.33Å; E301-K305 PolarHBondContact O-N 3.34Å; E301-K305 WeakPolarHBondContact OE1-CE 3.45Å; E301-K305 IonicContact OE1-NZ 2.76Å; E301-K305 PolarHBondContact OE1-NZ 3.04Å; E301-K305 IonicContact OE2-NZ 3.84Å; E301-K305 PolarHBondContact OE2-NZ 2.91Å |
| 302 | R | 66.3 | Low | 68.9 | Low | 165 Ų | 165 | 114.8 Ų | 114.8 | 62% | 0.623 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.1 | -35.1 | 172.4 | -169.1 | 177.9 | -178.2 | -147.6 | 1.3 | 111.7 | P298 N299 K305 M306 | P298-R302 HydrophobicContact CB-CB 4.36Å; P298-R302 HydrophobicContact CB-CG 4.45Å; N299-R302 HydrophobicContact CB-CB 4.4Å; N299-R302 CarbonylContact O-C 3.58Å; N299-R302 VanDerWaalsContact O-CA 3.32Å; N299-R302 WeakPolarHBondContact O-CA 3.49Å; N299-R302 WeakPolarHBondContact O-CB 3.44Å; N299-R302 PolarHBondContact O-N 3.46Å; R302-K305 PolarHBondContact O-N 3.26Å; R302-M306 WeakPolarHBondContact O-CB 3.36Å; R302-M306 WeakPolarHBondContact O-CG 3.4Å; R302-M306 PolarHBondContact O-N 3.07Å |
| 303 | R | 70.7 | Confident | 68.9 | Low | 188 Ų | 188 | 116.6 Ų | 116.6 | 71% | 0.709 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.6 | -38.3 | 173.6 | -164.7 | 176.8 | -175.5 | -176.7 | 1.7 | 111.6 | N299 Q300 E301 M306 K307 | N299-R303 PolarHBondContact O-N 3.45Å; Q300-R303 PolarHBondContact O-N 3Å; E301-R303 VanDerWaalsContact C-N 3.32Å; E301-R303 PolarHBondContact O-N 2.97Å; R303-M306 PolarHBondContact O-N 3.18Å; R303-K307 PolarHBondContact O-N 3.32Å |
| 304 | A | 73.8 | Confident | 69.5 | Low | 56 Ų | 56 | 121.5 Ų | 121.5 | 46% | 0.463 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.6 | -39.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q300 E301 K307 S308 | Q300-A304 WeakPolarHBondContact O-CB 3.45Å; Q300-A304 PolarHBondContact O-N 3.27Å; E301-A304 PolarHBondContact O-N 2.88Å; A304-K307 PolarHBondContact O-N 2.9Å; A304-S308 WeakPolarHBondContact O-CB 3.25Å; A304-S308 PolarHBondContact O-N 2.89Å; A304-S308 PolarHBondContact O-OG 2.9Å |
| 305 | K | 74.5 | Confident | 69.8 | Low | 113 Ų | 113 | 124.1 Ų | 124.1 | 49% | 0.491 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.1 | -41.3 | 172.1 | -72.7 | 167.6 | -179 | 171 | 0 | 111.6 | E301 R302 S308 S309 | E301-K305 VanDerWaalsContact CD-CE 3.45Å; E301-K305 WeakPolarHBondContact O-CB 3.42Å; E301-K305 VanDerWaalsContact O-CG 3.31Å; E301-K305 WeakPolarHBondContact O-CG 3.33Å; E301-K305 PolarHBondContact O-N 3.34Å; E301-K305 WeakPolarHBondContact OE1-CE 3.45Å; E301-K305 IonicContact OE1-NZ 2.76Å; E301-K305 PolarHBondContact OE1-NZ 3.04Å; E301-K305 IonicContact OE2-NZ 3.84Å; E301-K305 PolarHBondContact OE2-NZ 2.91Å; R302-K305 PolarHBondContact O-N 3.26Å; K305-S308 WeakPolarHBondContact CA-OG 3.37Å; K305-S308 PolarHBondContact O-OG 3.22Å; K305-S309 WeakPolarHBondContact O-CB 3.48Å; K305-S309 PolarHBondContact O-N 2.87Å; K305-S309 PolarHBondContact O-OG 3.11Å |
| 306 | M | 75.4 | Confident | 70 | Confident | 118 Ų | 118 | 116.5 Ų | 116.5 | 58% | 0.581 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.7 | -36 | 172.4 | -80.1 | -57.9 | -52.2 | 0 | 0 | 113.7 | R302 R303 S309 K310 | R302-M306 WeakPolarHBondContact O-CB 3.36Å; R302-M306 WeakPolarHBondContact O-CG 3.4Å; R302-M306 PolarHBondContact O-N 3.07Å; R303-M306 PolarHBondContact O-N 3.18Å; M306-S309 PolarHBondContact O-OG 3.25Å; M306-S309 VanDerWaalsContact O-OG 3.06Å; M306-K310 WeakPolarHBondContact O-CB 3.42Å; M306-K310 PolarHBondContact O-N 3Å; M306-K310 VanDerWaalsContact O-N 3.16Å |
| 307 | K | 79.1 | Confident | 70.6 | Confident | 146 Ų | 146 | 116.5 Ų | 116.5 | 64% | 0.635 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -70.4 | -50 | 177.3 | -163.1 | 178.4 | -179.4 | -173.4 | 0 | 110.7 | R303 A304 S309 K310 D311 | R303-K307 PolarHBondContact O-N 3.32Å; A304-K307 PolarHBondContact O-N 2.9Å; K307-S309 VanDerWaalsContact C-N 3.34Å; K307-S309 PolarHBondContact O-N 3.36Å; K307-K310 WeakPolarHBondContact O-CB 3.39Å; K307-K310 PolarHBondContact O-N 3.23Å; K307-K310 VanDerWaalsContact O-N 3.1Å; K307-D311 VanDerWaalsContact O-CG 3.3Å; K307-D311 PolarHBondContact O-N 3.23Å |
| 308 | S | 76.8 | Confident | 71 | Confident | 56 Ų | 56 | 115.6 Ų | 115.6 | 39% | 0.392 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.4 | -29.2 | 177.7 | 55.4 | 0 | 0 | 0 | 0 | 113.9 | A304 K305 K312 | A304-S308 WeakPolarHBondContact O-CB 3.25Å; A304-S308 PolarHBondContact O-N 2.89Å; A304-S308 PolarHBondContact O-OG 2.9Å; K305-S308 WeakPolarHBondContact CA-OG 3.37Å; K305-S308 PolarHBondContact O-OG 3.22Å; S308-K312 WeakPolarHBondContact O-CB 3.46Å; S308-K312 VanDerWaalsContact O-CG 3.25Å; S308-K312 WeakPolarHBondContact O-CG 3.44Å; S308-K312 PolarHBondContact O-N 3.47Å |
| 309 | S | 77.1 | Confident | 71.2 | Confident | 57 Ų | 57 | 118.9 Ų | 118.9 | 40% | 0.399 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.4 | -38.8 | 169.3 | 70.1 | 0 | 0 | 0 | 0 | 112 | K305 M306 K307 K312 F313 | K305-S309 WeakPolarHBondContact O-CB 3.48Å; K305-S309 PolarHBondContact O-N 2.87Å; K305-S309 PolarHBondContact O-OG 3.11Å; M306-S309 PolarHBondContact O-OG 3.25Å; M306-S309 VanDerWaalsContact O-OG 3.06Å; K307-S309 VanDerWaalsContact C-N 3.34Å; K307-S309 PolarHBondContact O-N 3.36Å; S309-K312 PolarHBondContact O-N 3.43Å; S309-F313 WeakPolarHBondContact O-CB 3.37Å; S309-F313 PolarHBondContact O-N 2.83Å |
| 310 | K | 81.9 | Confident | 70.9 | Confident | 140 Ų | 140 | 121.4 Ų | 121.4 | 61% | 0.609 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.6 | -37.6 | 174.1 | -170.2 | 167 | -174.6 | 167.9 | 0 | 112.4 | M306 K307 F313 K314 | M306-K310 WeakPolarHBondContact O-CB 3.42Å; M306-K310 PolarHBondContact O-N 3Å; M306-K310 VanDerWaalsContact O-N 3.16Å; K307-K310 WeakPolarHBondContact O-CB 3.39Å; K307-K310 PolarHBondContact O-N 3.23Å; K307-K310 VanDerWaalsContact O-N 3.1Å; K310-F313 PolarHBondContact O-N 2.81Å; K310-K314 WeakPolarHBondContact O-CG 3.4Å; K310-K314 PolarHBondContact O-N 3.27Å |
| 311 | D | 78.2 | Confident | 70.3 | Confident | 79 Ų | 79 | 118.2 Ų | 118.2 | 42% | 0.422 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -72.9 | -33.7 | 176.2 | -62.4 | -33.7 | 0 | 0 | 0 | 112 | K307 K315 | K307-D311 VanDerWaalsContact O-CG 3.3Å; K307-D311 PolarHBondContact O-N 3.23Å; D311-K315 PolarHBondContact O-N 3.46Å |
| 312 | K | 76.3 | Confident | 70.2 | Confident | 153 Ų | 153 | 118.9 Ų | 118.9 | 67% | 0.665 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.8 | -43.9 | 168 | -76.3 | 174.3 | 179.6 | -174 | 0 | 112.1 | S308 S309 K314 K315 S316 | S308-K312 WeakPolarHBondContact O-CB 3.46Å; S308-K312 VanDerWaalsContact O-CG 3.25Å; S308-K312 WeakPolarHBondContact O-CG 3.44Å; S308-K312 PolarHBondContact O-N 3.47Å; S309-K312 PolarHBondContact O-N 3.43Å; K312-K314 VanDerWaalsContact C-N 3.3Å; K312-K314 PolarHBondContact O-N 2.89Å; K312-K315 CarbonylContact O-C 3.52Å; K312-K315 WeakPolarHBondContact O-CA 3.43Å; K312-K315 WeakPolarHBondContact O-CB 3.46Å; K312-K315 PolarHBondContact O-N 3.09Å; K312-S316 PolarHBondContact O-N 3.42Å |
| 313 | F | 72.7 | Confident | 69.7 | Low | 132 Ų | 132 | 119.4 Ų | 119.4 | 58% | 0.579 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.9 | -36.6 | 178.3 | -170.9 | -95.8 | 0 | 0 | 0 | 112 | S309 K310 K315 S316 L317 | S309-F313 WeakPolarHBondContact O-CB 3.37Å; S309-F313 PolarHBondContact O-N 2.83Å; K310-F313 PolarHBondContact O-N 2.81Å; F313-K315 VanDerWaalsContact C-N 3.3Å; F313-K315 PolarHBondContact O-N 2.91Å; F313-S316 WeakPolarHBondContact CA-OG 3.48Å; F313-S316 PolarHBondContact O-N 3.29Å; F313-S316 PolarHBondContact O-OG 2.98Å; F313-L317 WeakPolarHBondContact O-CB 3.46Å; F313-L317 PolarHBondContact O-N 3.08Å; F313-L317 VanDerWaalsContact O-N 3.12Å |
| 314 | K | 75.1 | Confident | 69 | Low | 137 Ų | 137 | 120.6 Ų | 120.6 | 60% | 0.596 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.6 | -34.6 | 169.9 | -78.6 | -177.5 | 169.2 | -166.7 | 0 | 113.2 | K310 K312 L317 | K310-K314 WeakPolarHBondContact O-CG 3.4Å; K310-K314 PolarHBondContact O-N 3.27Å; K312-K314 VanDerWaalsContact C-N 3.3Å; K312-K314 PolarHBondContact O-N 2.89Å; K314-L317 PolarHBondContact O-N 3.2Å |
| 315 | K | 70 | Confident | 68 | Low | 169 Ų | 169 | 122.9 Ų | 122.9 | 74% | 0.735 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -78.7 | -21.2 | 175.7 | -72.7 | -172.8 | 173.3 | -168.2 | 0 | 114.2 | D311 K312 F313 T318 | D311-K315 PolarHBondContact O-N 3.46Å; K312-K315 CarbonylContact O-C 3.52Å; K312-K315 WeakPolarHBondContact O-CA 3.43Å; K312-K315 WeakPolarHBondContact O-CB 3.46Å; K312-K315 PolarHBondContact O-N 3.09Å; F313-K315 VanDerWaalsContact C-N 3.3Å; F313-K315 PolarHBondContact O-N 2.91Å; K315-T318 PolarHBondContact O-OG1 2.84Å |
| 316 | S | 62.9 | Low | 67.2 | Low | 59 Ų | 59 | 128.2 Ų | 128.2 | 41% | 0.413 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -87.1 | -7.8 | 169.6 | 58.3 | 0 | 0 | 0 | 0 | 113.4 | K312 F313 H321 | K312-S316 PolarHBondContact O-N 3.42Å; F313-S316 WeakPolarHBondContact CA-OG 3.48Å; F313-S316 PolarHBondContact O-N 3.29Å; F313-S316 PolarHBondContact O-OG 2.98Å; S316-H321 PolarHBondContact O-CE1 2.82Å |
| 317 | L | 65 | Low | 66.1 | Low | 132 Ų | 132 | 127.4 Ų | 127.4 | 69% | 0.691 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -94.7 | -0.6 | 176 | -156.8 | 67.9 | 0 | 0 | 0 | 112.9 | F313 K314 | F313-L317 WeakPolarHBondContact O-CB 3.46Å; F313-L317 PolarHBondContact O-N 3.08Å; F313-L317 VanDerWaalsContact O-N 3.12Å; K314-L317 PolarHBondContact O-N 3.2Å |
| 318 | T | 64.3 | Low | 65 | Low | 77 Ų | 77 | 130.5 Ų | 130.5 | 47% | 0.472 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -85.8 | 137.2 | 166.6 | 40.2 | 0 | 0 | 0 | 0 | 110.1 | K315 D320 H321 | K315-T318 PolarHBondContact O-OG1 2.84Å; T318-D320 PolarHBondContact O-N 3.37Å; T318-H321 PolarHBondContact O-ND1 2.85Å |
| 319 | P | 60.4 | Low | 64.2 | Low | 135 Ų | 135 | 133.3 Ų | 133.3 | 88% | 0.877 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -72.8 | 16.3 | -166.6 | -19.1 | 34.2 | 0 | 0 | 0 | 116.7 | ||
| 320 | D | 56.2 | Low | 63.3 | Low | 159 Ų | 159 | 136.6 Ų | 136.6 | 85% | 0.85 | 70% | 0.696 | S | S | * | * | trans | -120.9 | 47.1 | -161.9 | -151.8 | 13.4 | 0 | 0 | 0 | 110.8 | T318 | T318-D320 PolarHBondContact O-N 3.37Š| ||
| 321 | H | 54.9 | Low | 62.4 | Low | 102 Ų | 102 | 136.4 Ų | 136.4 | 47% | 0.472 | 71% | 0.706 | S | S | . | * | trans | -123.2 | 124.1 | 177.3 | 61.5 | -87.3 | 0 | 0 | 0 | 110.6 | S316 T318 E323 | S316-H321 PolarHBondContact O-CE1 2.82Å; T318-H321 PolarHBondContact O-ND1 2.85Å; H321-E323 PolarHBondContact O-N 2.95Å | ||
| 322 | T | 62.3 | Low | 61.4 | Low | 124 Ų | 124 | 142.7 Ų | 142.7 | 76% | 0.761 | 73% | 0.725 | S | S | * | * | trans | -68.6 | 113.9 | -178.8 | 36.9 | 0 | 0 | 0 | 0 | 111 | Y324 | T322-Y324 PolarHBondContact O-N 2.88Å; T322-Y324 VanDerWaalsContact O-N 3.15Å | ||
| 323 | E | 56.8 | Low | 60.8 | Low | 176 Ų | 176 | 146.2 Ų | 146.2 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | trans | -69.8 | 107.6 | -178.7 | -66.1 | -165.8 | 161.5 | 0 | 0 | 112 | H321 A325 | H321-E323 PolarHBondContact O-N 2.95Å; E323-A325 PolarHBondContact O-N 3.1Å | ||
| 324 | Y | 56.1 | Low | 60.4 | Low | 212 Ų | 212 | 144.7 Ų | 144.7 | 83% | 0.831 | 74% | 0.736 | S | S | * | * | trans | -83.4 | 106.5 | 161.7 | -77.6 | -87 | 0 | 0 | 0 | 109.2 | T322 R326 | T322-Y324 PolarHBondContact O-N 2.88Å; T322-Y324 VanDerWaalsContact O-N 3.15Å; Y324-R326 PolarHBondContact O-N 2.89Å | ||
| 325 | A | 51.9 | Low | 60.5 | Low | 105 Ų | 105 | 143 Ų | 143 | 87% | 0.868 | 74% | 0.739 | S | S | * | * | trans | -57 | 109 | -176 | 0 | 0 | 0 | 0 | 0 | 112.3 | E323 | E323-A325 PolarHBondContact O-N 3.1Š| ||
| 326 | R | 57.2 | Low | 60.6 | Low | 225 Ų | 225 | 140.5 Ų | 140.5 | 85% | 0.849 | 74% | 0.74 | S | S | * | * | trans | -83 | 120.6 | 179.1 | -170.1 | 175.7 | -179 | -129.6 | -2.3 | 110.6 | Y324 | Y324-R326 PolarHBondContact O-N 2.89Š| ||
| 327 | S | 52.2 | Low | 60.6 | Low | 100 Ų | 100 | 147.3 Ų | 147.3 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | -64.8 | 141.2 | -176.1 | 39 | 0 | 0 | 0 | 0 | 113.6 | T329 | S327-T329 PolarHBondContact O-N 3.4Å; S327-T329 VanDerWaalsContact O-N 3.09Å | ||
| 328 | K | 57.7 | Low | 60.6 | Low | 211 Ų | 211 | 145.9 Ų | 145.9 | 92% | 0.917 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -85.6 | 57.1 | -169.8 | -62.7 | -177 | -179.8 | 178.6 | 0 | 113.8 | ||
| 329 | T | 59 | Low | 60.2 | Low | 115 Ų | 115 | 150.9 Ų | 150.9 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -132.7 | 106.4 | 173.6 | 50.8 | 0 | 0 | 0 | 0 | 112.1 | S327 | S327-T329 PolarHBondContact O-N 3.4Å; S327-T329 VanDerWaalsContact O-N 3.09Å | ||
| 330 | T | 58.2 | Low | 60.1 | Low | 127 Ų | 127 | 152.2 Ų | 152.2 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | trans | -119.2 | 85.2 | 175.8 | 55.1 | 0 | 0 | 0 | 0 | 110.2 | Y332 | T330-Y332 PolarHBondContact O-N 3.25Š| ||
| 331 | V | 63.3 | Low | 59.9 | Low | 136 Ų | 136 | 150.1 Ų | 150.1 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | trans | -74.3 | 112.4 | 177.2 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | R333 | V331-R333 PolarHBondContact O-N 3.16Å; V331-R333 VanDerWaalsContact O-N 3.17Å | ||
| 332 | Y | 56.2 | Low | 60.2 | Low | 210 Ų | 210 | 154.5 Ų | 154.5 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -81.3 | 93.1 | 179.4 | -163.5 | -88.3 | 0 | 0 | 0 | 110.4 | T330 V334 | T330-Y332 PolarHBondContact O-N 3.25Å; Y332-V334 HydrophobicContact CD1-CG2 4.09Å; Y332-V334 HydrophobicContact CE1-CG2 4.25Å; Y332-V334 PolarHBondContact O-N 3.06Å | ||
| 333 | R | 63.9 | Low | 60.1 | Low | 228 Ų | 228 | 158.3 Ų | 158.3 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -82.8 | 101.7 | 180 | -167.6 | -178.6 | -170.7 | -164.9 | 3.5 | 110.8 | V331 | V331-R333 PolarHBondContact O-N 3.16Å; V331-R333 VanDerWaalsContact O-N 3.17Å | ||
| 334 | V | 65.1 | Low | 59.8 | Low | 100 Ų | 100 | 157.8 Ų | 157.8 | 61% | 0.606 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 127.8 | 171.8 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | Y332 | Y332-V334 HydrophobicContact CD1-CG2 4.09Å; Y332-V334 HydrophobicContact CE1-CG2 4.25Å; Y332-V334 PolarHBondContact O-N 3.06Å |
| 335 | P | 77.8 | Confident | 59.2 | Low | 102 Ų | 102 | 159 Ų | 159 | 66% | 0.662 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 142.7 | 172.9 | -21.3 | 33.8 | 0 | 0 | 0 | 111.5 | F337 | P335-F337 PolarHBondContact O-N 2.83Š|
| 336 | P | 71.8 | Confident | 58.5 | Low | 116 Ų | 116 | 163.3 Ų | 163.3 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 133.3 | 179.8 | 27.7 | -34.2 | 0 | 0 | 0 | 111.4 | ||
| 337 | F | 63.6 | Low | 58.2 | Low | 201 Ų | 201 | 156.2 Ų | 156.2 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 131.8 | 170.2 | -95.3 | -106.4 | 0 | 0 | 0 | 110.5 | P335 | P335-F337 PolarHBondContact O-N 2.83Š|
| 338 | T | 64.3 | Low | 57.2 | Low | 103 Ų | 103 | 160.8 Ų | 160.8 | 63% | 0.632 | 80% | 0.799 | S | S | * | * | trans | -118.1 | 105.3 | 175.7 | 47.1 | 0 | 0 | 0 | 0 | 110.6 | H340 | T338-H340 PolarHBondContact O-ND1 3.37Š| ||
| 339 | F | 55.5 | Low | 56.8 | Low | 182 Ų | 182 | 160 Ų | 160 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | trans | -77.4 | 130.4 | 174.6 | 58.1 | -90.4 | 0 | 0 | 0 | 110 | V341 | F339-V341 HydrophobicContact CD2-CG2 3.79Å; F339-V341 HydrophobicContact CE2-CG2 4.13Å | ||
| 340 | H | 58.3 | Low | 55.9 | Low | 163 Ų | 163 | 163.2 Ų | 163.2 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -105.9 | 89.7 | -175.8 | -73.9 | 69.3 | 0 | 0 | 0 | 110.4 | T338 K342 | T338-H340 PolarHBondContact O-ND1 3.37Å; H340-K342 PolarHBondContact O-N 2.96Å; H340-K342 VanDerWaalsContact O-N 3.14Å | ||
| 341 | V | 53.1 | Low | 55.3 | Low | 115 Ų | 115 | 163.9 Ų | 163.9 | 70% | 0.697 | 81% | 0.81 | S | S | * | * | trans | -76.5 | 99.1 | 175 | -168.8 | 0 | 0 | 0 | 0 | 109.7 | F339 K343 | F339-V341 HydrophobicContact CD2-CG2 3.79Å; F339-V341 HydrophobicContact CE2-CG2 4.13Å; V341-K343 PolarHBondContact O-N 3.18Å; V341-K343 VanDerWaalsContact O-N 3.08Å | ||
| 342 | K | 60.2 | Low | 53.9 | Low | 194 Ų | 194 | 162.8 Ų | 162.8 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -66.1 | 104.1 | 163.9 | -90.5 | -170.7 | 170.7 | -171.8 | 0 | 108.9 | H340 I344 | H340-K342 PolarHBondContact O-N 2.96Å; H340-K342 VanDerWaalsContact O-N 3.14Å; K342-I344 PolarHBondContact O-N 2.91Å; K342-I344 VanDerWaalsContact O-N 3.11Å | ||
| 343 | K | 59.5 | Low | 53.1 | Low | 203 Ų | 203 | 161.4 Ų | 161.4 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -69.8 | 99.8 | 160.1 | -81.5 | -168.8 | 172.9 | -173.4 | 0 | 108.6 | V341 | V341-K343 PolarHBondContact O-N 3.18Å; V341-K343 VanDerWaalsContact O-N 3.08Å | ||
| 344 | I | 51.5 | Low | 51.7 | Low | 165 Ų | 165 | 158 Ų | 158 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -66.3 | 129.5 | 159.7 | 31.4 | 175 | 0 | 0 | 0 | 108.6 | K342 | K342-I344 PolarHBondContact O-N 2.91Å; K342-I344 VanDerWaalsContact O-N 3.11Å | ||
| 345 | R | 42.6 | Very low | 50.4 | Low | 239 Ų | 239 | 160 Ų | 160 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -107.9 | 147.7 | 166 | -176 | 175.4 | -174.4 | 157.9 | 3.3 | 106.6 | ||||
| 346 | E | 38.6 | Very low | 48.3 | Very low | 194 Ų | 194 | 163.1 Ų | 163.1 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -58.3 | 138.7 | -179 | -63.5 | 166.2 | 110.8 | 0 | 0 | 112.2 | ||
| 347 | G | 50 | Low | 46.5 | Very low | 77 Ų | 77 | 166.2 Ų | 166.2 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | S | Bend | trans | 89.7 | 52.5 | 148.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 348 | E | 32 | Very low | 45 | Very low | 195 Ų | 195 | 162.3 Ų | 162.3 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | -152.8 | 135.3 | 148.1 | -142.9 | 163.4 | -166 | 0 | 0 | 111.1 | ||||
| 349 | E | 49.4 | Very low | 43.6 | Very low | 195 Ų | 195 | 165.3 Ų | 165.3 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | trans | -91.9 | 121.3 | 176 | -68.8 | -174.8 | 116.5 | 0 | 0 | 110.3 | ||||
| 350 | E | 38.5 | Very low | 42.4 | Very low | 182 Ų | 182 | 162.2 Ų | 162.2 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | trans | -127.5 | 124.9 | 163.9 | -164.5 | 177.6 | -143.9 | 0 | 0 | 110.5 | V352 | E350-V352 PolarHBondContact O-N 2.83Š| ||
| 351 | V | 46.4 | Very low | 41.2 | Very low | 142 Ų | 142 | 160.2 Ų | 160.2 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | trans | -86.5 | 106 | -166.8 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 352 | V | 34.2 | Very low | 40.2 | Very low | 113 Ų | 113 | 163.7 Ų | 163.7 | 69% | 0.685 | 83% | 0.831 | S | S | * | * | trans | -125 | 96.4 | 170.4 | -176.1 | 0 | 0 | 0 | 0 | 111.2 | E350 N354 | E350-V352 PolarHBondContact O-N 2.83Å; V352-N354 PolarHBondContact O-N 3.4Å | ||
| 353 | Q | 40 | Very low | 38.7 | Very low | 181 Ų | 181 | 157.5 Ų | 157.5 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | 20.2 | 83.4 | 152 | -64.7 | 179.8 | -7.8 | 0 | 0 | 116.5 | ||||
| 354 | N | 33.3 | Very low | 37.4 | Very low | 157 Ų | 157 | 156.4 Ų | 156.4 | 84% | 0.84 | 82% | 0.82 | S | S | * | * | trans | -65.4 | 132.6 | 155.6 | -79.5 | -46.9 | 0 | 0 | 0 | 109.1 | V352 E356 | V352-N354 PolarHBondContact O-N 3.4Å; N354-E356 PolarHBondContact O-N 3Å | ||
| 355 | T | 39 | Very low | 36.3 | Very low | 142 Ų | 142 | 155.6 Ų | 155.6 | 87% | 0.871 | 82% | 0.823 | S | S | * | * | trans | -77.6 | 80.9 | 170.7 | -53.4 | 0 | 0 | 0 | 0 | 108.5 | M357 | T355-M357 PolarHBondContact O-N 3.44Š| ||
| 356 | E | 33.8 | Very low | 35.8 | Very low | 166 Ų | 166 | 152.1 Ų | 152.1 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -66.7 | 131.1 | -179.4 | -169.4 | 169.3 | -178.2 | 0 | 0 | 111.4 | N354 V358 | N354-E356 PolarHBondContact O-N 3Å; E356-V358 VanDerWaalsContact C-N 3.34Å; E356-V358 PolarHBondContact O-N 2.98Å | ||
| 357 | M | 32.9 | Very low | 35.6 | Very low | 181 Ų | 181 | 149 Ų | 149 | 89% | 0.892 | 81% | 0.814 | S | S | * | * | trans | -80.2 | 83 | 176.2 | -75.5 | -83.4 | -71.8 | 0 | 0 | 108.9 | T355 E359 | T355-M357 PolarHBondContact O-N 3.44Å; M357-E359 PolarHBondContact O-N 2.97Å; M357-E359 VanDerWaalsContact O-N 3.12Å | ||
| 358 | V | 32.7 | Very low | 34.9 | Very low | 120 Ų | 120 | 154.6 Ų | 154.6 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | trans | -55.3 | 117.2 | -179.7 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | E356 | E356-V358 VanDerWaalsContact C-N 3.34Å; E356-V358 PolarHBondContact O-N 2.98Å | ||
| 359 | E | 33.4 | Very low | 34.8 | Very low | 165 Ų | 165 | 148.9 Ų | 148.9 | 77% | 0.771 | 81% | 0.813 | S | S | * | * | trans | -69.4 | 133.7 | 173.9 | -172 | 166.7 | -151.5 | 0 | 0 | 110.2 | M357 T361 | M357-E359 PolarHBondContact O-N 2.97Å; M357-E359 VanDerWaalsContact O-N 3.12Å; E359-T361 PolarHBondContact O-N 3.29Å; E359-T361 VanDerWaalsContact O-N 3.11Å | ||
| 360 | V | 30.9 | Very low | 34.2 | Very low | 118 Ų | 118 | 148.1 Ų | 148.1 | 72% | 0.715 | 81% | 0.809 | S | S | * | * | trans | -89.8 | 81.5 | -169.4 | -174.6 | 0 | 0 | 0 | 0 | 111.1 | E362 | V360-E362 HydrophobicContact CG1-CG 4.01Š| ||
| 361 | T | 33.1 | Very low | 33.9 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | -97.7 | 81.3 | 166.1 | 52.2 | 0 | 0 | 0 | 0 | 110.7 | E359 G363 | E359-T361 PolarHBondContact O-N 3.29Å; E359-T361 VanDerWaalsContact O-N 3.11Å; T361-G363 PolarHBondContact O-N 3.44Å | ||
| 362 | E | 31.3 | Very low | 33.3 | Very low | 187 Ų | 187 | 143.2 Ų | 143.2 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -85.3 | 90.4 | 177.8 | -78.2 | -172.6 | 170.9 | 0 | 0 | 113 | V360 | V360-E362 HydrophobicContact CG1-CG 4.01Š| ||
| 363 | G | 30.6 | Very low | 33.2 | Very low | 65 Ų | 65 | 146.6 Ų | 146.6 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | trans | -122.4 | 154.7 | 139.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | T361 | T361-G363 PolarHBondContact O-N 3.44Š| ||
| 364 | E | 30.5 | Very low | 32.8 | Very low | 179 Ų | 179 | 141.9 Ų | 141.9 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | cis | -147 | 175.3 | 4.2 | -56.2 | 177.3 | 96 | 0 | 0 | 109.2 | ||||
| 365 | T | 28.5 | Very low | 32.6 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 91% | 0.908 | 82% | 0.815 | S | S | * | * | trans | -168.4 | 147.4 | 133.9 | 9.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 366 | Q | 32 | Very low | 32.1 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | trans | -86.2 | 172.9 | 178.4 | -61.3 | 176.9 | -4.1 | 0 | 0 | 112.6 | ||||
| 367 | P | 35.8 | Very low | 31.9 | Very low | 128 Ų | 128 | 141.6 Ų | 141.6 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | -117.1 | 161.8 | 123.2 | 35.2 | -34.5 | 0 | 0 | 0 | 112.7 | |||||
| 368 | E | 34.7 | Very low | 31.9 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | -69.4 | 158.7 | -166.9 | -55.1 | -178.8 | 135.4 | 0 | 0 | 115.7 | ||||
| 369 | G | 29.9 | Very low | 31.9 | Very low | 75 Ų | 75 | 141 Ų | 141 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 176.4 | 107.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 370 | E | 37.4 | Very low | 31.9 | Very low | 179 Ų | 179 | 142 Ų | 142 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -39.3 | 134.4 | -178.2 | -60.8 | 172.5 | 107.8 | 0 | 0 | 116.5 | ||||
| 371 | N | 32.3 | Very low | 32.2 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 81% | 0.807 | 82% | 0.818 | S | S | * | * | 162.1 | 119.7 | 106.6 | -89.1 | -70.6 | 0 | 0 | 0 | 114.4 | |||||
| 372 | G | 32.8 | Very low | 32.2 | Very low | 70 Ų | 70 | 143.6 Ų | 143.6 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | trans | 83.1 | 121.5 | 131.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 373 | L | 32.8 | Very low | 32.4 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 96% | 0.963 | 82% | 0.818 | S | S | * | * | trans | 65.3 | 96.9 | 144.6 | -56.4 | 171 | 0 | 0 | 0 | 118.2 | ||||
| 374 | G | 30.9 | Very low | 32.7 | Very low | 82 Ų | 82 | 148.1 Ų | 148.1 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | trans | -94.1 | -169.7 | 170 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 375 | M | 29.7 | Very low | 33.2 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | trans | -154.2 | 132.9 | 161.2 | -170.1 | 76.1 | 117.9 | 0 | 0 | 107.9 | ||||
| 376 | H | 27.3 | Very low | 33.6 | Very low | 157 Ų | 157 | 146 Ų | 146 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | -88.6 | 134.2 | 175 | -147.1 | -104.2 | 0 | 0 | 0 | 109.1 | E378 | H376-E378 IonicContact CE1-OE1 2.65Å; H376-E378 IonicContact ND1-OE1 2.61Å | ||
| 377 | V | 29.3 | Very low | 34.2 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | trans | -141.3 | 118.6 | 166.8 | -179.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 378 | E | 33.6 | Very low | 34.8 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 73% | 0.729 | 82% | 0.824 | S | S | * | * | trans | -92.6 | 142.7 | 177 | -63.1 | 168 | 155.3 | 0 | 0 | 109.4 | H376 | H376-E378 IonicContact CE1-OE1 2.65Å; H376-E378 IonicContact ND1-OE1 2.61Å | ||
| 379 | V | 32.4 | Very low | 35.3 | Very low | 133 Ų | 133 | 139 Ų | 139 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | trans | -140.1 | 94.4 | 165.3 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 380 | E | 34.2 | Very low | 36.1 | Very low | 185 Ų | 185 | 140.7 Ų | 140.7 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | 16.2 | 124.5 | 138.3 | -153.3 | 161.3 | -158.7 | 0 | 0 | 118.1 | ||||
| 381 | E | 36.9 | Very low | 36.7 | Very low | 200 Ų | 200 | 141 Ų | 141 | 94% | 0.935 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69 | 138.9 | 176.4 | -70.5 | -174.4 | 109.8 | 0 | 0 | 112.6 | ||
| 382 | G | 34.3 | Very low | 37.5 | Very low | 73 Ų | 73 | 140.6 Ų | 140.6 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 130.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 383 | E | 35.4 | Very low | 38 | Very low | 184 Ų | 184 | 144.5 Ų | 144.5 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 134.7 | -178.9 | -170.1 | 176 | 173.7 | 0 | 0 | 113.5 | V385 | E383-V385 PolarHBondContact O-N 3.05Š|
| 384 | L | 35.8 | Very low | 38.5 | Very low | 164 Ų | 164 | 138 Ų | 138 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | trans | -81.1 | 103.4 | 177.3 | -75.4 | 169.9 | 0 | 0 | 0 | 110.9 | ||||
| 385 | V | 40.4 | Very low | 38.8 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | trans | -71.8 | 128.4 | 178.1 | -168.9 | 0 | 0 | 0 | 0 | 110.7 | E383 | E383-V385 PolarHBondContact O-N 3.05Š| ||
| 386 | N | 38.3 | Very low | 39.4 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | trans | -68.3 | 132.1 | 178.7 | -76.6 | -84.1 | 0 | 0 | 0 | 111.5 | D388 | N386-D388 PolarHBondContact O-N 3.15Š| ||
| 387 | V | 44.1 | Very low | 40.2 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -96.9 | 62.1 | -179.9 | -167.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 388 | D | 47.7 | Very low | 40.9 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | trans | -149.7 | 105.3 | 161.9 | -155.8 | 5.3 | 0 | 0 | 0 | 109.1 | N386 | N386-D388 PolarHBondContact O-N 3.15Š| ||
| 389 | G | 45.4 | Very low | 41.2 | Very low | 45 Ų | 45 | 137.1 Ų | 137.1 | 46% | 0.464 | 76% | 0.759 | S | S | . | * | trans | -166.3 | 147 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E391 | G389-E391 PolarHBondContact O-N 2.94Š| ||
| 390 | P | 46.8 | Very low | 41.7 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -72.3 | -5 | -159.8 | 28.1 | -36.7 | 0 | 0 | 0 | 115.7 | M392 Q393 | P390-M392 PolarHBondContact O-N 3Å; P390-Q393 PolarHBondContact O-N 3.12Å |
| 391 | E | 51.5 | Low | 42.1 | Very low | 185 Ų | 185 | 138.9 Ų | 138.9 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -69.6 | -18.5 | -179.3 | -63.4 | -166.1 | 141.1 | 0 | 0 | 113.4 | G389 | G389-E391 PolarHBondContact O-N 2.94Š|
| 392 | M | 48 | Very low | 42.3 | Very low | 142 Ų | 142 | 135 Ų | 135 | 70% | 0.7 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -78.3 | -14.5 | 178.3 | -138.7 | -161 | -51.7 | 0 | 0 | 114.3 | P390 | P390-M392 PolarHBondContact O-N 3Š|
| 393 | Q | 43.8 | Very low | 42.4 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 72% | 0.715 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -64.8 | -39.7 | 172 | -108 | 82.7 | 35.8 | 0 | 0 | 111.7 | P390 L395 | P390-Q393 PolarHBondContact O-N 3.12Å; Q393-L395 PolarHBondContact O-N 3.29Å; Q393-L395 VanDerWaalsContact O-N 3.14Å |
| 394 | G | 43.1 | Very low | 42.3 | Very low | 46 Ų | 46 | 139 Ų | 139 | 47% | 0.474 | 76% | 0.762 | S | S | . | * | G | 310 helix | trans | -74.5 | -0.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 395 | L | 37.9 | Very low | 42.2 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -106.6 | -6.5 | -176.7 | -143.1 | 74.9 | 0 | 0 | 0 | 114.1 | Q393 | Q393-L395 PolarHBondContact O-N 3.29Å; Q393-L395 VanDerWaalsContact O-N 3.14Å |
| 396 | V | 41.7 | Very low | 41.8 | Very low | 111 Ų | 111 | 140 Ų | 140 | 67% | 0.673 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -26.1 | 179.9 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | I398 | V396-I398 VanDerWaalsContact C-N 3.3Å; V396-I398 PolarHBondContact O-N 3.43Å |
| 397 | E | 43.8 | Very low | 41.7 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 7.7 | -169.9 | -133.1 | 171.2 | -157.5 | 0 | 0 | 114.8 | ||
| 398 | I | 43.9 | Very low | 41.4 | Very low | 131 Ų | 131 | 140 Ų | 140 | 67% | 0.672 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | 3.9 | -167.4 | -63.2 | 178.8 | 0 | 0 | 0 | 113.1 | V396 | V396-I398 VanDerWaalsContact C-N 3.3Å; V396-I398 PolarHBondContact O-N 3.43Å |
| 399 | T | 41 | Very low | 41.2 | Very low | 119 Ų | 119 | 138 Ų | 138 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | trans | -127.7 | 22.6 | -174.1 | 56.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 400 | E | 42.3 | Very low | 40.7 | Very low | 189 Ų | 189 | 143.6 Ų | 143.6 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | trans | -87.7 | -17.1 | 175.7 | -63.1 | -152 | 132.7 | 0 | 0 | 114.5 | S402 | E400-S402 PolarHBondContact O-N 3.49Š| ||
| 401 | D | 42.8 | Very low | 40.2 | Very low | 166 Ų | 166 | 146.5 Ų | 146.5 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | trans | -83.6 | 90.9 | 176.3 | -89.1 | -41.4 | 0 | 0 | 0 | 112.3 | ||||
| 402 | S | 41.2 | Very low | 39.6 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -148.3 | 132.3 | 161.9 | -83.1 | 0 | 0 | 0 | 0 | 112.7 | E400 L404 | E400-S402 PolarHBondContact O-N 3.49Å; S402-L404 PolarHBondContact O-N 3.21Å | ||
| 403 | Q | 35.7 | Very low | 39.3 | Very low | 188 Ų | 188 | 148.6 Ų | 148.6 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | trans | -69.3 | 129.4 | -158.5 | -69 | 173.2 | -17.2 | 0 | 0 | 114.4 | V405 | Q403-V405 PolarHBondContact O-N 3.22Š| ||
| 404 | L | 33.9 | Very low | 39.2 | Very low | 153 Ų | 153 | 151 Ų | 151 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | trans | -69.9 | 95.1 | 172.6 | -172.2 | 79.3 | 0 | 0 | 0 | 111 | S402 R406 | S402-L404 PolarHBondContact O-N 3.21Å; L404-R406 HydrophobicContact CD2-CG 4.48Å; L404-R406 PolarHBondContact O-N 3.19Å | ||
| 405 | V | 32.3 | Very low | 39.1 | Very low | 125 Ų | 125 | 156 Ų | 156 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | trans | -71.3 | 93.8 | 173.7 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | Q403 | Q403-V405 PolarHBondContact O-N 3.22Š| ||
| 406 | R | 33.2 | Very low | 39.3 | Very low | 192 Ų | 192 | 152.3 Ų | 152.3 | 73% | 0.725 | 80% | 0.798 | S | S | * | * | trans | -66.9 | 128.3 | 165.9 | -75.9 | -174.1 | 171.6 | -161.8 | -0.2 | 109.9 | L404 | L404-R406 HydrophobicContact CD2-CG 4.48Å; L404-R406 PolarHBondContact O-N 3.19Å | ||
| 407 | V | 36.5 | Very low | 39.2 | Very low | 131 Ų | 131 | 152.8 Ų | 152.8 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -105.6 | 111.6 | 163.3 | 179.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 408 | E | 35.8 | Very low | 38.9 | Very low | 155 Ų | 155 | 157 Ų | 157 | 72% | 0.724 | 83% | 0.826 | S | S | * | * | trans | -87.1 | 132.5 | 175.4 | -63.9 | -158.7 | 159.7 | 0 | 0 | 111 | ||||
| 409 | P | 44.4 | Very low | 38.7 | Very low | 120 Ų | 120 | 158.4 Ų | 158.4 | 78% | 0.779 | 83% | 0.833 | S | S | * | * | trans | -89.6 | 131.4 | 168.1 | 34.1 | -29.9 | 0 | 0 | 0 | 110.8 | ||||
| 410 | E | 34.3 | Very low | 38.5 | Very low | 163 Ų | 163 | 160.4 Ų | 160.4 | 76% | 0.762 | 84% | 0.839 | S | S | * | * | trans | -177.9 | -179.2 | 148.7 | -109.3 | -53.4 | 146.1 | 0 | 0 | 110.5 | ||||
| 411 | H | 37.1 | Very low | 38.3 | Very low | 173 Ų | 173 | 158.8 Ų | 158.8 | 80% | 0.801 | 84% | 0.836 | S | S | * | * | trans | 93.5 | 40.2 | 176 | -50.1 | 97.6 | 0 | 0 | 0 | 117.3 | K413 | H411-K413 PolarHBondContact O-N 2.86Š| ||
| 412 | L | 39 | Very low | 38.1 | Very low | 179 Ų | 179 | 158.4 Ų | 158.4 | 94% | 0.937 | 83% | 0.833 | S | S | * | * | trans | -74.6 | 95.7 | 152.3 | -96.6 | 170.2 | 0 | 0 | 0 | 109.8 | ||||
| 413 | K | 42.4 | Very low | 37.9 | Very low | 192 Ų | 192 | 160.9 Ų | 160.9 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | trans | -115.7 | 125.1 | 177 | -146.5 | 169.4 | -169.8 | 172.6 | 0 | 112.3 | H411 | H411-K413 PolarHBondContact O-N 2.86Š| ||
| 414 | K | 41.6 | Very low | 38 | Very low | 203 Ų | 203 | 159.1 Ų | 159.1 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | trans | -40.1 | 136.2 | -175.5 | -61.3 | 172.7 | 176.7 | 179.1 | 0 | 114.9 | ||||
| 415 | V | 39.2 | Very low | 38.3 | Very low | 150 Ų | 150 | 159.6 Ų | 159.6 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | trans | -128.2 | 137.5 | 146.1 | -180 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 416 | G | 42.2 | Very low | 38.8 | Very low | 65 Ų | 65 | 162.2 Ų | 162.2 | 67% | 0.67 | 84% | 0.839 | S | S | * | * | trans | -174.8 | 138.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 417 | S | 40.3 | Very low | 39.2 | Very low | 120 Ų | 120 | 159.8 Ų | 159.8 | 84% | 0.839 | 85% | 0.848 | S | S | * | * | trans | 59.5 | 133.4 | -156.8 | -88.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 418 | E | 37.9 | Very low | 39.5 | Very low | 266 Ų | 266 | 162.4 Ų | 162.4 | 100% | 1.243 | 85% | 0.853 | S | S | * | * | cis | -97.8 | 0 | 24.8 | -84.3 | 171.5 | 135.3 | 0 | 0 | 117.2 |
Retrieved 418 of 418 residues in 330 ms
(Link to these results)