| 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 | 49.8 | Very low | 52.5 | Low | 196 Ų | 196 | 124 Ų | 124 | 97% | 0.966 | 63% | 0.632 | S | S | * | * | 0 | -48.9 | 0 | -60.3 | -53.5 | -158.1 | 0 | 0 | 111 | |||||
| 2 | S | 51.8 | Low | 51.7 | Low | 91 Ų | 91 | 124.7 Ų | 124.7 | 64% | 0.636 | 63% | 0.631 | S | S | * | * | trans | -89.4 | -31 | 179 | -57.5 | 0 | 0 | 0 | 0 | 115.5 | T6 | S2-T6 PolarHBondContact O-N 3.4Å; S2-T6 PolarHBondContact O-OG1 3.45Å | ||
| 3 | D | 48.1 | Very low | 51.7 | Low | 137 Ų | 137 | 127.5 Ų | 127.5 | 73% | 0.733 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72.1 | -32.4 | 178.2 | -72.8 | -49.7 | 0 | 0 | 0 | 112.9 | E5 T6 E7 | D3-E5 VanDerWaalsContact C-N 3.31Å; D3-T6 WeakPolarHBondContact CA-OG1 3.44Å; D3-T6 PolarHBondContact O-N 3.42Å; D3-T6 PolarHBondContact O-OG1 3Å; D3-E7 PolarHBondContact O-N 3.32Å; D3-E7 VanDerWaalsContact O-N 3.16Å |
| 4 | E | 51.4 | Low | 51.5 | Low | 121 Ų | 121 | 128.6 Ų | 128.6 | 57% | 0.565 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -74.6 | -25 | -179.5 | -159 | 168.7 | -165.1 | 0 | 0 | 111.7 | Q8 | E4-Q8 WeakPolarHBondContact O-CG 3.41Å; E4-Q8 PolarHBondContact O-N 3.33Å |
| 5 | E | 54.8 | Low | 51.3 | Low | 129 Ų | 129 | 129.7 Ų | 129.7 | 60% | 0.603 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -80.7 | -29.9 | 176.3 | -155.9 | 175.7 | -166.1 | 0 | 0 | 111 | D3 V9 | D3-E5 VanDerWaalsContact C-N 3.31Å; E5-V9 WeakPolarHBondContact O-CG2 3.48Å; E5-V9 PolarHBondContact O-N 3.02Å |
| 6 | T | 49.8 | Very low | 51 | Low | 83 Ų | 83 | 129 Ų | 129 | 51% | 0.509 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -75.6 | -35.4 | 173.3 | 43.1 | 0 | 0 | 0 | 0 | 112.9 | S2 D3 V9 E10 | S2-T6 PolarHBondContact O-N 3.4Å; S2-T6 PolarHBondContact O-OG1 3.45Å; D3-T6 WeakPolarHBondContact CA-OG1 3.44Å; D3-T6 PolarHBondContact O-N 3.42Å; D3-T6 PolarHBondContact O-OG1 3Å; T6-V9 PolarHBondContact O-N 2.99Å; T6-E10 PolarHBondContact O-N 3.4Å; T6-E10 VanDerWaalsContact O-N 3.09Å |
| 7 | E | 55 | Low | 50.7 | Low | 138 Ų | 138 | 129.8 Ų | 129.8 | 65% | 0.645 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67 | -40.6 | 177 | -134.8 | 169.6 | -173.4 | 0 | 0 | 110.8 | D3 V9 E10 E11 | D3-E7 PolarHBondContact O-N 3.32Å; D3-E7 VanDerWaalsContact O-N 3.16Å; E7-V9 VanDerWaalsContact C-N 3.3Å; E7-V9 PolarHBondContact O-N 3.46Å; E7-E10 PolarHBondContact O-N 3.33Å; E7-E11 PolarHBondContact O-N 3.06Å |
| 8 | Q | 52.6 | Low | 50.3 | Low | 117 Ų | 117 | 130.7 Ų | 130.7 | 55% | 0.547 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.3 | -30.2 | 174.5 | -81.4 | 176 | 17 | 0 | 0 | 113.8 | E4 Q12 | E4-Q8 WeakPolarHBondContact O-CG 3.41Å; E4-Q8 PolarHBondContact O-N 3.33Å; Q8-Q12 WeakPolarHBondContact O-CB 3.47Å; Q8-Q12 WeakPolarHBondContact O-CG 3.42Å; Q8-Q12 PolarHBondContact O-N 3.09Å; Q8-Q12 VanDerWaalsContact O-N 3.13Å |
| 9 | V | 57 | Low | 49.9 | Very low | 74 Ų | 74 | 127 Ų | 127 | 45% | 0.448 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -77.7 | -36 | 177.6 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | E5 T6 E7 Y13 | E5-V9 WeakPolarHBondContact O-CG2 3.48Å; E5-V9 PolarHBondContact O-N 3.02Å; T6-V9 PolarHBondContact O-N 2.99Å; E7-V9 VanDerWaalsContact C-N 3.3Å; E7-V9 PolarHBondContact O-N 3.46Å; V9-Y13 HydrophobicContact CG1-CD2 4.06Å; V9-Y13 HydrophobicContact CG1-CE2 4.24Å; V9-Y13 WeakPolarHBondContact O-CD2 3.46Å; V9-Y13 PolarHBondContact O-N 3.11Å; V9-Y13 VanDerWaalsContact O-N 3.17Å |
| 10 | E | 53.5 | Low | 49.4 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 66% | 0.659 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.1 | -42.5 | 172.5 | -93.4 | 179.9 | 158.7 | 0 | 0 | 111.9 | T6 E7 Q12 Y13 E14 | T6-E10 PolarHBondContact O-N 3.4Å; T6-E10 VanDerWaalsContact O-N 3.09Å; E7-E10 PolarHBondContact O-N 3.33Å; E10-Q12 PolarHBondContact O-N 2.92Å; E10-Y13 PolarHBondContact O-N 3.23Å; E10-E14 PolarHBondContact O-N 3.38Å |
| 11 | E | 53.3 | Low | 48.9 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 64% | 0.64 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -61.5 | -41.3 | 175.8 | -118.2 | 177.6 | 175.2 | 0 | 0 | 111.9 | E7 Y13 E14 E15 | E7-E11 PolarHBondContact O-N 3.06Å; E11-Y13 VanDerWaalsContact C-N 3.33Å; E11-Y13 PolarHBondContact O-N 2.65Å; E11-E14 PolarHBondContact O-N 2.88Å; E11-E15 WeakPolarHBondContact O-CB 2.74Å; E11-E15 PolarHBondContact O-N 3.18Å; E11-E15 VanDerWaalsContact O-N 3.1Å |
| 12 | Q | 43.5 | Very low | 48.3 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 62% | 0.617 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66 | -32.5 | 175.7 | -85.6 | -175.9 | -11.9 | 0 | 0 | 113.5 | Q8 E10 E16 | Q8-Q12 WeakPolarHBondContact O-CB 3.47Å; Q8-Q12 WeakPolarHBondContact O-CG 3.42Å; Q8-Q12 PolarHBondContact O-N 3.09Å; Q8-Q12 VanDerWaalsContact O-N 3.13Å; E10-Q12 PolarHBondContact O-N 2.92Å; Q12-E16 WeakPolarHBondContact O-CB 3.43Å; Q12-E16 PolarHBondContact O-N 3.01Å |
| 13 | Y | 51.3 | Low | 47.6 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 63% | 0.631 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -76.4 | -34.4 | 178.6 | -99.8 | -81.7 | 0 | 0 | 0 | 112.5 | V9 E10 E11 E17 | V9-Y13 HydrophobicContact CG1-CD2 4.06Å; V9-Y13 HydrophobicContact CG1-CE2 4.24Å; V9-Y13 WeakPolarHBondContact O-CD2 3.46Å; V9-Y13 PolarHBondContact O-N 3.11Å; V9-Y13 VanDerWaalsContact O-N 3.17Å; E10-Y13 PolarHBondContact O-N 3.23Å; E11-Y13 VanDerWaalsContact C-N 3.33Å; E11-Y13 PolarHBondContact O-N 2.65Å; Y13-E17 PolarHBondContact O-N 3.2Å |
| 14 | E | 49.2 | Very low | 47 | Very low | 143 Ų | 143 | 132.6 Ų | 132.6 | 67% | 0.668 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70.5 | -39.7 | 174.2 | -78.1 | -175.1 | 160.6 | 0 | 0 | 111.6 | E10 E11 E16 E17 E18 | E10-E14 PolarHBondContact O-N 3.38Å; E11-E14 PolarHBondContact O-N 2.88Å; E14-E16 VanDerWaalsContact C-N 3.33Å; E14-E16 PolarHBondContact O-N 3.29Å; E14-E17 PolarHBondContact O-N 3.34Å; E14-E18 PolarHBondContact O-N 3.39Å |
| 15 | E | 48.1 | Very low | 46.4 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 68% | 0.678 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67.4 | -32.2 | 177.4 | -159.5 | 175.8 | -163.5 | 0 | 0 | 112.1 | E11 A19 | E11-E15 WeakPolarHBondContact O-CB 2.74Å; E11-E15 PolarHBondContact O-N 3.18Å; E11-E15 VanDerWaalsContact O-N 3.1Å; E15-A19 WeakPolarHBondContact O-CB 3.41Å; E15-A19 PolarHBondContact O-N 3.4Å; E15-A19 VanDerWaalsContact O-N 3.1Å |
| 16 | E | 46.8 | Very low | 45.4 | Very low | 119 Ų | 119 | 138 Ų | 138 | 56% | 0.556 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -77.6 | -26 | 176 | -148.8 | 177.1 | -151.9 | 0 | 0 | 113 | Q12 E14 Q20 | Q12-E16 WeakPolarHBondContact O-CB 3.43Å; Q12-E16 PolarHBondContact O-N 3.01Å; E14-E16 VanDerWaalsContact C-N 3.33Å; E14-E16 PolarHBondContact O-N 3.29Å; E16-Q20 WeakPolarHBondContact O-CG 3.44Å; E16-Q20 PolarHBondContact O-N 3.1Å |
| 17 | E | 46.1 | Very low | 44.6 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 66% | 0.664 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -79.1 | -37.1 | 173.6 | -153.5 | 178.3 | -164 | 0 | 0 | 111.2 | Y13 E14 Q20 E21 | Y13-E17 PolarHBondContact O-N 3.2Å; E14-E17 PolarHBondContact O-N 3.34Å; E17-Q20 PolarHBondContact O-N 2.89Å; E17-E21 PolarHBondContact O-N 2.83Å |
| 18 | E | 43.5 | Very low | 44 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 68% | 0.682 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -69.7 | -36.4 | 175.6 | -153.7 | 174 | -158.8 | 0 | 0 | 111.6 | E14 Q20 E21 E22 | E14-E18 PolarHBondContact O-N 3.39Å; E18-Q20 VanDerWaalsContact C-N 3.29Å; E18-Q20 PolarHBondContact O-N 2.84Å; E18-E21 PolarHBondContact O-N 3.39Å; E18-E22 PolarHBondContact O-N 3.1Å |
| 19 | A | 42.4 | Very low | 43.2 | Very low | 61 Ų | 61 | 140.8 Ų | 140.8 | 50% | 0.504 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -67.9 | -24.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E15 | E15-A19 WeakPolarHBondContact O-CB 3.41Å; E15-A19 PolarHBondContact O-N 3.4Å; E15-A19 VanDerWaalsContact O-N 3.1Å |
| 20 | Q | 40.3 | Very low | 42.3 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 66% | 0.659 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -83 | -20.2 | 175.5 | -78 | 177.7 | 34.7 | 0 | 0 | 113.3 | E16 E17 E18 | E16-Q20 WeakPolarHBondContact O-CG 3.44Å; E16-Q20 PolarHBondContact O-N 3.1Å; E17-Q20 PolarHBondContact O-N 2.89Å; E18-Q20 VanDerWaalsContact C-N 3.29Å; E18-Q20 PolarHBondContact O-N 2.84Å |
| 21 | E | 38.6 | Very low | 41.5 | Very low | 170 Ų | 170 | 144.9 Ų | 144.9 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -83.8 | -18.7 | 174.4 | -77.3 | -165.9 | 154.8 | 0 | 0 | 113.3 | E17 E18 | E17-E21 PolarHBondContact O-N 2.83Å; E18-E21 PolarHBondContact O-N 3.39Å |
| 22 | E | 37.5 | Very low | 40.7 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -91.5 | -11.1 | -177.7 | -138.6 | -179.7 | -176.8 | 0 | 0 | 114.9 | E18 | E18-E22 PolarHBondContact O-N 3.1Š|
| 23 | E | 37.1 | Very low | 40.5 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | -102.9 | 43.6 | -179.3 | -147.9 | -177.6 | -163 | 0 | 0 | 113.8 | ||||
| 24 | V | 34.7 | Very low | 39.5 | Very low | 132 Ų | 132 | 148.3 Ų | 148.3 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | trans | -124.3 | 71.1 | 163.9 | -172 | 0 | 0 | 0 | 0 | 109 | ||||
| 25 | Q | 38.5 | Very low | 38.9 | Very low | 182 Ų | 182 | 149.9 Ų | 149.9 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | -138.1 | 87.8 | 171.5 | -165.2 | 171.7 | 48 | 0 | 0 | 111.1 | ||||
| 26 | E | 34.5 | Very low | 38.4 | Very low | 182 Ų | 182 | 152.6 Ų | 152.6 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | 165.3 | 133.4 | 149.9 | -100.6 | -178.1 | 150.1 | 0 | 0 | 104.7 | ||||
| 27 | E | 33 | Very low | 38.1 | Very low | 175 Ų | 175 | 155.5 Ų | 155.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | -166 | 132.8 | 51.9 | -142.2 | 173.9 | 174 | 0 | 0 | 106.8 | |||||
| 28 | A | 41.6 | Very low | 38 | Very low | 92 Ų | 92 | 157.4 Ų | 157.4 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 130.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | E30 | A28-E30 PolarHBondContact O-N 2.97Š|
| 29 | P | 36.4 | Very low | 38.1 | Very low | 130 Ų | 130 | 158.7 Ų | 158.7 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 119.1 | 173.8 | 28.9 | -30 | 0 | 0 | 0 | 109.3 | ||
| 30 | E | 38.5 | Very low | 38.3 | Very low | 179 Ų | 179 | 161.4 Ų | 161.4 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 142.4 | 165.6 | -161.8 | 173.2 | -159.3 | 0 | 0 | 109.7 | A28 E32 | A28-E30 PolarHBondContact O-N 2.97Å; E30-E32 PolarHBondContact O-N 3.35Å; E30-E32 VanDerWaalsContact O-N 3.09Å |
| 31 | P | 36.5 | Very low | 38.4 | Very low | 121 Ų | 121 | 165.6 Ų | 165.6 | 79% | 0.786 | 83% | 0.827 | S | S | * | * | trans | -70.1 | 108.3 | -179.6 | 27.5 | -33.3 | 0 | 0 | 0 | 110.9 | E33 | P31-E33 PolarHBondContact O-N 3.35Š| ||
| 32 | E | 37 | Very low | 38.9 | Very low | 184 Ų | 184 | 162.9 Ų | 162.9 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -61.6 | 120.4 | 167.1 | -108.5 | -177.4 | 164 | 0 | 0 | 110.4 | E30 V34 | E30-E32 PolarHBondContact O-N 3.35Å; E30-E32 VanDerWaalsContact O-N 3.09Å; E32-V34 PolarHBondContact O-N 2.93Å | ||
| 33 | E | 38.3 | Very low | 39.3 | Very low | 185 Ų | 185 | 164.6 Ų | 164.6 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -61.4 | 103.6 | 164.8 | -73.5 | -173.1 | 152.9 | 0 | 0 | 109.5 | P31 Q35 | P31-E33 PolarHBondContact O-N 3.35Å; E33-Q35 PolarHBondContact O-N 3.49Å; E33-Q35 VanDerWaalsContact O-N 3.11Å | ||
| 34 | V | 31.6 | Very low | 39.8 | Very low | 134 Ų | 134 | 164 Ų | 164 | 81% | 0.812 | 83% | 0.83 | S | S | * | * | trans | -72.9 | 104.4 | 170.6 | -175 | 0 | 0 | 0 | 0 | 108.3 | E32 E36 | E32-V34 PolarHBondContact O-N 2.93Å; V34-E36 PolarHBondContact O-N 3.38Å | ||
| 35 | Q | 35.8 | Very low | 40.3 | Very low | 176 Ų | 176 | 163.8 Ų | 163.8 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | trans | -58.1 | 125.7 | 166.6 | -66.7 | 174 | 14.5 | 0 | 0 | 109.4 | E33 E37 | E33-Q35 PolarHBondContact O-N 3.49Å; E33-Q35 VanDerWaalsContact O-N 3.11Å; Q35-E37 PolarHBondContact O-N 2.86Å | ||
| 36 | E | 37.3 | Very low | 40.5 | Very low | 202 Ų | 202 | 159.7 Ų | 159.7 | 94% | 0.944 | 83% | 0.826 | S | S | * | * | trans | -61.3 | 100.9 | 168.9 | -84.9 | -174.9 | 132.9 | 0 | 0 | 109.8 | V34 E38 | V34-E36 PolarHBondContact O-N 3.38Å; E36-E38 PolarHBondContact O-N 2.86Å | ||
| 37 | E | 41.2 | Very low | 41.6 | Very low | 179 Ų | 179 | 156.6 Ų | 156.6 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | trans | -75.8 | 106.7 | 158.9 | -98.1 | -157.9 | 153.4 | 0 | 0 | 109.5 | Q35 K39 | Q35-E37 PolarHBondContact O-N 2.86Å; E37-K39 PolarHBondContact O-N 2.96Å | ||
| 38 | E | 44.5 | Very low | 42.1 | Very low | 182 Ų | 182 | 158.1 Ų | 158.1 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | trans | -66.8 | 93.4 | 173.6 | -161.1 | -175.3 | -173.7 | 0 | 0 | 110.5 | E36 | E36-E38 PolarHBondContact O-N 2.86Š| ||
| 39 | K | 45.3 | Very low | 42.4 | Very low | 173 Ų | 173 | 161.2 Ų | 161.2 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 138.4 | 167.9 | -82.5 | 179.6 | -179.3 | 171.6 | 0 | 110.8 | E37 R41 | E37-K39 PolarHBondContact O-N 2.96Å; K39-R41 PolarHBondContact O-N 3.48Å |
| 40 | P | 46.3 | Very low | 43.2 | Very low | 118 Ų | 118 | 160.7 Ų | 160.7 | 77% | 0.766 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 125.2 | -173.6 | 26.8 | -32.8 | 0 | 0 | 0 | 111.2 | P42 | P40-P42 WeakPolarHBondContact O-CD 3.3Š|
| 41 | R | 42.7 | Very low | 43.5 | Very low | 229 Ų | 229 | 161.7 Ų | 161.7 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 122.2 | 173.8 | -63.1 | -178.4 | -175.5 | -157.4 | 0.3 | 110.1 | K39 K43 | K39-R41 PolarHBondContact O-N 3.48Å; R41-K43 PolarHBondContact O-N 3.44Å |
| 42 | P | 48.9 | Very low | 44.3 | Very low | 113 Ų | 113 | 159.9 Ų | 159.9 | 73% | 0.734 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 126.8 | 167.7 | 6.4 | 4.8 | 0 | 0 | 0 | 109.2 | P40 L44 | P40-P42 WeakPolarHBondContact O-CD 3.3Å; P42-L44 PolarHBondContact O-N 3.5Å |
| 43 | K | 46.7 | Very low | 45.2 | Very low | 210 Ų | 210 | 159.7 Ų | 159.7 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | trans | -66.9 | 99.6 | 171.9 | -69.3 | 178.1 | -178.6 | 176.5 | 0 | 109.1 | R41 T45 | R41-K43 PolarHBondContact O-N 3.44Å; K43-T45 PolarHBondContact O-N 3.03Å | ||
| 44 | L | 45.8 | Very low | 46.3 | Very low | 166 Ų | 166 | 160.3 Ų | 160.3 | 87% | 0.869 | 83% | 0.832 | S | S | * | * | trans | -79.4 | 107.8 | 166.4 | -74.6 | 164.8 | 0 | 0 | 0 | 108.6 | P42 A46 | P42-L44 PolarHBondContact O-N 3.5Å; L44-A46 PolarHBondContact O-N 3.47Å | ||
| 45 | T | 46.2 | Very low | 47.8 | Very low | 128 Ų | 128 | 158.5 Ų | 158.5 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 125.7 | 166.8 | 42.3 | 0 | 0 | 0 | 0 | 109.8 | K43 P47 | K43-T45 PolarHBondContact O-N 3.03Å; T45-P47 WeakPolarHBondContact O-CD 3.19Å |
| 46 | A | 42.4 | Very low | 49.5 | Very low | 95 Ų | 95 | 155.7 Ų | 155.7 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -59 | 123.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L44 | L44-A46 PolarHBondContact O-N 3.47Š|
| 47 | P | 58.2 | Low | 51.1 | Low | 117 Ų | 117 | 154 Ų | 154 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 133.9 | 167.1 | -16.7 | 30.9 | 0 | 0 | 0 | 110.1 | T45 I49 | T45-P47 WeakPolarHBondContact O-CD 3.19Å; P47-I49 PolarHBondContact O-N 3.39Å |
| 48 | K | 43.1 | Very low | 52.9 | Low | 207 Ų | 207 | 150.8 Ų | 150.8 | 90% | 0.9 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 120.1 | -178.6 | -158.1 | 155.3 | 179.1 | 102.6 | 0 | 109.6 | ||
| 49 | I | 48.3 | Very low | 54.9 | Low | 158 Ų | 158 | 145.6 Ų | 145.6 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 125.2 | 177.4 | -42.7 | 172.3 | 0 | 0 | 0 | 108.3 | P47 | P47-I49 PolarHBondContact O-N 3.39Š|
| 50 | P | 53.5 | Low | 56.7 | Low | 118 Ų | 118 | 141.5 Ų | 141.5 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 144.8 | 161.6 | 2.6 | 15.6 | 0 | 0 | 0 | 110.4 | ||
| 51 | E | 44.8 | Very low | 58.6 | Low | 200 Ų | 200 | 141.4 Ų | 141.4 | 94% | 0.935 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 143.9 | -171.3 | -74.1 | 166.1 | 124.6 | 0 | 0 | 116.5 | ||
| 52 | G | 52.6 | Low | 60.8 | Low | 83 Ų | 83 | 136.7 Ų | 136.7 | 86% | 0.856 | 73% | 0.728 | S | S | * | * | 93.7 | 63.2 | 125.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 53 | E | 56.2 | Low | 62.8 | Low | 180 Ų | 180 | 137.1 Ų | 137.1 | 84% | 0.841 | 72% | 0.719 | S | S | * | * | trans | -130.4 | 127.7 | 152.9 | -162.5 | 166.8 | -167.2 | 0 | 0 | 108 | V55 | E53-V55 WeakPolarHBondContact O-CG2 3.45Å; E53-V55 PolarHBondContact O-N 3.32Å | ||
| 54 | K | 61.5 | Low | 64.9 | Low | 199 Ų | 199 | 135.3 Ų | 135.3 | 87% | 0.865 | 71% | 0.706 | S | S | * | * | trans | -57.6 | 108.1 | -177 | -82.2 | 175.8 | 177 | 173.2 | 0 | 108.8 | D56 | K54-D56 PolarHBondContact O-N 3.01Å; K54-D56 VanDerWaalsContact O-N 3.1Å | ||
| 55 | V | 61.8 | Low | 66.9 | Low | 96 Ų | 96 | 132.7 Ų | 132.7 | 58% | 0.582 | 69% | 0.689 | S | S | * | * | trans | -72 | 102.7 | 177.6 | -168.5 | 0 | 0 | 0 | 0 | 107.7 | E53 F57 I60 | E53-V55 WeakPolarHBondContact O-CG2 3.45Å; E53-V55 PolarHBondContact O-N 3.32Å; V55-F57 PolarHBondContact O-N 2.96Å; V55-I60 HydrophobicContact CG1-CD1 3.33Å; V55-I60 HydrophobicContact CG1-CG1 4.18Å | ||
| 56 | D | 73 | Confident | 69.1 | Low | 116 Ų | 116 | 131.2 Ų | 131.2 | 62% | 0.62 | 68% | 0.677 | S | S | * | * | trans | -70 | 108.8 | 174 | -93.9 | -30.5 | 0 | 0 | 0 | 109.5 | K54 D58 D59 I60 | K54-D56 PolarHBondContact O-N 3.01Å; K54-D56 VanDerWaalsContact O-N 3.1Å; D56-D58 PolarHBondContact O-N 3.49Å; D56-D59 HydrophobicContact CB-CB 3.9Å; D56-D59 WeakPolarHBondContact O-CB 3.22Å; D56-D59 PolarHBondContact O-N 3.46Å; D56-I60 PolarHBondContact O-N 3.43Å | ||
| 57 | F | 69.9 | Low | 71.6 | Confident | 166 Ų | 166 | 132.6 Ų | 132.6 | 73% | 0.728 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -61.1 | -31.3 | 179.6 | -73.6 | -83.9 | 0 | 0 | 0 | 112.6 | V55 D59 I60 Q61 | V55-F57 PolarHBondContact O-N 2.96Å; F57-D59 VanDerWaalsContact C-N 3.33Å; F57-D59 PolarHBondContact O-N 2.96Å; F57-I60 PolarHBondContact O-N 2.96Å; F57-Q61 PolarHBondContact O-N 3.41Å |
| 58 | D | 80.5 | Confident | 73.3 | Confident | 113 Ų | 113 | 130.9 Ų | 130.9 | 60% | 0.604 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.7 | -34.9 | 172.6 | -92.2 | -2.6 | 0 | 0 | 0 | 112.5 | D56 Q61 K62 | D56-D58 PolarHBondContact O-N 3.49Å; D58-Q61 PolarHBondContact O-N 2.91Å; D58-K62 WeakPolarHBondContact O-CB 3.26Å; D58-K62 WeakPolarHBondContact O-CG 3.43Å; D58-K62 PolarHBondContact O-N 3.41Å |
| 59 | D | 85.3 | Confident | 75.7 | Confident | 73 Ų | 73 | 126.2 Ų | 126.2 | 39% | 0.39 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -72.5 | -37.6 | 177.7 | -174.1 | 40.9 | 0 | 0 | 0 | 111 | D56 F57 Q61 K63 | D56-D59 HydrophobicContact CB-CB 3.9Å; D56-D59 WeakPolarHBondContact O-CB 3.22Å; D56-D59 PolarHBondContact O-N 3.46Å; F57-D59 VanDerWaalsContact C-N 3.33Å; F57-D59 PolarHBondContact O-N 2.96Å; D59-Q61 VanDerWaalsContact C-N 3.34Å; D59-Q61 PolarHBondContact O-N 2.9Å; D59-K63 VanDerWaalsContact O-CB 3.26Å; D59-K63 WeakPolarHBondContact O-CB 3.45Å; D59-K63 WeakPolarHBondContact O-CG 3.32Å; D59-K63 PolarHBondContact O-N 3.43Å; D59-K63 WeakPolarHBondContact OD1-CE 3.39Å; D59-K63 IonicContact OD1-NZ 2.65Å; D59-K63 WeakPolarHBondContact OD2-CE 3.34Å; D59-K63 IonicContact OD2-NZ 3.51Å; D59-K63 PolarHBondContact OD2-NZ 3.31Å |
| 60 | I | 82.8 | Confident | 77.9 | Confident | 86 Ų | 86 | 125.5 Ų | 125.5 | 44% | 0.441 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -61.5 | -44 | 171.5 | -67.5 | 178.8 | 0 | 0 | 0 | 111 | V55 D56 F57 K63 R64 | V55-I60 HydrophobicContact CG1-CD1 3.33Å; V55-I60 HydrophobicContact CG1-CG1 4.18Å; D56-I60 PolarHBondContact O-N 3.43Å; F57-I60 PolarHBondContact O-N 2.96Å; I60-K63 PolarHBondContact O-N 3.16Å; I60-R64 WeakPolarHBondContact O-CB 3.48Å; I60-R64 PolarHBondContact O-N 3.47Å |
| 61 | Q | 86.2 | Confident | 79.8 | Confident | 117 Ų | 117 | 124.9 Ų | 124.9 | 55% | 0.547 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -69 | -40.4 | -177.5 | -154.7 | 169.8 | 3.7 | 0 | 0 | 111.5 | F57 D58 D59 R64 Q65 | F57-Q61 PolarHBondContact O-N 3.41Å; D58-Q61 PolarHBondContact O-N 2.91Å; D59-Q61 VanDerWaalsContact C-N 3.34Å; D59-Q61 PolarHBondContact O-N 2.9Å; Q61-R64 PolarHBondContact O-N 3.3Å; Q61-Q65 WeakPolarHBondContact O-CG 3.39Å; Q61-Q65 PolarHBondContact O-N 2.96Å |
| 62 | K | 89.6 | Confident | 82.2 | Confident | 129 Ų | 129 | 119.9 Ų | 119.9 | 56% | 0.561 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.1 | -42 | 171.4 | -77.5 | 177.5 | -177.6 | 172.8 | 0 | 112.7 | D58 R64 Q65 N66 | D58-K62 WeakPolarHBondContact O-CB 3.26Å; D58-K62 WeakPolarHBondContact O-CG 3.43Å; D58-K62 PolarHBondContact O-N 3.41Å; K62-R64 VanDerWaalsContact C-N 3.33Å; K62-R64 PolarHBondContact O-N 2.94Å; K62-Q65 PolarHBondContact O-N 3.16Å; K62-N66 WeakPolarHBondContact O-CB 3.3Å; K62-N66 PolarHBondContact O-N 2.92Å |
| 63 | K | 89.8 | Confident | 84.2 | Confident | 122 Ų | 122 | 120.7 Ų | 120.7 | 53% | 0.53 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.2 | -39.1 | 175.6 | -78.4 | 169.4 | 175.9 | 166.5 | 0 | 111.9 | D59 I60 K67 | D59-K63 VanDerWaalsContact O-CB 3.26Å; D59-K63 WeakPolarHBondContact O-CB 3.45Å; D59-K63 WeakPolarHBondContact O-CG 3.32Å; D59-K63 PolarHBondContact O-N 3.43Å; D59-K63 WeakPolarHBondContact OD1-CE 3.39Å; D59-K63 IonicContact OD1-NZ 2.65Å; D59-K63 WeakPolarHBondContact OD2-CE 3.34Å; D59-K63 IonicContact OD2-NZ 3.51Å; D59-K63 PolarHBondContact OD2-NZ 3.31Å; I60-K63 PolarHBondContact O-N 3.16Å; K63-K67 VanDerWaalsContact O-CB 3.3Å; K63-K67 WeakPolarHBondContact O-CB 3.47Å; K63-K67 PolarHBondContact O-N 3.22Å |
| 64 | R | 90.7 | Very high | 86 | Confident | 172 Ų | 172 | 114.9 Ų | 114.9 | 65% | 0.649 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.8 | -52.6 | 172.3 | 179 | -177.4 | -82.8 | -173.7 | -6 | 110.8 | I60 Q61 K62 N66 K67 D68 | I60-R64 WeakPolarHBondContact O-CB 3.48Å; I60-R64 PolarHBondContact O-N 3.47Å; Q61-R64 PolarHBondContact O-N 3.3Å; K62-R64 VanDerWaalsContact C-N 3.33Å; K62-R64 PolarHBondContact O-N 2.94Å; R64-N66 VanDerWaalsContact C-N 3.32Å; R64-N66 PolarHBondContact O-N 3.44Å; R64-K67 WeakPolarHBondContact O-CB 3.21Å; R64-K67 PolarHBondContact O-N 3.45Å; R64-K67 VanDerWaalsContact O-N 3.1Å; R64-D68 WeakPolarHBondContact CG-OD2 3.48Å; R64-D68 PolarHBondContact O-N 3.45Å |
| 65 | Q | 88.8 | Confident | 87.7 | Confident | 111 Ų | 111 | 111.1 Ų | 111.1 | 52% | 0.519 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.3 | -43 | 179.3 | -74.3 | 176.7 | -24.3 | 0 | 0 | 112.4 | Q61 K62 D68 L69 | Q61-Q65 WeakPolarHBondContact O-CG 3.39Å; Q61-Q65 PolarHBondContact O-N 2.96Å; K62-Q65 PolarHBondContact O-N 3.16Å; Q65-D68 PolarHBondContact O-N 3.19Å; Q65-L69 WeakPolarHBondContact O-CB 3.36Å; Q65-L69 VanDerWaalsContact O-CG 3.22Å; Q65-L69 WeakPolarHBondContact O-CG 3.49Å; Q65-L69 PolarHBondContact O-N 3.18Å |
| 66 | N | 92.2 | Very high | 89.3 | Confident | 98 Ų | 98 | 109.7 Ų | 109.7 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 176.1 | -76.3 | -19.3 | 0 | 0 | 0 | 112.1 | K62 R64 L69 M70 | K62-N66 WeakPolarHBondContact O-CB 3.3Å; K62-N66 PolarHBondContact O-N 2.92Å; R64-N66 VanDerWaalsContact C-N 3.32Å; R64-N66 PolarHBondContact O-N 3.44Å; N66-L69 PolarHBondContact O-N 3.49Å; N66-M70 WeakPolarHBondContact O-CB 3.18Å; N66-M70 VanDerWaalsContact O-CG 3.26Å; N66-M70 WeakPolarHBondContact O-CG 3.35Å; N66-M70 PolarHBondContact O-N 3.3Å |
| 67 | K | 94.5 | Very high | 90.4 | Very high | 123 Ų | 123 | 107.9 Ų | 107.9 | 54% | 0.535 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63 | -48.8 | 174.7 | -179.8 | -176.9 | 168.6 | -176.5 | 0 | 111.1 | K63 R64 L69 M70 E71 | K63-K67 VanDerWaalsContact O-CB 3.3Å; K63-K67 WeakPolarHBondContact O-CB 3.47Å; K63-K67 PolarHBondContact O-N 3.22Å; R64-K67 WeakPolarHBondContact O-CB 3.21Å; R64-K67 PolarHBondContact O-N 3.45Å; R64-K67 VanDerWaalsContact O-N 3.1Å; K67-L69 VanDerWaalsContact C-N 3.29Å; K67-L69 PolarHBondContact O-N 3.1Å; K67-M70 PolarHBondContact O-N 3.45Å; K67-M70 VanDerWaalsContact O-N 3.16Å; K67-E71 WeakPolarHBondContact CE-OE1 3.39Å; K67-E71 HydrophobicContact CG-CG 4.42Å; K67-E71 IonicContact NZ-OE1 2.88Å; K67-E71 WeakPolarHBondContact O-CB 3.22Å; K67-E71 WeakPolarHBondContact O-CG 3.39Å; K67-E71 PolarHBondContact O-N 3.31Å |
| 68 | D | 93.4 | Very high | 91.6 | Very high | 81 Ų | 81 | 103.6 Ų | 103.6 | 43% | 0.433 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 179.9 | -61.6 | -13.3 | 0 | 0 | 0 | 110.9 | R64 Q65 L72 | R64-D68 WeakPolarHBondContact CG-OD2 3.48Å; R64-D68 PolarHBondContact O-N 3.45Å; Q65-D68 PolarHBondContact O-N 3.19Å; D68-L72 VanDerWaalsContact O-CB 3.23Å; D68-L72 WeakPolarHBondContact O-CB 3.26Å; D68-L72 PolarHBondContact O-N 2.88Å |
| 69 | L | 94.3 | Very high | 92.4 | Very high | 110 Ų | 110 | 103.6 Ų | 103.6 | 58% | 0.576 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.7 | -41 | 174.3 | -73.5 | 167.1 | 0 | 0 | 0 | 112.4 | Q65 N66 K67 Q73 | Q65-L69 WeakPolarHBondContact O-CB 3.36Å; Q65-L69 VanDerWaalsContact O-CG 3.22Å; Q65-L69 WeakPolarHBondContact O-CG 3.49Å; Q65-L69 PolarHBondContact O-N 3.18Å; N66-L69 PolarHBondContact O-N 3.49Å; K67-L69 VanDerWaalsContact C-N 3.29Å; K67-L69 PolarHBondContact O-N 3.1Å; L69-Q73 WeakPolarHBondContact O-CB 3.37Å; L69-Q73 PolarHBondContact O-N 2.91Å |
| 70 | M | 93.8 | Very high | 93 | Very high | 142 Ų | 142 | 106.4 Ų | 106.4 | 70% | 0.7 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.1 | -41.3 | 175.9 | -73.9 | 179.9 | 72.1 | 0 | 0 | 112 | N66 K67 Q73 A74 | N66-M70 WeakPolarHBondContact O-CB 3.18Å; N66-M70 VanDerWaalsContact O-CG 3.26Å; N66-M70 WeakPolarHBondContact O-CG 3.35Å; N66-M70 PolarHBondContact O-N 3.3Å; K67-M70 PolarHBondContact O-N 3.45Å; K67-M70 VanDerWaalsContact O-N 3.16Å; M70-Q73 PolarHBondContact O-N 3.35Å; M70-A74 WeakPolarHBondContact O-CB 3.46Å; M70-A74 PolarHBondContact O-N 3.3Å |
| 71 | E | 93.3 | Very high | 93.7 | Very high | 105 Ų | 105 | 106.8 Ų | 106.8 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66 | -41.2 | 175.9 | -74.7 | -178.7 | 174.6 | 0 | 0 | 111.4 | K67 A74 L75 | K67-E71 WeakPolarHBondContact CE-OE1 3.39Å; K67-E71 HydrophobicContact CG-CG 4.42Å; K67-E71 IonicContact NZ-OE1 2.88Å; K67-E71 WeakPolarHBondContact O-CB 3.22Å; K67-E71 WeakPolarHBondContact O-CG 3.39Å; K67-E71 PolarHBondContact O-N 3.31Å; E71-A74 PolarHBondContact O-N 2.94Å; E71-L75 WeakPolarHBondContact O-CB 3.43Å; E71-L75 PolarHBondContact O-N 2.96Å |
| 72 | L | 95.1 | Very high | 94.2 | Very high | 95 Ų | 95 | 104 Ų | 104 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 174.8 | -177.3 | 62.8 | 0 | 0 | 0 | 111.5 | D68 L75 I76 | D68-L72 VanDerWaalsContact O-CB 3.23Å; D68-L72 WeakPolarHBondContact O-CB 3.26Å; D68-L72 PolarHBondContact O-N 2.88Å; L72-L75 PolarHBondContact O-N 3.12Å; L72-I76 HydrophobicContact CD1-CD1 4.25Å; L72-I76 HydrophobicContact CD1-CG1 4.49Å; L72-I76 HydrophobicContact CG-CD1 3.95Å; L72-I76 WeakPolarHBondContact O-CB 3.45Å; L72-I76 WeakPolarHBondContact O-CG1 3.22Å; L72-I76 PolarHBondContact O-N 3.13Å |
| 73 | Q | 94.5 | Very high | 94.5 | Very high | 100 Ų | 100 | 104.2 Ų | 104.2 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 175.9 | -175.1 | 61.6 | 53.1 | 0 | 0 | 111.4 | L69 M70 L75 I76 D77 | L69-Q73 WeakPolarHBondContact O-CB 3.37Å; L69-Q73 PolarHBondContact O-N 2.91Å; M70-Q73 PolarHBondContact O-N 3.35Å; Q73-L75 VanDerWaalsContact C-N 3.34Å; Q73-L75 PolarHBondContact O-N 3.16Å; Q73-I76 PolarHBondContact O-N 3.1Å; Q73-D77 VanDerWaalsContact NE2-CG 3.33Å; Q73-D77 PolarHBondContact NE2-OD1 3.42Å; Q73-D77 PolarHBondContact NE2-OD2 3.27Å; Q73-D77 VanDerWaalsContact NE2-OD2 3.09Å; Q73-D77 VanDerWaalsContact O-CG 3.28Å; Q73-D77 PolarHBondContact O-N 2.99Å |
| 74 | A | 95.1 | Very high | 94.8 | Very high | 58 Ų | 58 | 103.5 Ų | 103.5 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M70 E71 S78 | M70-A74 WeakPolarHBondContact O-CB 3.46Å; M70-A74 PolarHBondContact O-N 3.3Å; E71-A74 PolarHBondContact O-N 2.94Å; A74-S78 WeakPolarHBondContact O-CB 3.46Å; A74-S78 PolarHBondContact O-N 2.91Å |
| 75 | L | 96.6 | Very high | 95.1 | Very high | 120 Ų | 120 | 101 Ų | 101 | 63% | 0.628 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.9 | -42.5 | 176.3 | -175.1 | 66.2 | 0 | 0 | 0 | 111.6 | E71 L72 Q73 S78 H79 | E71-L75 WeakPolarHBondContact O-CB 3.43Å; E71-L75 PolarHBondContact O-N 2.96Å; L72-L75 PolarHBondContact O-N 3.12Å; Q73-L75 VanDerWaalsContact C-N 3.34Å; Q73-L75 PolarHBondContact O-N 3.16Å; L75-S78 PolarHBondContact O-N 3.37Å; L75-H79 WeakPolarHBondContact O-CB 3.45Å; L75-H79 PolarHBondContact O-N 3.47Å |
| 76 | I | 95.2 | Very high | 95.4 | Very high | 67 Ų | 67 | 102 Ų | 102 | 34% | 0.344 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.4 | -53.1 | 175.4 | -72.2 | 167.5 | 0 | 0 | 0 | 109.9 | L72 Q73 S78 H79 F80 | L72-I76 HydrophobicContact CD1-CD1 4.25Å; L72-I76 HydrophobicContact CD1-CG1 4.49Å; L72-I76 HydrophobicContact CG-CD1 3.95Å; L72-I76 WeakPolarHBondContact O-CB 3.45Å; L72-I76 WeakPolarHBondContact O-CG1 3.22Å; L72-I76 PolarHBondContact O-N 3.13Å; Q73-I76 PolarHBondContact O-N 3.1Å; I76-S78 VanDerWaalsContact C-N 3.33Å; I76-S78 PolarHBondContact O-N 2.94Å; I76-H79 PolarHBondContact O-N 2.91Å; I76-H79 VanDerWaalsContact O-N 3.16Å; I76-F80 HydrophobicContact CG2-CD2 3.69Å; I76-F80 HydrophobicContact CG2-CE2 3.68Å; I76-F80 VanDerWaalsContact O-CD2 3.23Å; I76-F80 WeakPolarHBondContact O-CD2 3.4Å; I76-F80 PolarHBondContact O-N 2.87Å |
| 77 | D | 96.1 | Very high | 95.6 | Very high | 78 Ų | 78 | 101.9 Ų | 101.9 | 42% | 0.417 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | -178.7 | -66.3 | -24.9 | 0 | 0 | 0 | 111.3 | Q73 H79 F80 E81 | Q73-D77 VanDerWaalsContact NE2-CG 3.33Å; Q73-D77 PolarHBondContact NE2-OD1 3.42Å; Q73-D77 PolarHBondContact NE2-OD2 3.27Å; Q73-D77 VanDerWaalsContact NE2-OD2 3.09Å; Q73-D77 VanDerWaalsContact O-CG 3.28Å; Q73-D77 PolarHBondContact O-N 2.99Å; D77-H79 VanDerWaalsContact C-N 3.33Å; D77-H79 PolarHBondContact O-N 3.37Å; D77-F80 PolarHBondContact O-N 2.96Å; D77-E81 WeakPolarHBondContact O-CB 3.22Å; D77-E81 WeakPolarHBondContact O-CG 3.39Å; D77-E81 PolarHBondContact O-N 3.13Å |
| 78 | S | 96.8 | Very high | 95.6 | Very high | 76 Ų | 76 | 101.2 Ų | 101.2 | 53% | 0.531 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 175.1 | -175.6 | 0 | 0 | 0 | 0 | 112.4 | A74 L75 I76 A82 | A74-S78 WeakPolarHBondContact O-CB 3.46Å; A74-S78 PolarHBondContact O-N 2.91Å; L75-S78 PolarHBondContact O-N 3.37Å; I76-S78 VanDerWaalsContact C-N 3.33Å; I76-S78 PolarHBondContact O-N 2.94Å; S78-A82 WeakPolarHBondContact O-CB 3.47Å; S78-A82 PolarHBondContact O-N 3.36Å |
| 79 | H | 97.4 | Very high | 95.7 | Very high | 113 Ų | 113 | 104.2 Ų | 104.2 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69 | -43.6 | 179.5 | -179.4 | -84.2 | 0 | 0 | 0 | 111.5 | L75 I76 D77 R83 | L75-H79 WeakPolarHBondContact O-CB 3.45Å; L75-H79 PolarHBondContact O-N 3.47Å; I76-H79 PolarHBondContact O-N 2.91Å; I76-H79 VanDerWaalsContact O-N 3.16Å; D77-H79 VanDerWaalsContact C-N 3.33Å; D77-H79 PolarHBondContact O-N 3.37Å; H79-R83 WeakPolarHBondContact O-CB 3.23Å; H79-R83 PolarHBondContact O-N 3.35Å |
| 80 | F | 97.2 | Very high | 95.8 | Very high | 132 Ų | 132 | 103 Ų | 103 | 58% | 0.579 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.2 | -43.6 | 177.3 | -80.7 | -70.6 | 0 | 0 | 0 | 112.3 | I76 D77 R83 K84 | I76-F80 HydrophobicContact CG2-CD2 3.69Å; I76-F80 HydrophobicContact CG2-CE2 3.68Å; I76-F80 VanDerWaalsContact O-CD2 3.23Å; I76-F80 WeakPolarHBondContact O-CD2 3.4Å; I76-F80 PolarHBondContact O-N 2.87Å; D77-F80 PolarHBondContact O-N 2.96Å; F80-R83 PolarHBondContact O-N 2.93Å; F80-K84 WeakPolarHBondContact O-CB 3.37Å; F80-K84 PolarHBondContact O-N 3.42Å |
| 81 | E | 96.5 | Very high | 95.9 | Very high | 94 Ų | 94 | 100.7 Ų | 100.7 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.5 | -38.6 | 177 | -76.8 | -65.7 | 142.7 | 0 | 0 | 112.3 | D77 K85 | D77-E81 WeakPolarHBondContact O-CB 3.22Å; D77-E81 WeakPolarHBondContact O-CG 3.39Å; D77-E81 PolarHBondContact O-N 3.13Å; E81-K85 WeakPolarHBondContact O-CB 3.37Å; E81-K85 VanDerWaalsContact O-CG 3.3Å; E81-K85 WeakPolarHBondContact O-CG 3.41Å; E81-K85 PolarHBondContact O-N 3.32Å |
| 82 | A | 96.6 | Very high | 96.1 | Very high | 57 Ų | 57 | 97.9 Ų | 97.9 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -50.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S78 K84 K85 E86 | S78-A82 WeakPolarHBondContact O-CB 3.47Å; S78-A82 PolarHBondContact O-N 3.36Å; A82-K84 PolarHBondContact O-N 2.92Å; A82-K85 PolarHBondContact O-N 3.5Å; A82-E86 WeakPolarHBondContact O-CB 3.4Å; A82-E86 PolarHBondContact O-N 3.39Å |
| 83 | R | 96.6 | Very high | 96.2 | Very high | 135 Ų | 135 | 97.6 Ų | 97.6 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 178.6 | -170.7 | -174.7 | -176.2 | 120.9 | 0.7 | 112.3 | H79 F80 K85 E86 E87 | H79-R83 WeakPolarHBondContact O-CB 3.23Å; H79-R83 PolarHBondContact O-N 3.35Å; F80-R83 PolarHBondContact O-N 2.93Å; R83-K85 PolarHBondContact O-N 3.41Å; R83-E86 PolarHBondContact O-N 3.39Å; R83-E87 HydrophobicContact CG-CG 4.38Å; R83-E87 IonicContact CZ-OE1 2.8Å; R83-E87 IonicContact NE-OE1 3.62Å; R83-E87 PolarHBondContact NE-OE1 3.34Å; R83-E87 IonicContact NH2-OE1 3.29Å; R83-E87 WeakPolarHBondContact O-CB 3.48Å; R83-E87 WeakPolarHBondContact O-CG 3.43Å; R83-E87 PolarHBondContact O-N 3.09Å |
| 84 | K | 96.8 | Very high | 96.2 | Very high | 106 Ų | 106 | 98.9 Ų | 98.9 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 177.9 | -178 | -178.5 | 172.6 | -168.8 | 0 | 111.5 | F80 A82 E87 E88 | F80-K84 WeakPolarHBondContact O-CB 3.37Å; F80-K84 PolarHBondContact O-N 3.42Å; A82-K84 PolarHBondContact O-N 2.92Å; K84-E87 PolarHBondContact O-N 3.04Å; K84-E88 WeakPolarHBondContact CE-OE1 3.3Å; K84-E88 WeakPolarHBondContact O-CB 3.42Å; K84-E88 VanDerWaalsContact O-CG 3.3Å; K84-E88 WeakPolarHBondContact O-CG 3.49Å; K84-E88 PolarHBondContact O-N 3.17Å |
| 85 | K | 97 | Very high | 96.3 | Very high | 119 Ų | 119 | 102 Ų | 102 | 52% | 0.517 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 175.5 | -73.8 | 174.4 | -175.6 | 175.2 | 0 | 111.9 | E81 A82 R83 E88 E89 | E81-K85 WeakPolarHBondContact O-CB 3.37Å; E81-K85 VanDerWaalsContact O-CG 3.3Å; E81-K85 WeakPolarHBondContact O-CG 3.41Å; E81-K85 PolarHBondContact O-N 3.32Å; A82-K85 PolarHBondContact O-N 3.5Å; R83-K85 PolarHBondContact O-N 3.41Å; K85-E88 PolarHBondContact O-N 3.32Å; K85-E89 WeakPolarHBondContact O-CB 3.18Å; K85-E89 WeakPolarHBondContact O-CG 3.41Å; K85-E89 PolarHBondContact O-N 3.39Å |
| 86 | E | 95.2 | Very high | 96.4 | Very high | 134 Ų | 134 | 103.4 Ų | 103.4 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.2 | -43.7 | 176.6 | -172 | -175.7 | 172.9 | 0 | 0 | 111.9 | A82 R83 E89 L90 | A82-E86 WeakPolarHBondContact O-CB 3.4Å; A82-E86 PolarHBondContact O-N 3.39Å; R83-E86 PolarHBondContact O-N 3.39Å; E86-E89 PolarHBondContact O-N 2.83Å; E86-L90 VanDerWaalsContact O-CB 3.32Å; E86-L90 WeakPolarHBondContact O-CB 3.32Å; E86-L90 PolarHBondContact O-N 2.87Å |
| 87 | E | 94.9 | Very high | 96.4 | Very high | 94 Ų | 94 | 103.7 Ų | 103.7 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 176.2 | -75.5 | 178.1 | -172.4 | 0 | 0 | 111.5 | R83 K84 L90 I91 | R83-E87 HydrophobicContact CG-CG 4.38Å; R83-E87 IonicContact CZ-OE1 2.8Å; R83-E87 IonicContact NE-OE1 3.62Å; R83-E87 PolarHBondContact NE-OE1 3.34Å; R83-E87 IonicContact NH2-OE1 3.29Å; R83-E87 WeakPolarHBondContact O-CB 3.48Å; R83-E87 WeakPolarHBondContact O-CG 3.43Å; R83-E87 PolarHBondContact O-N 3.09Å; K84-E87 PolarHBondContact O-N 3.04Å; E87-L90 PolarHBondContact O-N 3.02Å; E87-I91 WeakPolarHBondContact O-CB 3.34Å; E87-I91 WeakPolarHBondContact O-CD1 3.18Å; E87-I91 WeakPolarHBondContact O-CG1 3.42Å; E87-I91 PolarHBondContact O-N 3.09Å |
| 88 | E | 95.8 | Very high | 96.4 | Very high | 110 Ų | 110 | 106.6 Ų | 106.6 | 51% | 0.514 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 175.2 | -75.7 | 175 | -171.7 | 0 | 0 | 111.9 | K84 K85 I91 A92 | K84-E88 WeakPolarHBondContact CE-OE1 3.3Å; K84-E88 WeakPolarHBondContact O-CB 3.42Å; K84-E88 VanDerWaalsContact O-CG 3.3Å; K84-E88 WeakPolarHBondContact O-CG 3.49Å; K84-E88 PolarHBondContact O-N 3.17Å; K85-E88 PolarHBondContact O-N 3.32Å; E88-I91 PolarHBondContact O-N 2.96Å; E88-A92 WeakPolarHBondContact O-CB 3.38Å; E88-A92 PolarHBondContact O-N 3.34Å |
| 89 | E | 95.6 | Very high | 96.4 | Very high | 143 Ų | 143 | 109.5 Ų | 109.5 | 67% | 0.668 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.4 | -41.7 | 175.9 | -74.5 | 178.6 | -169.6 | 0 | 0 | 112.1 | K85 E86 A92 L93 | K85-E89 WeakPolarHBondContact O-CB 3.18Å; K85-E89 WeakPolarHBondContact O-CG 3.41Å; K85-E89 PolarHBondContact O-N 3.39Å; E86-E89 PolarHBondContact O-N 2.83Å; E89-A92 PolarHBondContact O-N 3.13Å; E89-L93 WeakPolarHBondContact O-CB 3.23Å; E89-L93 PolarHBondContact O-N 2.99Å |
| 90 | L | 95.9 | Very high | 96.4 | Very high | 86 Ų | 86 | 110.8 Ų | 110.8 | 45% | 0.45 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 177.8 | -172.7 | 67 | 0 | 0 | 0 | 111.4 | E86 E87 L93 K94 | E86-L90 VanDerWaalsContact O-CB 3.32Å; E86-L90 WeakPolarHBondContact O-CB 3.32Å; E86-L90 PolarHBondContact O-N 2.87Å; E87-L90 PolarHBondContact O-N 3.02Å; L90-L93 PolarHBondContact O-N 3.47Å; L90-K94 WeakPolarHBondContact O-CB 3.32Å; L90-K94 WeakPolarHBondContact O-CG 3.34Å; L90-K94 PolarHBondContact O-N 2.99Å |
| 91 | I | 95.4 | Very high | 96.4 | Very high | 92 Ų | 92 | 112.5 Ų | 112.5 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -49.5 | 174.8 | -69.6 | 164.2 | 0 | 0 | 0 | 109.8 | E87 E88 L93 K94 E95 | E87-I91 WeakPolarHBondContact O-CB 3.34Å; E87-I91 WeakPolarHBondContact O-CD1 3.18Å; E87-I91 WeakPolarHBondContact O-CG1 3.42Å; E87-I91 PolarHBondContact O-N 3.09Å; E88-I91 PolarHBondContact O-N 2.96Å; I91-L93 VanDerWaalsContact C-N 3.26Å; I91-L93 PolarHBondContact O-N 3.07Å; I91-K94 PolarHBondContact O-N 2.92Å; I91-K94 VanDerWaalsContact O-N 3.13Å; I91-E95 HydrophobicContact CG2-CG 4.36Å; I91-E95 WeakPolarHBondContact O-CG 3.49Å; I91-E95 PolarHBondContact O-N 2.97Å |
| 92 | A | 97.3 | Very high | 96.2 | Very high | 46 Ų | 46 | 110.7 Ų | 110.7 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.2 | -35.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E88 E89 R96 | E88-A92 WeakPolarHBondContact O-CB 3.38Å; E88-A92 PolarHBondContact O-N 3.34Å; E89-A92 PolarHBondContact O-N 3.13Å; A92-R96 WeakPolarHBondContact O-CB 3.48Å; A92-R96 PolarHBondContact O-N 3.45Å; A92-R96 VanDerWaalsContact O-N 3.16Å |
| 93 | L | 97 | Very high | 96.2 | Very high | 89 Ų | 89 | 112.1 Ų | 112.1 | 47% | 0.466 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.3 | -45.7 | 174.7 | -177.4 | 61.1 | 0 | 0 | 0 | 111.6 | E89 L90 I91 R96 I97 | E89-L93 WeakPolarHBondContact O-CB 3.23Å; E89-L93 PolarHBondContact O-N 2.99Å; L90-L93 PolarHBondContact O-N 3.47Å; I91-L93 VanDerWaalsContact C-N 3.26Å; I91-L93 PolarHBondContact O-N 3.07Å; L93-R96 PolarHBondContact O-N 3.37Å; L93-I97 HydrophobicContact CD1-CD1 4.43Å; L93-I97 HydrophobicContact CG-CD1 4.18Å; L93-I97 WeakPolarHBondContact O-CG1 3.34Å; L93-I97 PolarHBondContact O-N 3.28Å |
| 94 | K | 96.3 | Very high | 96.1 | Very high | 127 Ų | 127 | 112.5 Ų | 112.5 | 55% | 0.552 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.7 | -46.5 | 176.4 | -76.6 | 176.9 | 179.1 | 178.6 | 0 | 111.7 | L90 I91 R96 I97 E98 | L90-K94 WeakPolarHBondContact O-CB 3.32Å; L90-K94 WeakPolarHBondContact O-CG 3.34Å; L90-K94 PolarHBondContact O-N 2.99Å; I91-K94 PolarHBondContact O-N 2.92Å; I91-K94 VanDerWaalsContact O-N 3.13Å; K94-R96 VanDerWaalsContact C-N 3.28Å; K94-R96 PolarHBondContact O-N 3.28Å; K94-I97 PolarHBondContact O-N 2.91Å; K94-I97 VanDerWaalsContact O-N 3.13Å; K94-E98 WeakPolarHBondContact O-CB 3.3Å; K94-E98 PolarHBondContact O-N 3.44Å |
| 95 | E | 96.6 | Very high | 96 | Very high | 124 Ų | 124 | 109.6 Ų | 109.6 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.6 | -39.7 | 176.2 | -73.3 | -178 | 172.6 | 0 | 0 | 111.8 | I91 E98 K99 | I91-E95 HydrophobicContact CG2-CG 4.36Å; I91-E95 WeakPolarHBondContact O-CG 3.49Å; I91-E95 PolarHBondContact O-N 2.97Å; E95-E98 PolarHBondContact O-N 3.42Å; E95-K99 VanDerWaalsContact O-CB 3.28Å; E95-K99 WeakPolarHBondContact O-CB 3.17Å; E95-K99 PolarHBondContact O-N 3.27Å |
| 96 | R | 97.6 | Very high | 95.9 | Very high | 150 Ų | 150 | 109.8 Ų | 109.8 | 57% | 0.566 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.4 | -39.5 | 176.8 | -169 | -177.2 | -63.4 | 171.7 | 1 | 112.2 | A92 L93 K94 R100 | A92-R96 WeakPolarHBondContact O-CB 3.48Å; A92-R96 PolarHBondContact O-N 3.45Å; A92-R96 VanDerWaalsContact O-N 3.16Å; L93-R96 PolarHBondContact O-N 3.37Å; K94-R96 VanDerWaalsContact C-N 3.28Å; K94-R96 PolarHBondContact O-N 3.28Å; R96-R100 WeakPolarHBondContact O-CG 3.32Å; R96-R100 PolarHBondContact O-N 3.46Å; R96-R100 VanDerWaalsContact O-N 3.12Å |
| 97 | I | 96.1 | Very high | 95.8 | Very high | 73 Ų | 73 | 108.3 Ų | 108.3 | 37% | 0.374 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.4 | -46.5 | 176.1 | -69.3 | 169.4 | 0 | 0 | 0 | 110.1 | L93 K94 K99 R100 R101 | L93-I97 HydrophobicContact CD1-CD1 4.43Å; L93-I97 HydrophobicContact CG-CD1 4.18Å; L93-I97 WeakPolarHBondContact O-CG1 3.34Å; L93-I97 PolarHBondContact O-N 3.28Å; K94-I97 PolarHBondContact O-N 2.91Å; K94-I97 VanDerWaalsContact O-N 3.13Å; I97-K99 VanDerWaalsContact C-N 3.35Å; I97-K99 PolarHBondContact O-N 3.06Å; I97-R100 PolarHBondContact O-N 2.89Å; I97-R101 PolarHBondContact O-N 3.19Å |
| 98 | E | 96.3 | Very high | 95.7 | Very high | 139 Ų | 139 | 110.2 Ų | 110.2 | 65% | 0.65 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.6 | -44.9 | 178.4 | -172.4 | 173.6 | -173.7 | 0 | 0 | 111.1 | K94 E95 R100 R101 A102 | K94-E98 WeakPolarHBondContact O-CB 3.3Å; K94-E98 PolarHBondContact O-N 3.44Å; E95-E98 PolarHBondContact O-N 3.42Å; E98-R100 PolarHBondContact O-N 3.42Å; E98-R101 PolarHBondContact O-N 3.34Å; E98-R101 VanDerWaalsContact O-N 3.15Å; E98-A102 WeakPolarHBondContact O-CB 3.48Å; E98-A102 PolarHBondContact O-N 3.47Å |
| 99 | K | 97.3 | Very high | 95.5 | Very high | 136 Ų | 136 | 114.4 Ų | 114.4 | 59% | 0.591 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.3 | -45.7 | 173.8 | -175.1 | 176.8 | 177.7 | -179.5 | 0 | 112.3 | E95 I97 R101 A102 E103 | E95-K99 VanDerWaalsContact O-CB 3.28Å; E95-K99 WeakPolarHBondContact O-CB 3.17Å; E95-K99 PolarHBondContact O-N 3.27Å; I97-K99 VanDerWaalsContact C-N 3.35Å; I97-K99 PolarHBondContact O-N 3.06Å; K99-R101 VanDerWaalsContact C-N 3.35Å; K99-R101 PolarHBondContact O-N 3.46Å; K99-A102 PolarHBondContact O-N 2.93Å; K99-E103 WeakPolarHBondContact CE-OE1 3.4Å; K99-E103 WeakPolarHBondContact O-CB 3.28Å; K99-E103 WeakPolarHBondContact O-CG 3.48Å; K99-E103 PolarHBondContact O-N 2.88Å |
| 100 | R | 96.4 | Very high | 95.4 | Very high | 140 Ų | 140 | 110.8 Ų | 110.8 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 176.8 | -72.1 | 178.4 | -167.5 | 176.7 | 3.4 | 112.7 | R96 I97 E98 R104 | R96-R100 WeakPolarHBondContact O-CG 3.32Å; R96-R100 PolarHBondContact O-N 3.46Å; R96-R100 VanDerWaalsContact O-N 3.12Å; I97-R100 PolarHBondContact O-N 2.89Å; E98-R100 PolarHBondContact O-N 3.42Å; R100-R104 WeakPolarHBondContact O-CG 3.43Å; R100-R104 PolarHBondContact O-N 3.22Å; R100-R104 PolarHBondContact O-NE 3.4Å |
| 101 | R | 96.3 | Very high | 95.3 | Very high | 168 Ų | 168 | 114.9 Ų | 114.9 | 63% | 0.634 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.5 | -44.7 | 175 | -76.3 | -178.1 | 175.1 | -175.3 | -3.4 | 110.5 | I97 E98 K99 R104 A105 | I97-R101 PolarHBondContact O-N 3.19Å; E98-R101 PolarHBondContact O-N 3.34Å; E98-R101 VanDerWaalsContact O-N 3.15Å; K99-R101 VanDerWaalsContact C-N 3.35Å; K99-R101 PolarHBondContact O-N 3.46Å; R101-R104 PolarHBondContact O-N 3.49Å; R101-A105 WeakPolarHBondContact O-CB 3.5Å; R101-A105 PolarHBondContact O-N 2.83Å |
| 102 | A | 93.1 | Very high | 95.2 | Very high | 57 Ų | 57 | 113.5 Ų | 113.5 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E98 K99 R104 A105 E106 | E98-A102 WeakPolarHBondContact O-CB 3.48Å; E98-A102 PolarHBondContact O-N 3.47Å; K99-A102 PolarHBondContact O-N 2.93Å; A102-R104 VanDerWaalsContact C-N 3.35Å; A102-R104 PolarHBondContact O-N 2.83Å; A102-A105 PolarHBondContact O-N 2.88Å; A102-E106 WeakPolarHBondContact O-CB 3.17Å; A102-E106 PolarHBondContact O-N 3.16Å |
| 103 | E | 95.8 | Very high | 94.9 | Very high | 87 Ų | 87 | 117.9 Ų | 117.9 | 41% | 0.407 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 175.5 | -75.3 | 171.4 | -175.1 | 0 | 0 | 112 | K99 E106 Q107 | K99-E103 WeakPolarHBondContact CE-OE1 3.4Å; K99-E103 WeakPolarHBondContact O-CB 3.28Å; K99-E103 WeakPolarHBondContact O-CG 3.48Å; K99-E103 PolarHBondContact O-N 2.88Å; E103-E106 PolarHBondContact O-N 3.47Å; E103-Q107 WeakPolarHBondContact O-CB 3.42Å; E103-Q107 VanDerWaalsContact O-CG 3.3Å; E103-Q107 WeakPolarHBondContact O-CG 3.36Å; E103-Q107 PolarHBondContact O-N 3.33Å |
| 104 | R | 96.4 | Very high | 94.8 | Very high | 142 Ų | 142 | 119.6 Ų | 119.6 | 54% | 0.536 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65 | -45.1 | 174.9 | -81.2 | -176 | -89.9 | 137.9 | -15.1 | 112.2 | R100 R101 A102 E106 Q107 Q108 | R100-R104 WeakPolarHBondContact O-CG 3.43Å; R100-R104 PolarHBondContact O-N 3.22Å; R100-R104 PolarHBondContact O-NE 3.4Å; R101-R104 PolarHBondContact O-N 3.49Å; A102-R104 VanDerWaalsContact C-N 3.35Å; A102-R104 PolarHBondContact O-N 2.83Å; R104-E106 VanDerWaalsContact C-N 3.32Å; R104-E106 PolarHBondContact O-N 3.15Å; R104-Q107 PolarHBondContact O-N 2.91Å; R104-Q108 PolarHBondContact O-N 2.77Å |
| 105 | A | 94.2 | Very high | 94.5 | Very high | 46 Ų | 46 | 117.8 Ų | 117.8 | 38% | 0.38 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R101 A102 Q108 R109 | R101-A105 WeakPolarHBondContact O-CB 3.5Å; R101-A105 PolarHBondContact O-N 2.83Å; A102-A105 PolarHBondContact O-N 2.88Å; A105-Q108 PolarHBondContact O-N 3.35Å; A105-R109 WeakPolarHBondContact O-CG 3.3Å; A105-R109 PolarHBondContact O-N 2.94Å |
| 106 | E | 93.9 | Very high | 94.2 | Very high | 122 Ų | 122 | 120.4 Ų | 120.4 | 57% | 0.57 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.6 | -43.4 | 175.5 | -169.8 | -179.5 | -177.4 | 0 | 0 | 111.6 | A102 E103 R104 Q108 R109 I110 | A102-E106 WeakPolarHBondContact O-CB 3.17Å; A102-E106 PolarHBondContact O-N 3.16Å; E103-E106 PolarHBondContact O-N 3.47Å; R104-E106 VanDerWaalsContact C-N 3.32Å; R104-E106 PolarHBondContact O-N 3.15Å; E106-Q108 VanDerWaalsContact C-N 3.34Å; E106-Q108 PolarHBondContact O-N 3.47Å; E106-R109 PolarHBondContact O-N 2.95Å; E106-I110 HydrophobicContact CG-CD1 4.03Å; E106-I110 WeakPolarHBondContact O-CG1 3.37Å; E106-I110 PolarHBondContact O-N 3.36Å |
| 107 | Q | 94.6 | Very high | 93.9 | Very high | 103 Ų | 103 | 118 Ų | 118 | 48% | 0.481 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 174.7 | -75.7 | 179.3 | 18.8 | 0 | 0 | 112.4 | E103 R104 I110 R111 | E103-Q107 WeakPolarHBondContact O-CB 3.42Å; E103-Q107 VanDerWaalsContact O-CG 3.3Å; E103-Q107 WeakPolarHBondContact O-CG 3.36Å; E103-Q107 PolarHBondContact O-N 3.33Å; R104-Q107 PolarHBondContact O-N 2.91Å; Q107-I110 PolarHBondContact O-N 2.88Å; Q107-R111 WeakPolarHBondContact O-CG 3.32Å; Q107-R111 PolarHBondContact O-N 3.48Å |
| 108 | Q | 91.9 | Very high | 93.6 | Very high | 135 Ų | 135 | 122.4 Ų | 122.4 | 63% | 0.631 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.9 | -44.4 | 174.8 | -76.7 | 177.7 | -23.1 | 0 | 0 | 111.4 | R104 A105 E106 I110 R111 A112 | R104-Q108 PolarHBondContact O-N 2.77Å; A105-Q108 PolarHBondContact O-N 3.35Å; E106-Q108 VanDerWaalsContact C-N 3.34Å; E106-Q108 PolarHBondContact O-N 3.47Å; Q108-I110 PolarHBondContact O-N 3.45Å; Q108-R111 PolarHBondContact O-N 3.22Å; Q108-A112 WeakPolarHBondContact O-CB 3.43Å; Q108-A112 PolarHBondContact O-N 3.44Å |
| 109 | R | 92 | Very high | 93.1 | Very high | 197 Ų | 197 | 120.9 Ų | 120.9 | 74% | 0.743 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.8 | -44.4 | 175.7 | -74.2 | -172.2 | 68.9 | 167.8 | 1.9 | 112.5 | A105 E106 R111 A112 E113 | A105-R109 WeakPolarHBondContact O-CG 3.3Å; A105-R109 PolarHBondContact O-N 2.94Å; E106-R109 PolarHBondContact O-N 2.95Å; R109-R111 VanDerWaalsContact C-N 3.34Å; R109-R111 PolarHBondContact O-N 2.98Å; R109-A112 PolarHBondContact O-N 3.43Å; R109-E113 VanDerWaalsContact O-CB 3.32Å; R109-E113 WeakPolarHBondContact O-CB 3.47Å; R109-E113 PolarHBondContact O-N 3.01Å |
| 110 | I | 93.7 | Very high | 92.6 | Very high | 68 Ų | 68 | 118.8 Ų | 118.8 | 35% | 0.349 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 177.4 | -68.4 | 167.1 | 0 | 0 | 0 | 110.9 | E106 Q107 Q108 K114 | E106-I110 HydrophobicContact CG-CD1 4.03Å; E106-I110 WeakPolarHBondContact O-CG1 3.37Å; E106-I110 PolarHBondContact O-N 3.36Å; Q107-I110 PolarHBondContact O-N 2.88Å; Q108-I110 PolarHBondContact O-N 3.45Å; I110-K114 HydrophobicContact CG2-CD 4.07Å; I110-K114 HydrophobicContact CG2-CG 4.49Å; I110-K114 WeakPolarHBondContact O-CB 3.32Å; I110-K114 VanDerWaalsContact O-CG 3.3Å; I110-K114 WeakPolarHBondContact O-CG 3.38Å; I110-K114 PolarHBondContact O-N 3.47Å |
| 111 | R | 93.2 | Very high | 92.1 | Very high | 172 Ų | 172 | 119.3 Ų | 119.3 | 65% | 0.649 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.1 | -47.5 | 175.6 | -74.5 | 178.3 | -171.8 | 166.6 | 5 | 111.3 | Q107 Q108 R109 E113 K114 E115 | Q107-R111 WeakPolarHBondContact O-CG 3.32Å; Q107-R111 PolarHBondContact O-N 3.48Å; Q108-R111 PolarHBondContact O-N 3.22Å; R109-R111 VanDerWaalsContact C-N 3.34Å; R109-R111 PolarHBondContact O-N 2.98Å; R111-E113 VanDerWaalsContact C-N 3.34Å; R111-E113 PolarHBondContact O-N 2.84Å; R111-K114 PolarHBondContact O-N 3.21Å; R111-E115 PolarHBondContact O-N 2.95Å |
| 112 | A | 92.6 | Very high | 91.6 | Very high | 63 Ų | 63 | 116.3 Ų | 116.3 | 52% | 0.521 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q108 R109 E115 R116 | Q108-A112 WeakPolarHBondContact O-CB 3.43Å; Q108-A112 PolarHBondContact O-N 3.44Å; R109-A112 PolarHBondContact O-N 3.43Å; A112-E115 PolarHBondContact O-N 2.85Å; A112-R116 VanDerWaalsContact O-CB 3.32Å; A112-R116 WeakPolarHBondContact O-CB 3.4Å; A112-R116 PolarHBondContact O-N 3.41Å |
| 113 | E | 92.2 | Very high | 91.1 | Very high | 137 Ų | 137 | 116.3 Ų | 116.3 | 64% | 0.64 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.6 | -44.3 | 176.6 | -175.2 | 172.8 | -161.9 | 0 | 0 | 112 | R109 R111 E115 R116 E117 | R109-E113 VanDerWaalsContact O-CB 3.32Å; R109-E113 WeakPolarHBondContact O-CB 3.47Å; R109-E113 PolarHBondContact O-N 3.01Å; R111-E113 VanDerWaalsContact C-N 3.34Å; R111-E113 PolarHBondContact O-N 2.84Å; E113-E115 VanDerWaalsContact C-N 3.35Å; E113-E115 PolarHBondContact O-N 2.77Å; E113-R116 PolarHBondContact O-N 2.88Å; E113-E117 WeakPolarHBondContact O-CB 3.44Å; E113-E117 PolarHBondContact O-N 3.46Å |
| 114 | K | 94 | Very high | 90.4 | Very high | 125 Ų | 125 | 119 Ų | 119 | 54% | 0.543 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 175.6 | -77.5 | 177 | -179.8 | 175.7 | 0 | 112.5 | I110 R111 E117 R118 | I110-K114 HydrophobicContact CG2-CD 4.07Å; I110-K114 HydrophobicContact CG2-CG 4.49Å; I110-K114 WeakPolarHBondContact O-CB 3.32Å; I110-K114 VanDerWaalsContact O-CG 3.3Å; I110-K114 WeakPolarHBondContact O-CG 3.38Å; I110-K114 PolarHBondContact O-N 3.47Å; R111-K114 PolarHBondContact O-N 3.21Å; K114-E117 PolarHBondContact O-N 3.37Å; K114-R118 WeakPolarHBondContact O-CG 3.38Å; K114-R118 PolarHBondContact O-N 3.45Å |
| 115 | E | 90.7 | Very high | 89.7 | Confident | 89 Ų | 89 | 117.9 Ų | 117.9 | 42% | 0.416 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.9 | -43.7 | 176.2 | -173.5 | 52.9 | -144.4 | 0 | 0 | 110.8 | R111 A112 E113 E117 R118 Q119 | R111-E115 PolarHBondContact O-N 2.95Å; A112-E115 PolarHBondContact O-N 2.85Å; E113-E115 VanDerWaalsContact C-N 3.35Å; E113-E115 PolarHBondContact O-N 2.77Å; E115-E117 VanDerWaalsContact C-N 3.3Å; E115-E117 PolarHBondContact O-N 2.89Å; E115-R118 WeakPolarHBondContact O-CB 3.37Å; E115-R118 PolarHBondContact O-N 2.93Å; E115-R118 VanDerWaalsContact O-N 3.17Å; E115-Q119 WeakPolarHBondContact O-CG 3.45Å; E115-Q119 PolarHBondContact O-N 2.85Å; E115-Q119 PolarHBondContact OE1-NE2 3.43Å |
| 116 | R | 90.9 | Very high | 89.1 | Confident | 180 Ų | 180 | 122.1 Ų | 122.1 | 68% | 0.679 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59.4 | -40.3 | 173.3 | -172.4 | 179.9 | 176.9 | -168.8 | -1.7 | 112.3 | A112 E113 Q119 N120 | A112-R116 VanDerWaalsContact O-CB 3.32Å; A112-R116 WeakPolarHBondContact O-CB 3.4Å; A112-R116 PolarHBondContact O-N 3.41Å; E113-R116 PolarHBondContact O-N 2.88Å; R116-Q119 PolarHBondContact O-N 3.02Å; R116-N120 WeakPolarHBondContact O-CB 3.34Å; R116-N120 PolarHBondContact O-N 2.82Å; R116-N120 PolarHBondContact O-ND2 2.99Å |
| 117 | E | 90.9 | Very high | 88.5 | Confident | 98 Ų | 98 | 118.8 Ų | 118.8 | 46% | 0.458 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.7 | -41 | 176.3 | -162.9 | -157.5 | 148.1 | 0 | 0 | 111.6 | E113 K114 E115 N120 R121 | E113-E117 WeakPolarHBondContact O-CB 3.44Å; E113-E117 PolarHBondContact O-N 3.46Å; K114-E117 PolarHBondContact O-N 3.37Å; E115-E117 VanDerWaalsContact C-N 3.3Å; E115-E117 PolarHBondContact O-N 2.89Å; E117-N120 PolarHBondContact O-N 3.36Å; E117-R121 WeakPolarHBondContact O-CB 3.32Å; E117-R121 PolarHBondContact O-N 2.91Å; E117-R121 IonicContact OE1-CZ 3.83Å; E117-R121 IonicContact OE1-NH2 3.83Å; E117-R121 PolarHBondContact OE1-NH2 3.34Å |
| 118 | R | 90.3 | Very high | 87.6 | Confident | 166 Ų | 166 | 121.1 Ų | 121.1 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.4 | -47.2 | 174.8 | -75.2 | 175 | 175.6 | -166.4 | -1.5 | 111.8 | K114 E115 N120 R121 L122 | K114-R118 WeakPolarHBondContact O-CG 3.38Å; K114-R118 PolarHBondContact O-N 3.45Å; E115-R118 WeakPolarHBondContact O-CB 3.37Å; E115-R118 PolarHBondContact O-N 2.93Å; E115-R118 VanDerWaalsContact O-N 3.17Å; R118-N120 VanDerWaalsContact C-N 3.32Å; R118-N120 PolarHBondContact O-N 3.31Å; R118-R121 PolarHBondContact O-N 3.26Å; R118-L122 WeakPolarHBondContact O-CG 3.38Å; R118-L122 PolarHBondContact O-N 3.38Å |
| 119 | Q | 85.4 | Confident | 87 | Confident | 107 Ų | 107 | 123 Ų | 123 | 50% | 0.5 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.8 | -44.1 | 176 | -67.8 | -64.3 | -22.6 | 0 | 0 | 111.2 | E115 R116 L122 A123 | E115-Q119 WeakPolarHBondContact O-CG 3.45Å; E115-Q119 PolarHBondContact O-N 2.85Å; E115-Q119 PolarHBondContact OE1-NE2 3.43Å; R116-Q119 PolarHBondContact O-N 3.02Å; Q119-L122 PolarHBondContact O-N 2.91Å; Q119-A123 WeakPolarHBondContact O-CB 3.35Å; Q119-A123 PolarHBondContact O-N 3.17Å |
| 120 | N | 85.7 | Confident | 86.2 | Confident | 92 Ų | 92 | 119.1 Ų | 119.1 | 49% | 0.492 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64 | -41 | 176.7 | -73 | -15.4 | 0 | 0 | 0 | 112.3 | R116 E117 R118 A123 E124 | R116-N120 WeakPolarHBondContact O-CB 3.34Å; R116-N120 PolarHBondContact O-N 2.82Å; R116-N120 PolarHBondContact O-ND2 2.99Å; E117-N120 PolarHBondContact O-N 3.36Å; R118-N120 VanDerWaalsContact C-N 3.32Å; R118-N120 PolarHBondContact O-N 3.31Å; N120-A123 PolarHBondContact O-N 3.15Å; N120-E124 VanDerWaalsContact O-CB 3.3Å; N120-E124 WeakPolarHBondContact O-CB 3.3Å; N120-E124 PolarHBondContact O-N 3.1Å |
| 121 | R | 86.9 | Confident | 85.2 | Confident | 151 Ų | 151 | 122.6 Ų | 122.6 | 57% | 0.57 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.9 | -41 | 177.9 | -169.6 | -177.7 | -59.8 | -172.5 | 2.4 | 111.9 | E117 R118 E124 E125 | E117-R121 WeakPolarHBondContact O-CB 3.32Å; E117-R121 PolarHBondContact O-N 2.91Å; E117-R121 IonicContact OE1-CZ 3.83Å; E117-R121 IonicContact OE1-NH2 3.83Å; E117-R121 PolarHBondContact OE1-NH2 3.34Å; R118-R121 PolarHBondContact O-N 3.26Å; R121-E124 PolarHBondContact O-N 2.88Å; R121-E125 WeakPolarHBondContact O-CB 3.39Å; R121-E125 PolarHBondContact O-N 2.8Å |
| 122 | L | 84.4 | Confident | 84.4 | Confident | 105 Ų | 105 | 119.3 Ų | 119.3 | 55% | 0.55 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.9 | -40.3 | 174.3 | -70.1 | 172.6 | 0 | 0 | 0 | 111.6 | R118 Q119 K126 | R118-L122 WeakPolarHBondContact O-CG 3.38Å; R118-L122 PolarHBondContact O-N 3.38Å; Q119-L122 PolarHBondContact O-N 2.91Å; L122-K126 WeakPolarHBondContact O-CB 3.2Å; L122-K126 PolarHBondContact O-N 3.26Å |
| 123 | A | 83.6 | Confident | 83.6 | Confident | 58 Ų | 58 | 119.3 Ų | 119.3 | 48% | 0.479 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q119 N120 A127 | Q119-A123 WeakPolarHBondContact O-CB 3.35Å; Q119-A123 PolarHBondContact O-N 3.17Å; N120-A123 PolarHBondContact O-N 3.15Å; A123-A127 VanDerWaalsContact O-CB 3.23Å; A123-A127 WeakPolarHBondContact O-CB 3.36Å; A123-A127 PolarHBondContact O-N 3.49Å |
| 124 | E | 81.5 | Confident | 82.8 | Confident | 143 Ų | 143 | 115.4 Ų | 115.4 | 67% | 0.668 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.8 | -41.5 | 178 | -171.6 | 178 | -178.3 | 0 | 0 | 111.9 | N120 R121 K126 A127 R128 | N120-E124 VanDerWaalsContact O-CB 3.3Å; N120-E124 WeakPolarHBondContact O-CB 3.3Å; N120-E124 PolarHBondContact O-N 3.1Å; R121-E124 PolarHBondContact O-N 2.88Å; E124-K126 VanDerWaalsContact C-N 3.34Å; E124-K126 PolarHBondContact O-N 2.81Å; E124-A127 PolarHBondContact O-N 2.97Å; E124-R128 WeakPolarHBondContact O-CB 3.23Å; E124-R128 PolarHBondContact O-N 2.86Å |
| 125 | E | 80.9 | Confident | 82.1 | Confident | 119 Ų | 119 | 115.8 Ų | 115.8 | 56% | 0.556 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63 | -42.5 | 173.8 | -171.8 | -173.5 | 164 | 0 | 0 | 111.1 | R121 R128 R129 | R121-E125 WeakPolarHBondContact O-CB 3.39Å; R121-E125 PolarHBondContact O-N 2.8Å; E125-R128 PolarHBondContact O-N 2.93Å; E125-R129 WeakPolarHBondContact O-CB 3.47Å; E125-R129 PolarHBondContact O-N 3.39Å |
| 126 | K | 82.1 | Confident | 81.5 | Confident | 135 Ų | 135 | 119.3 Ų | 119.3 | 59% | 0.587 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.4 | -42.9 | 173.9 | -173.8 | 177.2 | 178.1 | -177 | 0 | 111.4 | L122 E124 R129 E130 | L122-K126 WeakPolarHBondContact O-CB 3.2Å; L122-K126 PolarHBondContact O-N 3.26Å; E124-K126 VanDerWaalsContact C-N 3.34Å; E124-K126 PolarHBondContact O-N 2.81Å; K126-R129 PolarHBondContact O-N 2.79Å; K126-E130 VanDerWaalsContact CE-OE1 3.23Å; K126-E130 WeakPolarHBondContact CE-OE1 3.38Å; K126-E130 WeakPolarHBondContact O-CB 3.3Å; K126-E130 VanDerWaalsContact O-CG 3.3Å; K126-E130 WeakPolarHBondContact O-CG 3.23Å; K126-E130 PolarHBondContact O-N 2.86Å |
| 127 | A | 80.1 | Confident | 80.9 | Confident | 51 Ų | 51 | 118.6 Ų | 118.6 | 42% | 0.421 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | A123 E124 E130 E131 | A123-A127 VanDerWaalsContact O-CB 3.23Å; A123-A127 WeakPolarHBondContact O-CB 3.36Å; A123-A127 PolarHBondContact O-N 3.49Å; E124-A127 PolarHBondContact O-N 2.97Å; A127-E130 PolarHBondContact O-N 3.28Å; A127-E131 WeakPolarHBondContact O-CB 3.33Å; A127-E131 PolarHBondContact O-N 3.13Å |
| 128 | R | 76.4 | Confident | 80.4 | Confident | 152 Ų | 152 | 116.3 Ų | 116.3 | 57% | 0.574 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.9 | -40.3 | 176.3 | -158.2 | -170.9 | 89.4 | -148.4 | -1.2 | 111.5 | E124 E125 E131 E132 | E124-R128 WeakPolarHBondContact O-CB 3.23Å; E124-R128 PolarHBondContact O-N 2.86Å; E125-R128 PolarHBondContact O-N 2.93Å; R128-E131 PolarHBondContact O-N 3.42Å; R128-E132 IonicContact CZ-OE1 2.63Å; R128-E132 IonicContact NE-OE1 3.87Å; R128-E132 PolarHBondContact NE-OE1 3.47Å; R128-E132 IonicContact NH2-OE1 2.92Å; R128-E132 WeakPolarHBondContact O-CB 3.47Å; R128-E132 WeakPolarHBondContact O-CG 3.35Å; R128-E132 PolarHBondContact O-N 3.17Å |
| 129 | R | 79.2 | Confident | 79.8 | Confident | 175 Ų | 175 | 113.4 Ų | 113.4 | 66% | 0.66 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.5 | -41 | 174.3 | -170.6 | 174 | -177 | 172.2 | 1.9 | 111.8 | E125 K126 E131 D133 | E125-R129 WeakPolarHBondContact O-CB 3.47Å; E125-R129 PolarHBondContact O-N 3.39Å; K126-R129 PolarHBondContact O-N 2.79Å; R129-E131 VanDerWaalsContact C-N 3.34Å; R129-D133 WeakPolarHBondContact O-CB 3.4Å; R129-D133 PolarHBondContact O-N 2.93Å |
| 130 | E | 76 | Confident | 79.5 | Confident | 116 Ų | 116 | 112.5 Ų | 112.5 | 54% | 0.542 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.2 | -35.4 | 174.1 | -74.7 | 177.5 | -167.1 | 0 | 0 | 112 | K126 A127 A134 | K126-E130 VanDerWaalsContact CE-OE1 3.23Å; K126-E130 WeakPolarHBondContact CE-OE1 3.38Å; K126-E130 WeakPolarHBondContact O-CB 3.3Å; K126-E130 VanDerWaalsContact O-CG 3.3Å; K126-E130 WeakPolarHBondContact O-CG 3.23Å; K126-E130 PolarHBondContact O-N 2.86Å; A127-E130 PolarHBondContact O-N 3.28Å; E130-A134 WeakPolarHBondContact O-CB 3.45Å; E130-A134 PolarHBondContact O-N 3.49Å |
| 131 | E | 71.4 | Confident | 78.9 | Confident | 140 Ų | 140 | 112.5 Ų | 112.5 | 65% | 0.654 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.8 | -42.7 | 175.4 | -170.5 | 177.7 | -173.6 | 0 | 0 | 112 | A127 R128 R129 A134 K135 | A127-E131 WeakPolarHBondContact O-CB 3.33Å; A127-E131 PolarHBondContact O-N 3.13Å; R128-E131 PolarHBondContact O-N 3.42Å; R129-E131 VanDerWaalsContact C-N 3.34Å; E131-A134 PolarHBondContact O-N 3.12Å; E131-K135 VanDerWaalsContact O-CB 3.29Å; E131-K135 WeakPolarHBondContact O-CB 3.4Å; E131-K135 PolarHBondContact O-N 3.28Å |
| 132 | E | 76.6 | Confident | 78.3 | Confident | 103 Ų | 103 | 111.4 Ų | 111.4 | 48% | 0.481 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 174.2 | -74.3 | 174.2 | -155.5 | 0 | 0 | 111.4 | R128 K135 R136 | R128-E132 IonicContact CZ-OE1 2.63Å; R128-E132 IonicContact NE-OE1 3.87Å; R128-E132 PolarHBondContact NE-OE1 3.47Å; R128-E132 IonicContact NH2-OE1 2.92Å; R128-E132 WeakPolarHBondContact O-CB 3.47Å; R128-E132 WeakPolarHBondContact O-CG 3.35Å; R128-E132 PolarHBondContact O-N 3.17Å; E132-K135 PolarHBondContact O-N 2.98Å; E132-R136 WeakPolarHBondContact O-CB 3.3Å; E132-R136 PolarHBondContact O-N 2.92Å |
| 133 | D | 75.9 | Confident | 77.9 | Confident | 64 Ų | 64 | 113.9 Ų | 113.9 | 34% | 0.342 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.2 | -35.6 | 174.8 | -83.9 | -23.4 | 0 | 0 | 0 | 112.3 | R129 R137 | R129-D133 WeakPolarHBondContact O-CB 3.4Å; R129-D133 PolarHBondContact O-N 2.93Å; D133-R137 WeakPolarHBondContact O-CB 3.35Å; D133-R137 VanDerWaalsContact O-CG 3.28Å; D133-R137 WeakPolarHBondContact O-CG 3.42Å; D133-R137 PolarHBondContact O-N 3.25Å |
| 134 | A | 76.4 | Confident | 77.4 | Confident | 55 Ų | 55 | 116.8 Ų | 116.8 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.3 | -40.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E130 E131 R137 A138 | E130-A134 WeakPolarHBondContact O-CB 3.45Å; E130-A134 PolarHBondContact O-N 3.49Å; E131-A134 PolarHBondContact O-N 3.12Å; A134-R137 PolarHBondContact O-N 2.91Å; A134-A138 VanDerWaalsContact O-CB 3.29Å; A134-A138 WeakPolarHBondContact O-CB 3.33Å; A134-A138 PolarHBondContact O-N 2.86Å |
| 135 | K | 78.1 | Confident | 76.7 | Confident | 133 Ų | 133 | 112.9 Ų | 112.9 | 58% | 0.578 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.1 | -44.5 | 175.9 | -172.4 | 178.4 | 176.8 | -175.1 | 0 | 111.2 | E131 E132 R137 A138 E139 | E131-K135 VanDerWaalsContact O-CB 3.29Å; E131-K135 WeakPolarHBondContact O-CB 3.4Å; E131-K135 PolarHBondContact O-N 3.28Å; E132-K135 PolarHBondContact O-N 2.98Å; K135-R137 PolarHBondContact O-N 2.93Å; K135-A138 PolarHBondContact O-N 3.48Å; K135-E139 VanDerWaalsContact CE-OE1 3.26Å; K135-E139 WeakPolarHBondContact CE-OE1 3.41Å; K135-E139 WeakPolarHBondContact O-CB 3.13Å; K135-E139 WeakPolarHBondContact O-CG 3.34Å; K135-E139 PolarHBondContact O-N 3.18Å |
| 136 | R | 78.8 | Confident | 76.2 | Confident | 162 Ų | 162 | 115.4 Ų | 115.4 | 61% | 0.611 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.6 | -44.2 | 174.6 | -174.6 | -180 | 172.4 | -164.6 | 1.8 | 111.8 | E132 A138 E139 D140 | E132-R136 WeakPolarHBondContact O-CB 3.3Å; E132-R136 PolarHBondContact O-N 2.92Å; R136-A138 VanDerWaalsContact C-N 3.33Å; R136-A138 PolarHBondContact O-N 3.4Å; R136-E139 PolarHBondContact O-N 3.03Å; R136-D140 WeakPolarHBondContact O-CB 3.4Å; R136-D140 PolarHBondContact O-N 3.16Å |
| 137 | R | 79.2 | Confident | 75.5 | Confident | 166 Ų | 166 | 112 Ų | 112 | 63% | 0.626 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63 | -38.4 | 174 | -75.5 | -173.1 | -170.6 | 110.9 | 1 | 112.2 | D133 A134 K135 D141 | D133-R137 WeakPolarHBondContact O-CB 3.35Å; D133-R137 VanDerWaalsContact O-CG 3.28Å; D133-R137 WeakPolarHBondContact O-CG 3.42Å; D133-R137 PolarHBondContact O-N 3.25Å; A134-R137 PolarHBondContact O-N 2.91Å; K135-R137 PolarHBondContact O-N 2.93Å; R137-D141 VanDerWaalsContact O-CB 3.26Å; R137-D141 WeakPolarHBondContact O-CB 3.38Å; R137-D141 PolarHBondContact O-N 3.37Å |
| 138 | A | 78.4 | Confident | 74.6 | Confident | 49 Ų | 49 | 111.8 Ų | 111.8 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.7 | -37.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A134 K135 R136 M142 | A134-A138 VanDerWaalsContact O-CB 3.29Å; A134-A138 WeakPolarHBondContact O-CB 3.33Å; A134-A138 PolarHBondContact O-N 2.86Å; K135-A138 PolarHBondContact O-N 3.48Å; R136-A138 VanDerWaalsContact C-N 3.33Å; R136-A138 PolarHBondContact O-N 3.4Å; A138-M142 VanDerWaalsContact O-CB 3.29Å; A138-M142 WeakPolarHBondContact O-CB 3.47Å; A138-M142 WeakPolarHBondContact O-CG 3.5Å; A138-M142 PolarHBondContact O-N 2.84Å |
| 139 | E | 79.1 | Confident | 73.9 | Confident | 106 Ų | 106 | 108.2 Ų | 108.2 | 50% | 0.495 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69 | -43.2 | 174.8 | -74.4 | 176.8 | -167.4 | 0 | 0 | 111.8 | K135 R136 M142 K143 | K135-E139 VanDerWaalsContact CE-OE1 3.26Å; K135-E139 WeakPolarHBondContact CE-OE1 3.41Å; K135-E139 WeakPolarHBondContact O-CB 3.13Å; K135-E139 WeakPolarHBondContact O-CG 3.34Å; K135-E139 PolarHBondContact O-N 3.18Å; R136-E139 PolarHBondContact O-N 3.03Å; E139-M142 PolarHBondContact O-N 2.81Å; E139-K143 VanDerWaalsContact O-CB 3.28Å; E139-K143 WeakPolarHBondContact O-CB 3.28Å; E139-K143 PolarHBondContact O-N 3.33Å |
| 140 | D | 78.1 | Confident | 72.9 | Confident | 88 Ų | 88 | 105.1 Ų | 105.1 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 174.2 | -76.9 | -25 | 0 | 0 | 0 | 111.3 | R136 K143 K144 | R136-D140 WeakPolarHBondContact O-CB 3.4Å; R136-D140 PolarHBondContact O-N 3.16Å; D140-K143 PolarHBondContact O-N 2.79Å; D140-K144 WeakPolarHBondContact O-CB 3.35Å; D140-K144 PolarHBondContact O-N 2.69Å |
| 141 | D | 73.3 | Confident | 72.1 | Confident | 91 Ų | 91 | 107.6 Ų | 107.6 | 49% | 0.487 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67 | -38.6 | 173.9 | -87 | -14 | 0 | 0 | 0 | 111.7 | R137 K144 K145 | R137-D141 VanDerWaalsContact O-CB 3.26Å; R137-D141 WeakPolarHBondContact O-CB 3.38Å; R137-D141 PolarHBondContact O-N 3.37Å; D141-K144 PolarHBondContact O-N 3.37Å; D141-K145 VanDerWaalsContact O-CB 3.27Å; D141-K145 WeakPolarHBondContact O-CB 3.38Å; D141-K145 WeakPolarHBondContact O-CG 3.48Å; D141-K145 PolarHBondContact O-N 3.32Å |
| 142 | M | 74.1 | Confident | 71.4 | Confident | 128 Ų | 128 | 102.7 Ų | 102.7 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.1 | -40 | 174.3 | -83.7 | -148.2 | -74.6 | 0 | 0 | 112.1 | A138 E139 K144 K145 K146 | A138-M142 VanDerWaalsContact O-CB 3.29Å; A138-M142 WeakPolarHBondContact O-CB 3.47Å; A138-M142 WeakPolarHBondContact O-CG 3.5Å; A138-M142 PolarHBondContact O-N 2.84Å; E139-M142 PolarHBondContact O-N 2.81Å; M142-K144 VanDerWaalsContact C-N 3.35Å; M142-K145 PolarHBondContact O-N 3.4Å; M142-K146 VanDerWaalsContact O-CB 3.27Å; M142-K146 WeakPolarHBondContact O-CB 3.36Å; M142-K146 PolarHBondContact O-N 3.04Å |
| 143 | K | 76.4 | Confident | 70.6 | Confident | 157 Ų | 157 | 102.1 Ų | 102.1 | 68% | 0.683 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.2 | -39.7 | 175.8 | -167.2 | 173.9 | -177.3 | 178.9 | 0 | 110.8 | E139 D140 K146 A147 | E139-K143 VanDerWaalsContact O-CB 3.28Å; E139-K143 WeakPolarHBondContact O-CB 3.28Å; E139-K143 PolarHBondContact O-N 3.33Å; D140-K143 PolarHBondContact O-N 2.79Å; K143-K146 PolarHBondContact O-N 3.44Å; K143-A147 WeakPolarHBondContact O-CB 3.5Å; K143-A147 PolarHBondContact O-N 3.19Å |
| 144 | K | 72.7 | Confident | 69.9 | Low | 120 Ų | 120 | 106.3 Ų | 106.3 | 52% | 0.522 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.9 | -42.7 | 173.3 | -175.5 | 170.8 | -176.7 | -179.9 | 0 | 112.2 | D140 D141 M142 A147 L148 | D140-K144 WeakPolarHBondContact O-CB 3.35Å; D140-K144 PolarHBondContact O-N 2.69Å; D141-K144 PolarHBondContact O-N 3.37Å; M142-K144 VanDerWaalsContact C-N 3.35Å; K144-A147 PolarHBondContact O-N 3.1Å; K144-L148 HydrophobicContact CD-CD1 4.39Å; K144-L148 HydrophobicContact CG-CD1 3.49Å; K144-L148 VanDerWaalsContact CG-CD1 3.49Å; K144-L148 VanDerWaalsContact O-CB 3.3Å; K144-L148 WeakPolarHBondContact O-CB 3.29Å; K144-L148 WeakPolarHBondContact O-CD1 3.29Å; K144-L148 VanDerWaalsContact O-CG 3.25Å; K144-L148 WeakPolarHBondContact O-CG 3.26Å; K144-L148 PolarHBondContact O-N 2.92Å |
| 145 | K | 68.3 | Low | 69 | Low | 61 Ų | 61 | 107.9 Ų | 107.9 | 27% | 0.265 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.9 | -43.4 | 171.5 | -76.5 | -175.5 | -177 | 176 | 0 | 111 | D141 M142 L148 S149 L159 D163 | D141-K145 VanDerWaalsContact O-CB 3.27Å; D141-K145 WeakPolarHBondContact O-CB 3.38Å; D141-K145 WeakPolarHBondContact O-CG 3.48Å; D141-K145 PolarHBondContact O-N 3.32Å; M142-K145 PolarHBondContact O-N 3.4Å; K145-L148 PolarHBondContact O-N 3.45Å; K145-S149 WeakPolarHBondContact O-CB 3.4Å; K145-S149 PolarHBondContact O-N 3.33Å; K145-L159 HydrophobicContact CB-CD1 4.37Å; K145-L159 HydrophobicContact CD-CD1 4.43Å; K145-L159 HydrophobicContact CD-CD2 4.47Å; K145-L159 HydrophobicContact CG-CD1 3.61Å; K145-L159 HydrophobicContact CG-CD2 3.99Å; K145-L159 HydrophobicContact CG-CG 4.24Å; K145-D163 IonicContact NZ-OD2 2.77Å; K145-D163 PolarHBondContact NZ-OD2 2.86Å |
| 146 | K | 70.2 | Confident | 68.2 | Low | 172 Ų | 172 | 104.4 Ų | 104.4 | 75% | 0.748 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.2 | -40.9 | 178.2 | -168.2 | 172.3 | -177.7 | 178 | 0 | 111.6 | M142 K143 S150 | M142-K146 VanDerWaalsContact O-CB 3.27Å; M142-K146 WeakPolarHBondContact O-CB 3.36Å; M142-K146 PolarHBondContact O-N 3.04Å; K143-K146 PolarHBondContact O-N 3.44Å; K146-S150 PolarHBondContact O-N 3.36Å |
| 147 | A | 67.6 | Low | 67.3 | Low | 64 Ų | 64 | 99.6 Ų | 99.6 | 53% | 0.529 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K143 K144 S150 | K143-A147 WeakPolarHBondContact O-CB 3.5Å; K143-A147 PolarHBondContact O-N 3.19Å; K144-A147 PolarHBondContact O-N 3.1Å; A147-S150 VanDerWaalsContact O-CB 3.32Å; A147-S150 WeakPolarHBondContact O-CB 3.43Å; A147-S150 PolarHBondContact O-N 3.5Å |
| 148 | L | 60.8 | Low | 66.7 | Low | 45 Ų | 45 | 99.5 Ų | 99.5 | 24% | 0.236 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -83.3 | -22.6 | -177.4 | -67.8 | 159 | 0 | 0 | 0 | 113.3 | K144 K145 S150 M151 Y155 | K144-L148 HydrophobicContact CD-CD1 4.39Å; K144-L148 HydrophobicContact CG-CD1 3.49Å; K144-L148 VanDerWaalsContact CG-CD1 3.49Å; K144-L148 VanDerWaalsContact O-CB 3.3Å; K144-L148 WeakPolarHBondContact O-CB 3.29Å; K144-L148 WeakPolarHBondContact O-CD1 3.29Å; K144-L148 VanDerWaalsContact O-CG 3.25Å; K144-L148 WeakPolarHBondContact O-CG 3.26Å; K144-L148 PolarHBondContact O-N 2.92Å; K145-L148 PolarHBondContact O-N 3.45Å; L148-S150 PolarHBondContact O-N 3.46Å; L148-M151 PolarHBondContact O-N 2.88Å; L148-Y155 HydrophobicContact CB-CD1 3.33Å; L148-Y155 HydrophobicContact CB-CE1 3.44Å; L148-Y155 VanDerWaalsContact CB-CE1 3.44Å; L148-Y155 HydrophobicContact CB-CG 4.3Å; L148-Y155 HydrophobicContact CD1-CD1 4Å; L148-Y155 HydrophobicContact CD1-CE1 3.16Å; L148-Y155 HydrophobicContact CD2-CD1 4.36Å; L148-Y155 HydrophobicContact CD2-CE1 4.18Å; L148-Y155 HydrophobicContact CG-CD1 4.06Å; L148-Y155 HydrophobicContact CG-CE1 3.73Å |
| 149 | S | 60.6 | Low | 65.9 | Low | 78 Ų | 78 | 98.9 Ų | 98.9 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.6 | -16.7 | 169.2 | -160.7 | 0 | 0 | 0 | 0 | 112.1 | K145 M151 | K145-S149 WeakPolarHBondContact O-CB 3.4Å; K145-S149 PolarHBondContact O-N 3.33Å; S149-M151 VanDerWaalsContact C-N 3.34Å |
| 150 | S | 59.5 | Low | 65.2 | Low | 110 Ų | 110 | 96.3 Ų | 96.3 | 77% | 0.769 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -13.1 | 167.6 | -168.4 | 0 | 0 | 0 | 0 | 113.2 | K146 A147 L148 | K146-S150 PolarHBondContact O-N 3.36Å; A147-S150 VanDerWaalsContact O-CB 3.32Å; A147-S150 WeakPolarHBondContact O-CB 3.43Å; A147-S150 PolarHBondContact O-N 3.5Å; L148-S150 PolarHBondContact O-N 3.46Å |
| 151 | M | 58.3 | Low | 64.5 | Low | 168 Ų | 168 | 99 Ų | 99 | 83% | 0.828 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -112.3 | 12.7 | -170.6 | -157.5 | 156.8 | 163.9 | 0 | 0 | 114.3 | L148 S149 | L148-M151 PolarHBondContact O-N 2.88Å; S149-M151 VanDerWaalsContact C-N 3.34Å |
| 152 | G | 57.3 | Low | 63.9 | Low | 37 Ų | 37 | 96.8 Ų | 96.8 | 38% | 0.381 | 53% | 0.531 | S | S | . | . | trans | 132.4 | 143.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | N154 Y155 | G152-N154 PolarHBondContact O-N 2.87Å; G152-Y155 PolarHBondContact O-N 2.83Å | ||
| 153 | A | 60 | Low | 63.1 | Low | 91 Ų | 91 | 95 Ų | 95 | 75% | 0.752 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.1 | -13 | -172 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 154 | N | 60.8 | Low | 62.3 | Low | 151 Ų | 151 | 95.5 Ų | 95.5 | 81% | 0.807 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -85.6 | -21.8 | -178.2 | -69.1 | -33.8 | 0 | 0 | 0 | 114.1 | G152 | G152-N154 PolarHBondContact O-N 2.87Å |
| 155 | Y | 58 | Low | 61.6 | Low | 88 Ų | 88 | 98.4 Ų | 98.4 | 35% | 0.345 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -83.8 | -29.7 | -178.7 | -168.3 | -99 | 0 | 0 | 0 | 112.9 | L148 G152 S157 Y158 L159 | L148-Y155 HydrophobicContact CB-CD1 3.33Å; L148-Y155 HydrophobicContact CB-CE1 3.44Å; L148-Y155 VanDerWaalsContact CB-CE1 3.44Å; L148-Y155 HydrophobicContact CB-CG 4.3Å; L148-Y155 HydrophobicContact CD1-CD1 4Å; L148-Y155 HydrophobicContact CD1-CE1 3.16Å; L148-Y155 HydrophobicContact CD2-CD1 4.36Å; L148-Y155 HydrophobicContact CD2-CE1 4.18Å; L148-Y155 HydrophobicContact CG-CD1 4.06Å; L148-Y155 HydrophobicContact CG-CE1 3.73Å; G152-Y155 PolarHBondContact O-N 2.83Å; Y155-S157 VanDerWaalsContact C-N 3.3Å; Y155-S157 PolarHBondContact O-N 3.19Å; Y155-Y158 PolarHBondContact O-N 3.37Å; Y155-L159 HydrophobicContact CD1-CD1 3.46Å; Y155-L159 VanDerWaalsContact CD1-CD1 3.46Å; Y155-L159 HydrophobicContact CD1-CG 4.32Å; Y155-L159 HydrophobicContact CE1-CD1 3.22Å; Y155-L159 HydrophobicContact CE1-CD2 4.47Å; Y155-L159 HydrophobicContact CE1-CG 3.9Å; Y155-L159 PolarHBondContact O-N 2.76Å |
| 156 | S | 60.3 | Low | 61.1 | Low | 61 Ų | 61 | 106.3 Ų | 106.3 | 43% | 0.427 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.6 | -36.7 | 176.9 | -174.7 | 0 | 0 | 0 | 0 | 112.9 | Y158 A160 | S156-Y158 PolarHBondContact O-N 2.81Å; S156-A160 PolarHBondContact O-N 3.45Å; S156-A160 VanDerWaalsContact O-N 3.14Å |
| 157 | S | 61.3 | Low | 60.5 | Low | 61 Ų | 61 | 100.4 Ų | 100.4 | 43% | 0.427 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.1 | -38.4 | 175.2 | 160.1 | 0 | 0 | 0 | 0 | 113.5 | Y155 K161 | Y155-S157 VanDerWaalsContact C-N 3.3Å; Y155-S157 PolarHBondContact O-N 3.19Å; S157-K161 WeakPolarHBondContact O-CG 3.37Å; S157-K161 PolarHBondContact O-N 3.36Å |
| 158 | Y | 65.3 | Low | 60 | Low | 164 Ų | 164 | 107.9 Ų | 107.9 | 64% | 0.643 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -70 | -40 | -178.6 | -174.9 | -100.4 | 0 | 0 | 0 | 111.7 | Y155 S156 K161 A162 | Y155-Y158 PolarHBondContact O-N 3.37Å; S156-Y158 PolarHBondContact O-N 2.81Å; Y158-K161 PolarHBondContact O-N 3.35Å; Y158-A162 WeakPolarHBondContact O-CB 3.43Å; Y158-A162 PolarHBondContact O-N 2.85Å |
| 159 | L | 62 | Low | 60 | Low | 35 Ų | 35 | 114.4 Ų | 114.4 | 18% | 0.183 | 60% | 0.604 | C | S | . | * | H | α-helix | trans | -68.9 | -39.2 | 176.9 | -76.9 | 157.8 | 0 | 0 | 0 | 112.9 | K145 Y155 K161 A162 D163 | K145-L159 HydrophobicContact CB-CD1 4.37Å; K145-L159 HydrophobicContact CD-CD1 4.43Å; K145-L159 HydrophobicContact CD-CD2 4.47Å; K145-L159 HydrophobicContact CG-CD1 3.61Å; K145-L159 HydrophobicContact CG-CD2 3.99Å; K145-L159 HydrophobicContact CG-CG 4.24Å; Y155-L159 HydrophobicContact CD1-CD1 3.46Å; Y155-L159 VanDerWaalsContact CD1-CD1 3.46Å; Y155-L159 HydrophobicContact CD1-CG 4.32Å; Y155-L159 HydrophobicContact CE1-CD1 3.22Å; Y155-L159 HydrophobicContact CE1-CD2 4.47Å; Y155-L159 HydrophobicContact CE1-CG 3.9Å; Y155-L159 PolarHBondContact O-N 2.76Å; L159-K161 VanDerWaalsContact C-N 3.32Å; L159-K161 PolarHBondContact O-N 2.9Å; L159-A162 PolarHBondContact O-N 3.48Å; L159-D163 PolarHBondContact O-N 3.21Å |
| 160 | A | 64.5 | Low | 60 | Low | 53 Ų | 53 | 115 Ų | 115 | 44% | 0.438 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.7 | -37.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | S156 Q164 | S156-A160 PolarHBondContact O-N 3.45Å; S156-A160 VanDerWaalsContact O-N 3.14Å; A160-Q164 PolarHBondContact O-N 3.5Å; A160-Q164 VanDerWaalsContact O-N 3.16Å |
| 161 | K | 63.1 | Low | 61 | Low | 145 Ų | 145 | 112.5 Ų | 112.5 | 63% | 0.63 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -71.1 | -33.5 | 174.6 | -72.5 | 178.9 | -179.7 | 179.8 | 0 | 113 | S157 Y158 L159 | S157-K161 WeakPolarHBondContact O-CG 3.37Å; S157-K161 PolarHBondContact O-N 3.36Å; Y158-K161 PolarHBondContact O-N 3.35Å; L159-K161 VanDerWaalsContact C-N 3.32Å; L159-K161 PolarHBondContact O-N 2.9Å |
| 162 | A | 61 | Low | 62.2 | Low | 43 Ų | 43 | 108.7 Ų | 108.7 | 36% | 0.355 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.4 | -38.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y158 L159 K165 | Y158-A162 WeakPolarHBondContact O-CB 3.43Å; Y158-A162 PolarHBondContact O-N 2.85Å; L159-A162 PolarHBondContact O-N 3.48Å; A162-K165 PolarHBondContact O-N 2.82Å |
| 163 | D | 57 | Low | 63.5 | Low | 91 Ų | 91 | 117.2 Ų | 117.2 | 49% | 0.487 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -72 | -42.6 | 178.9 | -121.4 | -15.6 | 0 | 0 | 0 | 112.7 | K145 L159 K165 R166 G167 | K145-D163 IonicContact NZ-OD2 2.77Å; K145-D163 PolarHBondContact NZ-OD2 2.86Å; L159-D163 PolarHBondContact O-N 3.21Å; D163-K165 PolarHBondContact O-N 3.45Å; D163-K165 VanDerWaalsContact O-N 3.09Å; D163-R166 PolarHBondContact O-N 2.94Å; D163-G167 PolarHBondContact O-N 2.96Å |
| 164 | Q | 60.5 | Low | 64.7 | Low | 167 Ų | 167 | 117.4 Ų | 117.4 | 78% | 0.78 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.4 | -19.3 | 174.9 | -81.6 | -167.7 | -39.4 | 0 | 0 | 113.5 | A160 | A160-Q164 PolarHBondContact O-N 3.5Å; A160-Q164 VanDerWaalsContact O-N 3.16Å |
| 165 | K | 56.9 | Low | 66.1 | Low | 182 Ų | 182 | 115.3 Ų | 115.3 | 79% | 0.791 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -16.7 | 177.9 | -155.9 | -178.4 | -179.3 | -169.1 | 0 | 113.3 | A162 D163 | A162-K165 PolarHBondContact O-N 2.82Å; D163-K165 PolarHBondContact O-N 3.45Å; D163-K165 VanDerWaalsContact O-N 3.09Å |
| 166 | R | 57.4 | Low | 67.7 | Low | 227 Ų | 227 | 117.8 Ų | 117.8 | 86% | 0.857 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | -15.5 | -171.2 | -75.9 | 177.4 | 100.8 | 148.5 | 1.3 | 115.4 | D163 | D163-R166 PolarHBondContact O-N 2.94Š|
| 167 | G | 57.8 | Low | 69.3 | Low | 47 Ų | 47 | 122.7 Ų | 122.7 | 49% | 0.485 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -139.5 | 130.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D163 | D163-G167 PolarHBondContact O-N 2.96Š|
| 168 | K | 57.8 | Low | 70.8 | Confident | 221 Ų | 221 | 125.8 Ų | 125.8 | 96% | 0.961 | 60% | 0.599 | S | S | * | * | S | Bend | trans | 86 | -2 | 160.8 | -59.6 | 179.7 | 174 | 179.6 | 0 | 120.4 | ||
| 169 | K | 61.8 | Low | 72.2 | Confident | 183 Ų | 183 | 121.1 Ų | 121.1 | 80% | 0.796 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -116.6 | 118.5 | 165.1 | -71.3 | -176.7 | 179.8 | -179.3 | 0 | 108.3 | T171 | K169-T171 PolarHBondContact O-N 3.4Š|
| 170 | Q | 60.3 | Low | 73.7 | Confident | 89 Ų | 89 | 123.9 Ų | 123.9 | 42% | 0.416 | 60% | 0.598 | S | S | . | * | trans | -45.3 | 118.8 | 164.9 | -171.6 | 173.8 | 31 | 0 | 0 | 106.3 | A172 E174 M175 | Q170-A172 PolarHBondContact O-N 3.45Å; Q170-E174 WeakPolarHBondContact CA-OE2 3.43Å; Q170-E174 HydrophobicContact CG-CB 3.33Å; Q170-E174 HydrophobicContact CG-CG 4.42Å; Q170-E174 WeakPolarHBondContact CG-OE2 3.44Å; Q170-E174 PolarHBondContact NE2-O 3.21Å; Q170-M175 HydrophobicContact CG-CB 4.3Å | ||
| 171 | T | 79.9 | Confident | 75.1 | Confident | 58 Ų | 58 | 124.5 Ų | 124.5 | 36% | 0.356 | 60% | 0.603 | S | S | . | * | trans | -59.4 | 149.4 | -172.6 | 61.2 | 0 | 0 | 0 | 0 | 108 | K169 R173 E174 M175 | K169-T171 PolarHBondContact O-N 3.4Å; T171-R173 CarbonylContact O-C 3.54Å; T171-R173 PolarHBondContact O-N 3.09Å; T171-E174 WeakPolarHBondContact CG2-OE1 3.43Å; T171-E174 PolarHBondContact N-OE2 3.25Å; T171-E174 VanDerWaalsContact N-OE2 3.09Å; T171-E174 WeakPolarHBondContact O-CA 3.49Å; T171-E174 PolarHBondContact O-N 3.46Å; T171-E174 WeakPolarHBondContact OG1-CG 3.45Å; T171-E174 PolarHBondContact OG1-N 3.05Å; T171-E174 PolarHBondContact OG1-OE1 3.44Å; T171-M175 PolarHBondContact O-N 3.38Å | ||
| 172 | A | 84.1 | Confident | 76.6 | Confident | 89 Ų | 89 | 124.9 Ų | 124.9 | 74% | 0.736 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -51.9 | -26.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q170 K176 | Q170-A172 PolarHBondContact O-N 3.45Å; A172-K176 VanDerWaalsContact O-CB 3.26Å; A172-K176 WeakPolarHBondContact O-CB 3.49Å; A172-K176 PolarHBondContact O-N 2.87Å |
| 173 | R | 83 | Confident | 78.1 | Confident | 215 Ų | 215 | 131.6 Ų | 131.6 | 81% | 0.811 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.9 | -50 | 171.9 | -170.9 | 179.8 | -173.9 | -166.7 | 1.8 | 113 | T171 K176 K177 | T171-R173 CarbonylContact O-C 3.54Å; T171-R173 PolarHBondContact O-N 3.09Å; R173-K176 PolarHBondContact O-N 3.2Å; R173-K177 WeakPolarHBondContact O-CB 3.26Å; R173-K177 PolarHBondContact O-N 2.94Å |
| 174 | E | 87 | Confident | 79.8 | Confident | 96 Ų | 96 | 137 Ų | 137 | 45% | 0.449 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -64.3 | -40.6 | 176.9 | -74.6 | 150.5 | -136 | 0 | 0 | 111.8 | Q170 T171 K177 K178 | Q170-E174 WeakPolarHBondContact CA-OE2 3.43Å; Q170-E174 HydrophobicContact CG-CB 3.33Å; Q170-E174 HydrophobicContact CG-CG 4.42Å; Q170-E174 WeakPolarHBondContact CG-OE2 3.44Å; Q170-E174 PolarHBondContact NE2-O 3.21Å; T171-E174 WeakPolarHBondContact CG2-OE1 3.43Å; T171-E174 PolarHBondContact N-OE2 3.25Å; T171-E174 VanDerWaalsContact N-OE2 3.09Å; T171-E174 WeakPolarHBondContact O-CA 3.49Å; T171-E174 PolarHBondContact O-N 3.46Å; T171-E174 WeakPolarHBondContact OG1-CG 3.45Å; T171-E174 PolarHBondContact OG1-N 3.05Å; T171-E174 PolarHBondContact OG1-OE1 3.44Å; E174-K177 PolarHBondContact O-N 3.48Å; E174-K178 WeakPolarHBondContact O-CB 3.17Å; E174-K178 PolarHBondContact O-N 3.01Å |
| 175 | M | 89 | Confident | 81.2 | Confident | 107 Ų | 107 | 137.9 Ų | 137.9 | 53% | 0.527 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -64.5 | -43.8 | 177.6 | -164.7 | 179 | -144.6 | 0 | 0 | 110.8 | Q170 T171 K177 K178 I179 | Q170-M175 HydrophobicContact CG-CB 4.3Å; T171-M175 PolarHBondContact O-N 3.38Å; M175-K177 PolarHBondContact O-N 2.78Å; M175-K178 PolarHBondContact O-N 2.96Å; M175-I179 HydrophobicContact CG-CD1 4.11Å; M175-I179 VanDerWaalsContact O-CG1 3.29Å; M175-I179 WeakPolarHBondContact O-CG1 3.27Å; M175-I179 PolarHBondContact O-N 2.86Å |
| 176 | K | 92.6 | Very high | 82.8 | Confident | 140 Ų | 140 | 135.1 Ų | 135.1 | 61% | 0.609 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -58.8 | -45.7 | 171.7 | -179.4 | -179.9 | 178.2 | -179 | 0 | 111.4 | A172 R173 K178 I179 L180 | A172-K176 VanDerWaalsContact O-CB 3.26Å; A172-K176 WeakPolarHBondContact O-CB 3.49Å; A172-K176 PolarHBondContact O-N 2.87Å; R173-K176 PolarHBondContact O-N 3.2Å; K176-K178 PolarHBondContact O-N 3.1Å; K176-I179 PolarHBondContact O-N 3.43Å; K176-L180 HydrophobicContact CG-CD1 3.91Å; K176-L180 HydrophobicContact CG-CG 4.37Å; K176-L180 WeakPolarHBondContact O-CB 3.44Å; K176-L180 VanDerWaalsContact O-CG 3.27Å; K176-L180 WeakPolarHBondContact O-CG 3.28Å; K176-L180 PolarHBondContact O-N 3.17Å |
| 177 | K | 93.1 | Very high | 84.5 | Confident | 163 Ų | 163 | 128.9 Ų | 128.9 | 71% | 0.709 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.8 | -42.6 | 179.8 | -167.6 | 179.4 | -178.7 | -173.9 | 0 | 111.3 | R173 E174 M175 L180 A181 | R173-K177 WeakPolarHBondContact O-CB 3.26Å; R173-K177 PolarHBondContact O-N 2.94Å; E174-K177 PolarHBondContact O-N 3.48Å; M175-K177 PolarHBondContact O-N 2.78Å; K177-L180 PolarHBondContact O-N 3.39Å; K177-A181 WeakPolarHBondContact O-CB 3.14Å; K177-A181 PolarHBondContact O-N 3.45Å |
| 178 | K | 92.9 | Very high | 86 | Confident | 127 Ų | 127 | 131.6 Ų | 131.6 | 55% | 0.552 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -60.9 | -51.4 | 176.5 | -175.1 | -179.7 | 177.2 | -177.3 | 0 | 111.5 | E174 M175 K176 L180 A181 E182 | E174-K178 WeakPolarHBondContact O-CB 3.17Å; E174-K178 PolarHBondContact O-N 3.01Å; M175-K178 PolarHBondContact O-N 2.96Å; K176-K178 PolarHBondContact O-N 3.1Å; K178-L180 VanDerWaalsContact C-N 3.32Å; K178-L180 PolarHBondContact O-N 3.34Å; K178-A181 PolarHBondContact O-N 3.44Å; K178-E182 PolarHBondContact O-N 3Å |
| 179 | I | 93.6 | Very high | 87.7 | Confident | 65 Ų | 65 | 123.9 Ų | 123.9 | 33% | 0.333 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62 | -40.5 | 179.7 | -66.5 | 166.1 | 0 | 0 | 0 | 111.2 | M175 K176 E182 R183 | M175-I179 HydrophobicContact CG-CD1 4.11Å; M175-I179 VanDerWaalsContact O-CG1 3.29Å; M175-I179 WeakPolarHBondContact O-CG1 3.27Å; M175-I179 PolarHBondContact O-N 2.86Å; K176-I179 PolarHBondContact O-N 3.43Å; I179-E182 PolarHBondContact O-N 2.81Å; I179-R183 VanDerWaalsContact O-CG 3.32Å; I179-R183 WeakPolarHBondContact O-CG 3.29Å; I179-R183 PolarHBondContact O-N 3.31Å |
| 180 | L | 94.9 | Very high | 89.3 | Confident | 93 Ų | 93 | 122.6 Ų | 122.6 | 49% | 0.487 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.8 | -37.3 | 177.4 | -72 | 175.8 | 0 | 0 | 0 | 112.5 | K176 K177 K178 R183 R184 | K176-L180 HydrophobicContact CG-CD1 3.91Å; K176-L180 HydrophobicContact CG-CG 4.37Å; K176-L180 WeakPolarHBondContact O-CB 3.44Å; K176-L180 VanDerWaalsContact O-CG 3.27Å; K176-L180 WeakPolarHBondContact O-CG 3.28Å; K176-L180 PolarHBondContact O-N 3.17Å; K177-L180 PolarHBondContact O-N 3.39Å; K178-L180 VanDerWaalsContact C-N 3.32Å; K178-L180 PolarHBondContact O-N 3.34Å; L180-R183 PolarHBondContact O-N 2.83Å; L180-R184 WeakPolarHBondContact O-CB 3.35Å; L180-R184 PolarHBondContact O-N 3.41Å; L180-R184 VanDerWaalsContact O-N 3.09Å |
| 181 | A | 93.5 | Very high | 90.8 | Very high | 66 Ų | 66 | 124.8 Ų | 124.8 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.9 | -42.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K177 K178 R183 R184 | K177-A181 WeakPolarHBondContact O-CB 3.14Å; K177-A181 PolarHBondContact O-N 3.45Å; K178-A181 PolarHBondContact O-N 3.44Å; A181-R183 VanDerWaalsContact C-N 3.34Å; A181-R183 PolarHBondContact O-N 2.81Å; A181-R184 PolarHBondContact O-N 2.73Å |
| 182 | E | 93.8 | Very high | 91.5 | Very high | 153 Ų | 153 | 124.1 Ų | 124.1 | 72% | 0.715 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.4 | -37.1 | 176.6 | -174.6 | 178.2 | 178.4 | 0 | 0 | 112.6 | K178 I179 R184 | K178-E182 PolarHBondContact O-N 3Å; I179-E182 PolarHBondContact O-N 2.81Å; E182-R184 VanDerWaalsContact C-N 3.34Å |
| 183 | R | 93.7 | Very high | 92.1 | Very high | 184 Ų | 184 | 122.9 Ų | 122.9 | 69% | 0.694 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -73.7 | -24.6 | 175.6 | -70 | 176.1 | -173.5 | -164.5 | -0.3 | 113.5 | I179 L180 A181 K185 | I179-R183 VanDerWaalsContact O-CG 3.32Å; I179-R183 WeakPolarHBondContact O-CG 3.29Å; I179-R183 PolarHBondContact O-N 3.31Å; L180-R183 PolarHBondContact O-N 2.83Å; A181-R183 VanDerWaalsContact C-N 3.34Å; A181-R183 PolarHBondContact O-N 2.81Å; R183-K185 PolarHBondContact O-N 2.86Å |
| 184 | R | 92.8 | Very high | 92.7 | Very high | 205 Ų | 205 | 117.1 Ų | 117.1 | 77% | 0.774 | 57% | 0.572 | S | S | * | * | trans | -81.7 | 102 | -178.2 | -176.5 | 178.4 | 176.1 | -124.1 | 1 | 109.4 | L180 A181 E182 | L180-R184 WeakPolarHBondContact O-CB 3.35Å; L180-R184 PolarHBondContact O-N 3.41Å; L180-R184 VanDerWaalsContact O-N 3.09Å; A181-R184 PolarHBondContact O-N 2.73Å; E182-R184 VanDerWaalsContact C-N 3.34Å | ||
| 185 | K | 89.3 | Confident | 93.1 | Very high | 186 Ų | 186 | 118.1 Ų | 118.1 | 81% | 0.809 | 58% | 0.58 | S | S | * | * | trans | -72.9 | 130.4 | 169.8 | -62.6 | -179.6 | -176.7 | 177.7 | 0 | 109.2 | R183 L187 | R183-K185 PolarHBondContact O-N 2.86Å; K185-L187 PolarHBondContact O-N 3.4Å | ||
| 186 | P | 91.3 | Very high | 93.4 | Very high | 124 Ų | 124 | 119.2 Ų | 119.2 | 81% | 0.805 | 58% | 0.582 | S | S | * | * | trans | -61.1 | 137.8 | 171.9 | 26.3 | -32.2 | 0 | 0 | 0 | 109.1 | ||||
| 187 | L | 91.9 | Very high | 93.6 | Very high | 96 Ų | 96 | 115.6 Ų | 115.6 | 50% | 0.503 | 57% | 0.569 | S | S | . | * | trans | -94.9 | 114.4 | 179.9 | -173.9 | 65 | 0 | 0 | 0 | 107.8 | K185 I189 K200 L204 | K185-L187 PolarHBondContact O-N 3.4Å; L187-I189 HydrophobicContact CD1-CG2 3.64Å; L187-I189 HydrophobicContact CD2-CD1 4.11Å; L187-I189 HydrophobicContact CD2-CG2 4.31Å; L187-I189 HydrophobicContact CG-CD1 4.46Å; L187-I189 HydrophobicContact CG-CG1 4.33Å; L187-I189 HydrophobicContact CG-CG2 3.73Å; L187-K200 HydrophobicContact CD1-CG 4.37Å; L187-L204 HydrophobicContact CD1-CD1 4.1Å; L187-L204 HydrophobicContact CD2-CD1 4.32Å | ||
| 188 | N | 90.5 | Very high | 93.8 | Very high | 104 Ų | 104 | 114.8 Ų | 114.8 | 56% | 0.556 | 56% | 0.561 | S | S | * | * | trans | -114.2 | 106.7 | 173.8 | -174.2 | 5.6 | 0 | 0 | 0 | 108 | H191 | N188-H191 PolarHBondContact ND2-CE1 3.41Å; N188-H191 PolarHBondContact OD1-CE1 3.09Å; N188-H191 PolarHBondContact OD1-ND1 3.07Å; N188-H191 VanDerWaalsContact OD1-ND1 3.12Å | ||
| 189 | I | 93.7 | Very high | 93.9 | Very high | 59 Ų | 59 | 112.9 Ų | 112.9 | 30% | 0.303 | 56% | 0.557 | S | S | . | * | trans | -129 | -8.1 | -172.1 | 54.3 | 167.7 | 0 | 0 | 0 | 113.8 | L187 H191 L192 L197 K200 | L187-I189 HydrophobicContact CD1-CG2 3.64Å; L187-I189 HydrophobicContact CD2-CD1 4.11Å; L187-I189 HydrophobicContact CD2-CG2 4.31Å; L187-I189 HydrophobicContact CG-CD1 4.46Å; L187-I189 HydrophobicContact CG-CG1 4.33Å; L187-I189 HydrophobicContact CG-CG2 3.73Å; I189-H191 PolarHBondContact O-N 3Å; I189-H191 VanDerWaalsContact O-N 3.1Å; I189-L192 PolarHBondContact O-N 2.9Å; I189-L192 VanDerWaalsContact O-N 3.15Å; I189-L197 HydrophobicContact CB-CD2 3.89Å; I189-L197 HydrophobicContact CG2-CD2 4.25Å; I189-K200 HydrophobicContact CG2-CG 4.32Å | ||
| 190 | D | 93.4 | Very high | 94.1 | Very high | 156 Ų | 156 | 113.1 Ų | 113.1 | 83% | 0.834 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -17.1 | -168.4 | -56.5 | -27.4 | 0 | 0 | 0 | 113.7 | ||
| 191 | H | 93.2 | Very high | 94.1 | Very high | 134 Ų | 134 | 111.4 Ų | 111.4 | 62% | 0.62 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | 13.7 | -177.8 | 61.8 | -70.9 | 0 | 0 | 0 | 112.6 | N188 I189 | N188-H191 PolarHBondContact ND2-CE1 3.41Å; N188-H191 PolarHBondContact OD1-CE1 3.09Å; N188-H191 PolarHBondContact OD1-ND1 3.07Å; N188-H191 VanDerWaalsContact OD1-ND1 3.12Å; I189-H191 PolarHBondContact O-N 3Å; I189-H191 VanDerWaalsContact O-N 3.1Å |
| 192 | L | 94.9 | Very high | 94.3 | Very high | 45 Ų | 45 | 114.4 Ų | 114.4 | 24% | 0.236 | 56% | 0.555 | C | S | . | * | trans | -93.8 | 145.7 | 179.7 | -88.1 | 63.2 | 0 | 0 | 0 | 112.1 | I189 K196 L197 | I189-L192 PolarHBondContact O-N 2.9Å; I189-L192 VanDerWaalsContact O-N 3.15Å; L192-K196 HydrophobicContact CB-CB 4.23Å; L192-K196 HydrophobicContact CD2-CB 4.08Å; L192-K196 HydrophobicContact CG-CB 4.11Å; L192-L197 HydrophobicContact CB-CD2 3.77Å; L192-L197 HydrophobicContact CB-CG 3.94Å; L192-L197 HydrophobicContact CD2-CD2 4.32Å | ||
| 193 | S | 96 | Very high | 94.4 | Very high | 63 Ų | 63 | 111.9 Ų | 111.9 | 44% | 0.441 | 54% | 0.544 | S | S | . | . | trans | -77.1 | 161.4 | 171.5 | 60.6 | 0 | 0 | 0 | 0 | 112.4 | D195 K196 L197 | S193-D195 VanDerWaalsContact C-N 3.33Å; S193-D195 PolarHBondContact O-N 2.85Å; S193-K196 PolarHBondContact O-N 2.89Å; S193-L197 WeakPolarHBondContact O-CG 3.29Å; S193-L197 PolarHBondContact O-N 2.97Å | ||
| 194 | D | 95.2 | Very high | 94.5 | Very high | 94 Ų | 94 | 107.2 Ų | 107.2 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -52.2 | -46.2 | -176.9 | -169.4 | 68.1 | 0 | 0 | 0 | 113 | K196 L197 R198 | D194-K196 PolarHBondContact O-N 3.49Å; D194-L197 WeakPolarHBondContact O-CB 3.46Å; D194-L197 PolarHBondContact O-N 2.96Å; D194-R198 WeakPolarHBondContact O-CG 3.48Å; D194-R198 PolarHBondContact O-N 3.22Å; D194-R198 IonicContact OD1-NH2 2.91Å; D194-R198 IonicContact OD2-CZ 2.69Å; D194-R198 VanDerWaalsContact OD2-CZ 3.29Å; D194-R198 IonicContact OD2-NE 3.71Å; D194-R198 PolarHBondContact OD2-NE 3.28Å; D194-R198 IonicContact OD2-NH2 3.84Å; D194-R198 PolarHBondContact OD2-NH2 2.99Å |
| 195 | D | 95.8 | Very high | 94.8 | Very high | 116 Ų | 116 | 104.9 Ų | 104.9 | 62% | 0.62 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61 | -42.8 | 178.4 | -66.3 | -34.7 | 0 | 0 | 0 | 112.2 | S193 L197 R198 D199 | S193-D195 VanDerWaalsContact C-N 3.33Å; S193-D195 PolarHBondContact O-N 2.85Å; D195-L197 VanDerWaalsContact C-N 3.34Å; D195-L197 PolarHBondContact O-N 3.06Å; D195-R198 WeakPolarHBondContact O-CB 3.41Å; D195-R198 PolarHBondContact O-N 2.96Å; D195-D199 PolarHBondContact O-N 3.5Å; D195-D199 VanDerWaalsContact O-N 3.16Å |
| 196 | K | 95.6 | Very high | 95.2 | Very high | 130 Ų | 130 | 100.3 Ų | 100.3 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.9 | -33.1 | 177.4 | -69.3 | -178.7 | 179.6 | 176.9 | 0 | 112 | L192 S193 D194 D199 K200 | L192-K196 HydrophobicContact CB-CB 4.23Å; L192-K196 HydrophobicContact CD2-CB 4.08Å; L192-K196 HydrophobicContact CG-CB 4.11Å; S193-K196 PolarHBondContact O-N 2.89Å; D194-K196 PolarHBondContact O-N 3.49Å; K196-D199 PolarHBondContact O-N 3.04Å; K196-K200 WeakPolarHBondContact O-CB 3.44Å; K196-K200 PolarHBondContact O-N 3.45Å |
| 197 | L | 96.1 | Very high | 95.4 | Very high | 64 Ų | 64 | 98.3 Ų | 98.3 | 34% | 0.335 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 174.2 | -70.2 | 173.1 | 0 | 0 | 0 | 111.4 | I189 L192 S193 D194 D195 K200 A201 | I189-L197 HydrophobicContact CB-CD2 3.89Å; I189-L197 HydrophobicContact CG2-CD2 4.25Å; L192-L197 HydrophobicContact CB-CD2 3.77Å; L192-L197 HydrophobicContact CB-CG 3.94Å; L192-L197 HydrophobicContact CD2-CD2 4.32Å; S193-L197 WeakPolarHBondContact O-CG 3.29Å; S193-L197 PolarHBondContact O-N 2.97Å; D194-L197 WeakPolarHBondContact O-CB 3.46Å; D194-L197 PolarHBondContact O-N 2.96Å; D195-L197 VanDerWaalsContact C-N 3.34Å; D195-L197 PolarHBondContact O-N 3.06Å; L197-K200 PolarHBondContact O-N 3.39Å; L197-A201 WeakPolarHBondContact O-CB 3.26Å; L197-A201 PolarHBondContact O-N 3.09Å |
| 198 | R | 97 | Very high | 95.6 | Very high | 147 Ų | 147 | 98.2 Ų | 98.2 | 56% | 0.555 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.5 | -43.4 | 174.6 | -69 | 172 | -172.2 | -82.7 | -8.2 | 112 | D194 D195 A201 K202 | D194-R198 WeakPolarHBondContact O-CG 3.48Å; D194-R198 PolarHBondContact O-N 3.22Å; D194-R198 IonicContact OD1-NH2 2.91Å; D194-R198 IonicContact OD2-CZ 2.69Å; D194-R198 VanDerWaalsContact OD2-CZ 3.29Å; D194-R198 IonicContact OD2-NE 3.71Å; D194-R198 PolarHBondContact OD2-NE 3.28Å; D194-R198 IonicContact OD2-NH2 3.84Å; D194-R198 PolarHBondContact OD2-NH2 2.99Å; D195-R198 WeakPolarHBondContact O-CB 3.41Å; D195-R198 PolarHBondContact O-N 2.96Å; R198-A201 PolarHBondContact O-N 2.9Å; R198-K202 WeakPolarHBondContact O-CG 3.32Å; R198-K202 PolarHBondContact O-N 3.49Å; R198-K202 VanDerWaalsContact O-N 3.1Å |
| 199 | D | 96.7 | Very high | 96 | Very high | 87 Ų | 87 | 99.6 Ų | 99.6 | 47% | 0.465 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.8 | -42.4 | 176.7 | -70 | -21.3 | 0 | 0 | 0 | 111.2 | D195 K196 A201 K202 E203 | D195-D199 PolarHBondContact O-N 3.5Å; D195-D199 VanDerWaalsContact O-N 3.16Å; K196-D199 PolarHBondContact O-N 3.04Å; D199-A201 VanDerWaalsContact C-N 3.31Å; D199-A201 PolarHBondContact O-N 3.4Å; D199-K202 WeakPolarHBondContact O-CB 3.41Å; D199-K202 PolarHBondContact O-N 2.95Å; D199-K202 IonicContact OD1-NZ 2.67Å; D199-E203 WeakPolarHBondContact O-CG 3.32Å; D199-E203 PolarHBondContact O-N 2.89Å |
| 200 | K | 95.9 | Very high | 96.2 | Very high | 69 Ų | 69 | 101.7 Ų | 101.7 | 30% | 0.3 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 174.8 | -164 | 72.6 | -150.9 | 159.4 | 0 | 112.6 | L187 I189 K196 L197 E203 L204 | L187-K200 HydrophobicContact CD1-CG 4.37Å; I189-K200 HydrophobicContact CG2-CG 4.32Å; K196-K200 WeakPolarHBondContact O-CB 3.44Å; K196-K200 PolarHBondContact O-N 3.45Å; L197-K200 PolarHBondContact O-N 3.39Å; K200-E203 IonicContact NZ-OE2 3.86Å; K200-E203 PolarHBondContact NZ-OE2 3.13Å; K200-E203 PolarHBondContact O-N 3.36Å; K200-L204 HydrophobicContact CG-CD1 4.48Å; K200-L204 VanDerWaalsContact O-CG 3.3Å; K200-L204 WeakPolarHBondContact O-CG 3.5Å; K200-L204 PolarHBondContact O-N 2.93Å |
| 201 | A | 96.8 | Very high | 96.4 | Very high | 57 Ų | 57 | 99 Ų | 99 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L197 R198 D199 L204 W205 | L197-A201 WeakPolarHBondContact O-CB 3.26Å; L197-A201 PolarHBondContact O-N 3.09Å; R198-A201 PolarHBondContact O-N 2.9Å; D199-A201 VanDerWaalsContact C-N 3.31Å; D199-A201 PolarHBondContact O-N 3.4Å; A201-L204 PolarHBondContact O-N 3.33Å; A201-W205 WeakPolarHBondContact O-CB 3.27Å; A201-W205 PolarHBondContact O-N 3.36Å |
| 202 | K | 97.5 | Very high | 96.6 | Very high | 129 Ų | 129 | 98.1 Ų | 98.1 | 56% | 0.561 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.8 | -48 | 174.1 | -71.3 | 172.3 | -174 | 163.6 | 0 | 111.7 | R198 D199 L204 W205 D206 | R198-K202 WeakPolarHBondContact O-CG 3.32Å; R198-K202 PolarHBondContact O-N 3.49Å; R198-K202 VanDerWaalsContact O-N 3.1Å; D199-K202 WeakPolarHBondContact O-CB 3.41Å; D199-K202 PolarHBondContact O-N 2.95Å; D199-K202 IonicContact OD1-NZ 2.67Å; K202-L204 VanDerWaalsContact C-N 3.31Å; K202-L204 PolarHBondContact O-N 2.87Å; K202-W205 WeakPolarHBondContact O-CB 3.32Å; K202-W205 PolarHBondContact O-N 2.74Å; K202-W205 VanDerWaalsContact O-N 3.1Å; K202-D206 PolarHBondContact O-N 3.4Å |
| 203 | E | 95.7 | Very high | 96.7 | Very high | 100 Ų | 100 | 97.9 Ų | 97.9 | 47% | 0.467 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.1 | -42.4 | 177.7 | -70.9 | 179.3 | 179.1 | 0 | 0 | 112.8 | D199 K200 W205 T207 | D199-E203 WeakPolarHBondContact O-CG 3.32Å; D199-E203 PolarHBondContact O-N 2.89Å; K200-E203 IonicContact NZ-OE2 3.86Å; K200-E203 PolarHBondContact NZ-OE2 3.13Å; K200-E203 PolarHBondContact O-N 3.36Å; E203-W205 VanDerWaalsContact C-N 3.35Å; E203-T207 WeakPolarHBondContact O-CB 3.48Å; E203-T207 PolarHBondContact O-N 2.91Å; E203-T207 PolarHBondContact O-OG1 2.8Å |
| 204 | L | 96.1 | Very high | 96.8 | Very high | 86 Ų | 86 | 97.3 Ų | 97.3 | 45% | 0.45 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 177 | -71.5 | 174 | 0 | 0 | 0 | 111.4 | L187 K200 A201 K202 T207 L208 | L187-L204 HydrophobicContact CD1-CD1 4.1Å; L187-L204 HydrophobicContact CD2-CD1 4.32Å; K200-L204 HydrophobicContact CG-CD1 4.48Å; K200-L204 VanDerWaalsContact O-CG 3.3Å; K200-L204 WeakPolarHBondContact O-CG 3.5Å; K200-L204 PolarHBondContact O-N 2.93Å; A201-L204 PolarHBondContact O-N 3.33Å; K202-L204 VanDerWaalsContact C-N 3.31Å; K202-L204 PolarHBondContact O-N 2.87Å; L204-T207 PolarHBondContact O-N 3.47Å; L204-L208 WeakPolarHBondContact O-CB 3.32Å; L204-L208 PolarHBondContact O-N 3.4Å |
| 205 | W | 97.7 | Very high | 97 | Very high | 156 Ų | 156 | 100.5 Ų | 100.5 | 59% | 0.591 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.6 | -46.5 | 176 | -177.2 | 88.2 | 0 | 0 | 0 | 111.7 | A201 K202 E203 T207 L208 Y209 | A201-W205 WeakPolarHBondContact O-CB 3.27Å; A201-W205 PolarHBondContact O-N 3.36Å; K202-W205 WeakPolarHBondContact O-CB 3.32Å; K202-W205 PolarHBondContact O-N 2.74Å; K202-W205 VanDerWaalsContact O-N 3.1Å; E203-W205 VanDerWaalsContact C-N 3.35Å; W205-T207 VanDerWaalsContact C-N 3.3Å; W205-T207 PolarHBondContact O-N 3.39Å; W205-L208 WeakPolarHBondContact O-CB 3.4Å; W205-L208 PolarHBondContact O-N 2.63Å; W205-L208 VanDerWaalsContact O-N 3.17Å; W205-Y209 WeakPolarHBondContact O-CB 3.48Å; W205-Y209 PolarHBondContact O-N 3.2Å |
| 206 | D | 97.8 | Very high | 97.1 | Very high | 91 Ų | 91 | 101.5 Ų | 101.5 | 49% | 0.487 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 176.1 | -70.8 | -33.1 | 0 | 0 | 0 | 111.3 | K202 L208 Y209 Q210 | K202-D206 PolarHBondContact O-N 3.4Å; D206-L208 PolarHBondContact O-N 3.39Å; D206-Y209 PolarHBondContact O-N 3.48Å; D206-Q210 PolarHBondContact O-N 3.14Å |
| 207 | T | 96.4 | Very high | 97.2 | Very high | 82 Ų | 82 | 100.9 Ų | 100.9 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 176.6 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | E203 L204 W205 Q210 L211 | E203-T207 WeakPolarHBondContact O-CB 3.48Å; E203-T207 PolarHBondContact O-N 2.91Å; E203-T207 PolarHBondContact O-OG1 2.8Å; L204-T207 PolarHBondContact O-N 3.47Å; W205-T207 VanDerWaalsContact C-N 3.3Å; W205-T207 PolarHBondContact O-N 3.39Å; T207-Q210 PolarHBondContact O-N 3.02Å; T207-L211 HydrophobicContact CG2-CD1 4.37Å; T207-L211 WeakPolarHBondContact O-CG 3.25Å; T207-L211 PolarHBondContact O-N 3.01Å; T207-L211 VanDerWaalsContact O-N 3.09Å |
| 208 | L | 96.7 | Very high | 97.3 | Very high | 94 Ų | 94 | 104.3 Ų | 104.3 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 176.9 | -179 | 63.7 | 0 | 0 | 0 | 111 | L204 W205 D206 Q210 L211 E212 | L204-L208 WeakPolarHBondContact O-CB 3.32Å; L204-L208 PolarHBondContact O-N 3.4Å; W205-L208 WeakPolarHBondContact O-CB 3.4Å; W205-L208 PolarHBondContact O-N 2.63Å; W205-L208 VanDerWaalsContact O-N 3.17Å; D206-L208 PolarHBondContact O-N 3.39Å; L208-Q210 VanDerWaalsContact C-N 3.31Å; L208-Q210 PolarHBondContact O-N 3.28Å; L208-L211 PolarHBondContact O-N 3.42Å; L208-L211 VanDerWaalsContact O-N 3.13Å; L208-E212 WeakPolarHBondContact O-CG 3.3Å; L208-E212 PolarHBondContact O-N 3.16Å |
| 209 | Y | 98 | Very high | 97.4 | Very high | 132 Ų | 132 | 98.7 Ų | 98.7 | 52% | 0.518 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.1 | -42.1 | 179.1 | -178.7 | -100.5 | 0 | 0 | 0 | 112 | W205 D206 E212 T213 | W205-Y209 WeakPolarHBondContact O-CB 3.48Å; W205-Y209 PolarHBondContact O-N 3.2Å; D206-Y209 PolarHBondContact O-N 3.48Å; Y209-E212 PolarHBondContact O-N 3.09Å; Y209-T213 WeakPolarHBondContact O-CB 3.27Å; Y209-T213 PolarHBondContact O-N 3.38Å; Y209-T213 PolarHBondContact O-OG1 3.36Å |
| 210 | Q | 97.5 | Very high | 97.4 | Very high | 103 Ų | 103 | 98.4 Ų | 98.4 | 48% | 0.481 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62 | -45.6 | 174.3 | -171.3 | 61.5 | 41.5 | 0 | 0 | 111.9 | D206 T207 L208 E212 T213 D214 | D206-Q210 PolarHBondContact O-N 3.14Å; T207-Q210 PolarHBondContact O-N 3.02Å; L208-Q210 VanDerWaalsContact C-N 3.31Å; L208-Q210 PolarHBondContact O-N 3.28Å; Q210-E212 VanDerWaalsContact C-N 3.31Å; Q210-E212 PolarHBondContact O-N 3.03Å; Q210-T213 WeakPolarHBondContact O-CB 3.13Å; Q210-T213 PolarHBondContact O-N 3.29Å; Q210-D214 PolarHBondContact NE2-OD1 3.44Å; Q210-D214 VanDerWaalsContact O-CG 3.32Å; Q210-D214 PolarHBondContact O-N 3.47Å |
| 211 | L | 97.1 | Very high | 97.5 | Very high | 100 Ų | 100 | 101 Ų | 101 | 52% | 0.524 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.1 | -35.6 | 178.1 | -70.9 | 172.5 | 0 | 0 | 0 | 112.8 | T207 L208 K215 | T207-L211 HydrophobicContact CG2-CD1 4.37Å; T207-L211 WeakPolarHBondContact O-CG 3.25Å; T207-L211 PolarHBondContact O-N 3.01Å; T207-L211 VanDerWaalsContact O-N 3.09Å; L208-L211 PolarHBondContact O-N 3.42Å; L208-L211 VanDerWaalsContact O-N 3.13Å; L211-K215 VanDerWaalsContact O-CB 3.32Å; L211-K215 WeakPolarHBondContact O-CB 3.34Å; L211-K215 PolarHBondContact O-N 3.19Å |
| 212 | E | 97.8 | Very high | 97.6 | Very high | 115 Ų | 115 | 102.5 Ų | 102.5 | 54% | 0.537 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 174.3 | -73.2 | -171.6 | 162.1 | 0 | 0 | 112 | L208 Y209 Q210 K215 F216 | L208-E212 WeakPolarHBondContact O-CG 3.3Å; L208-E212 PolarHBondContact O-N 3.16Å; Y209-E212 PolarHBondContact O-N 3.09Å; Q210-E212 VanDerWaalsContact C-N 3.31Å; Q210-E212 PolarHBondContact O-N 3.03Å; E212-K215 WeakPolarHBondContact O-CB 3.35Å; E212-K215 PolarHBondContact O-N 2.67Å; E212-F216 PolarHBondContact O-N 2.99Å |
| 213 | T | 98.1 | Very high | 97.6 | Very high | 40 Ų | 40 | 102.6 Ų | 102.6 | 25% | 0.245 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -60.4 | -52 | 175.2 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | Y209 Q210 K215 F216 E217 | Y209-T213 WeakPolarHBondContact O-CB 3.27Å; Y209-T213 PolarHBondContact O-N 3.38Å; Y209-T213 PolarHBondContact O-OG1 3.36Å; Q210-T213 WeakPolarHBondContact O-CB 3.13Å; Q210-T213 PolarHBondContact O-N 3.29Å; T213-K215 VanDerWaalsContact C-N 3.29Å; T213-K215 PolarHBondContact O-N 2.94Å; T213-F216 WeakPolarHBondContact O-CB 3.02Å; T213-F216 PolarHBondContact O-N 2.96Å; T213-E217 PolarHBondContact O-N 2.93Å |
| 214 | D | 97.9 | Very high | 97.7 | Very high | 51 Ų | 51 | 105.3 Ų | 105.3 | 27% | 0.273 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.5 | -42.5 | 177.6 | -69.5 | -1 | 0 | 0 | 0 | 111.5 | Q210 F216 E217 F218 | Q210-D214 PolarHBondContact NE2-OD1 3.44Å; Q210-D214 VanDerWaalsContact O-CG 3.32Å; Q210-D214 PolarHBondContact O-N 3.47Å; D214-F216 VanDerWaalsContact C-N 3.32Å; D214-F216 PolarHBondContact O-N 3.35Å; D214-E217 PolarHBondContact O-N 2.9Å; D214-F218 HydrophobicContact CB-CD2 4.43Å; D214-F218 HydrophobicContact CB-CE2 4.11Å; D214-F218 WeakPolarHBondContact O-CB 3.32Å; D214-F218 WeakPolarHBondContact O-CD2 3.4Å; D214-F218 VanDerWaalsContact O-CG 3.32Å; D214-F218 WeakPolarHBondContact O-CG 3.46Å; D214-F218 PolarHBondContact O-N 3.37Å |
| 215 | K | 98.1 | Very high | 97.8 | Very high | 162 Ų | 162 | 105.6 Ų | 105.6 | 70% | 0.704 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61 | -41.5 | 177 | 177.9 | -171.5 | 170.5 | -165.8 | 0 | 111.4 | L211 E212 T213 G219 | L211-K215 VanDerWaalsContact O-CB 3.32Å; L211-K215 WeakPolarHBondContact O-CB 3.34Å; L211-K215 PolarHBondContact O-N 3.19Å; E212-K215 WeakPolarHBondContact O-CB 3.35Å; E212-K215 PolarHBondContact O-N 2.67Å; T213-K215 VanDerWaalsContact C-N 3.29Å; T213-K215 PolarHBondContact O-N 2.94Å; K215-G219 PolarHBondContact O-N 3.26Å |
| 216 | F | 98.2 | Very high | 97.9 | Very high | 136 Ų | 136 | 104.7 Ų | 104.7 | 60% | 0.596 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.9 | -49.9 | 176.4 | 177.5 | -95.2 | 0 | 0 | 0 | 111.1 | E212 T213 D214 F218 G219 E220 | E212-F216 PolarHBondContact O-N 2.99Å; T213-F216 WeakPolarHBondContact O-CB 3.02Å; T213-F216 PolarHBondContact O-N 2.96Å; D214-F216 VanDerWaalsContact C-N 3.32Å; D214-F216 PolarHBondContact O-N 3.35Å; F216-F218 PolarHBondContact O-N 3.39Å; F216-G219 WeakPolarHBondContact O-CA 3.4Å; F216-G219 PolarHBondContact O-N 2.95Å; F216-E220 HydrophobicContact CD1-CG 4.28Å; F216-E220 HydrophobicContact CE1-CG 3.74Å; F216-E220 HydrophobicContact CE2-CG 4.3Å; F216-E220 HydrophobicContact CZ-CG 3.75Å; F216-E220 PolarHBondContact O-N 3.05Å |
| 217 | E | 98.3 | Very high | 97.9 | Very high | 117 Ų | 117 | 106.6 Ų | 106.6 | 55% | 0.547 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 178.4 | -69.1 | -173.6 | 172.1 | 0 | 0 | 112.4 | T213 D214 G219 E220 K221 | T213-E217 PolarHBondContact O-N 2.93Å; D214-E217 PolarHBondContact O-N 2.9Å; E217-G219 VanDerWaalsContact C-N 3.26Å; E217-G219 PolarHBondContact O-N 3.19Å; E217-E220 PolarHBondContact O-N 3.04Å; E217-K221 WeakPolarHBondContact O-CB 3.34Å; E217-K221 PolarHBondContact O-N 3.02Å |
| 218 | F | 98.4 | Very high | 97.9 | Very high | 136 Ų | 136 | 105.7 Ų | 105.7 | 60% | 0.596 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.5 | -34.8 | 174.1 | -69.1 | -44.2 | 0 | 0 | 0 | 112.2 | D214 F216 L222 | D214-F218 HydrophobicContact CB-CD2 4.43Å; D214-F218 HydrophobicContact CB-CE2 4.11Å; D214-F218 WeakPolarHBondContact O-CB 3.32Å; D214-F218 WeakPolarHBondContact O-CD2 3.4Å; D214-F218 VanDerWaalsContact O-CG 3.32Å; D214-F218 WeakPolarHBondContact O-CG 3.46Å; D214-F218 PolarHBondContact O-N 3.37Å; F216-F218 PolarHBondContact O-N 3.39Å; F218-L222 VanDerWaalsContact O-CB 3.28Å; F218-L222 WeakPolarHBondContact O-CB 3.28Å; F218-L222 PolarHBondContact O-N 2.96Å |
| 219 | G | 97.9 | Very high | 98 | Very high | 30 Ų | 30 | 105.4 Ų | 105.4 | 31% | 0.309 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.7 | -49.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K215 F216 E217 L222 K223 | K215-G219 PolarHBondContact O-N 3.26Å; F216-G219 WeakPolarHBondContact O-CA 3.4Å; F216-G219 PolarHBondContact O-N 2.95Å; E217-G219 VanDerWaalsContact C-N 3.26Å; E217-G219 PolarHBondContact O-N 3.19Å; G219-L222 PolarHBondContact O-N 3.43Å; G219-K223 WeakPolarHBondContact O-CG 3.38Å; G219-K223 PolarHBondContact O-N 2.88Å |
| 220 | E | 98.2 | Very high | 98 | Very high | 80 Ų | 80 | 104.7 Ų | 104.7 | 37% | 0.374 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 177.7 | -68.8 | -55.2 | 104 | 0 | 0 | 111.7 | F216 E217 L222 K223 R224 | F216-E220 HydrophobicContact CD1-CG 4.28Å; F216-E220 HydrophobicContact CE1-CG 3.74Å; F216-E220 HydrophobicContact CE2-CG 4.3Å; F216-E220 HydrophobicContact CZ-CG 3.75Å; F216-E220 PolarHBondContact O-N 3.05Å; E217-E220 PolarHBondContact O-N 3.04Å; E220-L222 VanDerWaalsContact C-N 3.32Å; E220-L222 PolarHBondContact O-N 3.31Å; E220-K223 WeakPolarHBondContact O-CB 3.32Å; E220-K223 PolarHBondContact O-N 3.4Å; E220-K223 WeakPolarHBondContact OE1-CD 3.44Å; E220-K223 WeakPolarHBondContact OE1-CE 3.45Å; E220-K223 IonicContact OE1-NZ 3.9Å; E220-K223 PolarHBondContact OE1-NZ 3.3Å; E220-R224 PolarHBondContact O-N 3.04Å |
| 221 | K | 98.3 | Very high | 98 | Very high | 123 Ų | 123 | 101.4 Ų | 101.4 | 54% | 0.535 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 174.6 | -173.1 | 174.2 | -175.6 | 172.3 | 0 | 111.7 | E217 R224 Q225 | E217-K221 WeakPolarHBondContact O-CB 3.34Å; E217-K221 PolarHBondContact O-N 3.02Å; K221-R224 PolarHBondContact O-N 2.91Å; K221-Q225 WeakPolarHBondContact O-CB 3.47Å; K221-Q225 VanDerWaalsContact O-CG 3.31Å; K221-Q225 WeakPolarHBondContact O-CG 3.43Å; K221-Q225 PolarHBondContact O-N 3.48Å |
| 222 | L | 97.9 | Very high | 98 | Very high | 89 Ų | 89 | 100.5 Ų | 100.5 | 47% | 0.466 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 177.6 | -178 | 65.8 | 0 | 0 | 0 | 111.8 | F218 G219 E220 R224 Q225 K226 | F218-L222 VanDerWaalsContact O-CB 3.28Å; F218-L222 WeakPolarHBondContact O-CB 3.28Å; F218-L222 PolarHBondContact O-N 2.96Å; G219-L222 PolarHBondContact O-N 3.43Å; E220-L222 VanDerWaalsContact C-N 3.32Å; E220-L222 PolarHBondContact O-N 3.31Å; L222-R224 VanDerWaalsContact C-N 3.35Å; L222-Q225 PolarHBondContact O-N 2.92Å; L222-K226 WeakPolarHBondContact O-CG 3.47Å; L222-K226 PolarHBondContact O-N 3.39Å |
| 223 | K | 97.9 | Very high | 97.9 | Very high | 131 Ų | 131 | 103.1 Ų | 103.1 | 57% | 0.57 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.9 | -45.9 | 174.3 | -70.7 | 174 | -170.9 | 168.3 | 0 | 110.9 | G219 E220 K226 Y227 | G219-K223 WeakPolarHBondContact O-CG 3.38Å; G219-K223 PolarHBondContact O-N 2.88Å; E220-K223 WeakPolarHBondContact O-CB 3.32Å; E220-K223 PolarHBondContact O-N 3.4Å; E220-K223 WeakPolarHBondContact OE1-CD 3.44Å; E220-K223 WeakPolarHBondContact OE1-CE 3.45Å; E220-K223 IonicContact OE1-NZ 3.9Å; E220-K223 PolarHBondContact OE1-NZ 3.3Å; K223-K226 WeakPolarHBondContact O-CB 3.22Å; K223-K226 PolarHBondContact O-N 3.32Å; K223-Y227 PolarHBondContact O-N 2.96Å |
| 224 | R | 98.1 | Very high | 97.8 | Very high | 157 Ų | 157 | 103.4 Ų | 103.4 | 59% | 0.592 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.6 | -47.5 | 177.2 | -178.7 | 58 | -177 | -143.7 | -2.7 | 112.2 | E220 K221 L222 K226 Y227 D228 | E220-R224 PolarHBondContact O-N 3.04Å; K221-R224 PolarHBondContact O-N 2.91Å; L222-R224 VanDerWaalsContact C-N 3.35Å; R224-K226 VanDerWaalsContact C-N 3.3Å; R224-K226 PolarHBondContact O-N 2.9Å; R224-Y227 WeakPolarHBondContact O-CB 3.31Å; R224-Y227 PolarHBondContact O-N 3.3Å; R224-Y227 VanDerWaalsContact O-N 3.11Å; R224-D228 IonicContact CZ-OD1 3.9Å; R224-D228 IonicContact NE-OD1 3.29Å; R224-D228 PolarHBondContact NE-OD1 3.38Å; R224-D228 IonicContact NE-OD2 3.56Å; R224-D228 IonicContact NH2-OD1 3.94Å; R224-D228 PolarHBondContact O-N 3.35Å |
| 225 | Q | 98.2 | Very high | 97.6 | Very high | 92 Ų | 92 | 108.2 Ų | 108.2 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60 | -38.7 | 177.6 | -74.3 | 177.5 | -25.2 | 0 | 0 | 112.4 | K221 L222 Y227 D228 I229 | K221-Q225 WeakPolarHBondContact O-CB 3.47Å; K221-Q225 VanDerWaalsContact O-CG 3.31Å; K221-Q225 WeakPolarHBondContact O-CG 3.43Å; K221-Q225 PolarHBondContact O-N 3.48Å; L222-Q225 PolarHBondContact O-N 2.92Å; Q225-Y227 VanDerWaalsContact C-N 3.34Å; Q225-Y227 PolarHBondContact O-N 3.11Å; Q225-D228 PolarHBondContact O-N 3.18Å; Q225-I229 WeakPolarHBondContact O-CB 3.44Å; Q225-I229 VanDerWaalsContact O-CG1 3.22Å; Q225-I229 WeakPolarHBondContact O-CG1 3.27Å; Q225-I229 PolarHBondContact O-N 3.34Å |
| 226 | K | 98.2 | Very high | 97.5 | Very high | 138 Ų | 138 | 104.7 Ų | 104.7 | 60% | 0.6 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.1 | -43.8 | 174.5 | -77.4 | 175.8 | 178.4 | -179.7 | 0 | 111.9 | L222 K223 R224 M230 | L222-K226 WeakPolarHBondContact O-CG 3.47Å; L222-K226 PolarHBondContact O-N 3.39Å; K223-K226 WeakPolarHBondContact O-CB 3.22Å; K223-K226 PolarHBondContact O-N 3.32Å; R224-K226 VanDerWaalsContact C-N 3.3Å; R224-K226 PolarHBondContact O-N 2.9Å; K226-M230 PolarHBondContact O-N 2.95Å |
| 227 | Y | 98.1 | Very high | 97.3 | Very high | 130 Ų | 130 | 104 Ų | 104 | 51% | 0.51 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 176 | 175.7 | -94.6 | 0 | 0 | 0 | 112 | K223 R224 Q225 I229 M230 T231 | K223-Y227 PolarHBondContact O-N 2.96Å; R224-Y227 WeakPolarHBondContact O-CB 3.31Å; R224-Y227 PolarHBondContact O-N 3.3Å; R224-Y227 VanDerWaalsContact O-N 3.11Å; Q225-Y227 VanDerWaalsContact C-N 3.34Å; Q225-Y227 PolarHBondContact O-N 3.11Å; Y227-I229 PolarHBondContact O-N 2.92Å; Y227-M230 HydrophobicContact CD2-CE 4.09Å; Y227-M230 HydrophobicContact CE2-CE 4.31Å; Y227-M230 PolarHBondContact O-N 3.27Å; Y227-T231 PolarHBondContact O-N 3.41Å; Y227-T231 PolarHBondContact O-OG1 2.94Å |
| 228 | D | 97.8 | Very high | 96.9 | Very high | 64 Ų | 64 | 103.3 Ų | 103.3 | 34% | 0.342 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 179.4 | -66 | -25.3 | 0 | 0 | 0 | 111 | R224 Q225 M230 T231 V232 | R224-D228 IonicContact CZ-OD1 3.9Å; R224-D228 IonicContact NE-OD1 3.29Å; R224-D228 PolarHBondContact NE-OD1 3.38Å; R224-D228 IonicContact NE-OD2 3.56Å; R224-D228 IonicContact NH2-OD1 3.94Å; R224-D228 PolarHBondContact O-N 3.35Å; Q225-D228 PolarHBondContact O-N 3.18Å; D228-M230 PolarHBondContact O-N 2.95Å; D228-T231 PolarHBondContact O-N 2.86Å; D228-V232 WeakPolarHBondContact O-CB 3.41Å; D228-V232 VanDerWaalsContact O-CG2 3.31Å; D228-V232 WeakPolarHBondContact O-CG2 3.5Å; D228-V232 PolarHBondContact O-N 3.06Å |
| 229 | I | 98 | Very high | 96.5 | Very high | 87 Ų | 87 | 102.7 Ų | 102.7 | 45% | 0.446 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 175.1 | -71 | 166.1 | 0 | 0 | 0 | 111.1 | Q225 Y227 T231 V232 R233 | Q225-I229 WeakPolarHBondContact O-CB 3.44Å; Q225-I229 VanDerWaalsContact O-CG1 3.22Å; Q225-I229 WeakPolarHBondContact O-CG1 3.27Å; Q225-I229 PolarHBondContact O-N 3.34Å; Y227-I229 PolarHBondContact O-N 2.92Å; I229-T231 VanDerWaalsContact C-N 3.32Å; I229-T231 PolarHBondContact O-N 3.46Å; I229-V232 PolarHBondContact O-N 3.47Å; I229-R233 HydrophobicContact CG2-CG 4.43Å; I229-R233 WeakPolarHBondContact O-CB 3.47Å; I229-R233 VanDerWaalsContact O-CG 3.27Å; I229-R233 WeakPolarHBondContact O-CG 3.31Å; I229-R233 PolarHBondContact O-N 3.29Å |
| 230 | M | 97.4 | Very high | 96 | Very high | 118 Ų | 118 | 103.5 Ų | 103.5 | 58% | 0.581 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.4 | -44.8 | 177.9 | -175.5 | -179.8 | 73.1 | 0 | 0 | 111.2 | K226 Y227 D228 R233 A234 | K226-M230 PolarHBondContact O-N 2.95Å; Y227-M230 HydrophobicContact CD2-CE 4.09Å; Y227-M230 HydrophobicContact CE2-CE 4.31Å; Y227-M230 PolarHBondContact O-N 3.27Å; D228-M230 PolarHBondContact O-N 2.95Å; M230-R233 PolarHBondContact O-N 3.46Å; M230-A234 PolarHBondContact O-N 3.24Å |
| 231 | T | 97.4 | Very high | 95.1 | Very high | 34 Ų | 34 | 106.7 Ų | 106.7 | 21% | 0.209 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 178.9 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | Y227 D228 I229 A234 R235 | Y227-T231 PolarHBondContact O-N 3.41Å; Y227-T231 PolarHBondContact O-OG1 2.94Å; D228-T231 PolarHBondContact O-N 2.86Å; I229-T231 VanDerWaalsContact C-N 3.32Å; I229-T231 PolarHBondContact O-N 3.46Å; T231-A234 PolarHBondContact O-N 3.49Å; T231-R235 WeakPolarHBondContact O-CG 3.33Å; T231-R235 PolarHBondContact O-N 3.24Å |
| 232 | V | 97.2 | Very high | 93.8 | Very high | 81 Ų | 81 | 108 Ų | 108 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 177.8 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | D228 I229 A234 R235 V236 | D228-V232 WeakPolarHBondContact O-CB 3.41Å; D228-V232 VanDerWaalsContact O-CG2 3.31Å; D228-V232 WeakPolarHBondContact O-CG2 3.5Å; D228-V232 PolarHBondContact O-N 3.06Å; I229-V232 PolarHBondContact O-N 3.47Å; V232-A234 PolarHBondContact O-N 3.43Å; V232-R235 PolarHBondContact O-N 2.88Å; V232-V236 HydrophobicContact CG1-CG2 4.28Å; V232-V236 WeakPolarHBondContact O-CG2 3.42Å; V232-V236 PolarHBondContact O-N 3.4Å |
| 233 | R | 96.2 | Very high | 92.2 | Very high | 170 Ų | 170 | 107.8 Ų | 107.8 | 64% | 0.642 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.1 | -47.5 | 175 | -75.9 | 174.5 | 178.1 | -178.9 | 0.1 | 111.8 | I229 M230 R235 V236 E237 | I229-R233 HydrophobicContact CG2-CG 4.43Å; I229-R233 WeakPolarHBondContact O-CB 3.47Å; I229-R233 VanDerWaalsContact O-CG 3.27Å; I229-R233 WeakPolarHBondContact O-CG 3.31Å; I229-R233 PolarHBondContact O-N 3.29Å; M230-R233 PolarHBondContact O-N 3.46Å; R233-R235 VanDerWaalsContact C-N 3.32Å; R233-R235 PolarHBondContact O-N 2.95Å; R233-V236 PolarHBondContact O-N 3.2Å; R233-E237 WeakPolarHBondContact O-CG 3.39Å; R233-E237 PolarHBondContact O-N 3Å |
| 234 | A | 95.3 | Very high | 90.3 | Very high | 46 Ų | 46 | 109.9 Ų | 109.9 | 38% | 0.38 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M230 T231 V232 E237 M238 | M230-A234 PolarHBondContact O-N 3.24Å; T231-A234 PolarHBondContact O-N 3.49Å; V232-A234 PolarHBondContact O-N 3.43Å; A234-E237 PolarHBondContact O-N 3.46Å; A234-M238 WeakPolarHBondContact O-CG 3.48Å; A234-M238 PolarHBondContact O-N 3.44Å |
| 235 | R | 95.2 | Very high | 88.2 | Confident | 152 Ų | 152 | 110 Ų | 110 | 57% | 0.574 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.9 | -44.2 | 175.2 | -71.7 | 175.8 | -178.8 | 177.9 | 1.1 | 112.4 | T231 V232 R233 E237 M238 L239 | T231-R235 WeakPolarHBondContact O-CG 3.33Å; T231-R235 PolarHBondContact O-N 3.24Å; V232-R235 PolarHBondContact O-N 2.88Å; R233-R235 VanDerWaalsContact C-N 3.32Å; R233-R235 PolarHBondContact O-N 2.95Å; R235-E237 VanDerWaalsContact C-N 3.34Å; R235-E237 PolarHBondContact O-N 3.33Å; R235-M238 HydrophobicContact CG-CE 4.34Å; R235-M238 PolarHBondContact O-N 3.16Å; R235-L239 WeakPolarHBondContact O-CG 3.35Å; R235-L239 PolarHBondContact O-N 3.38Å |
| 236 | V | 94.8 | Very high | 86 | Confident | 88 Ų | 88 | 110 Ų | 110 | 53% | 0.533 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 176.8 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | V232 R233 M238 L239 A240 | V232-V236 HydrophobicContact CG1-CG2 4.28Å; V232-V236 WeakPolarHBondContact O-CG2 3.42Å; V232-V236 PolarHBondContact O-N 3.4Å; R233-V236 PolarHBondContact O-N 3.2Å; V236-M238 PolarHBondContact O-N 3.17Å; V236-L239 PolarHBondContact O-N 3.47Å; V236-A240 VanDerWaalsContact O-CB 3.29Å; V236-A240 WeakPolarHBondContact O-CB 3.44Å; V236-A240 PolarHBondContact O-N 3.2Å |
| 237 | E | 93.6 | Very high | 83.9 | Confident | 122 Ų | 122 | 107 Ų | 107 | 57% | 0.57 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.7 | -41.1 | 176.1 | -75 | 178.3 | -166.7 | 0 | 0 | 112.7 | R233 A234 R235 A240 K241 | R233-E237 WeakPolarHBondContact O-CG 3.39Å; R233-E237 PolarHBondContact O-N 3Å; A234-E237 PolarHBondContact O-N 3.46Å; R235-E237 VanDerWaalsContact C-N 3.34Å; R235-E237 PolarHBondContact O-N 3.33Å; E237-A240 PolarHBondContact O-N 3.21Å; E237-K241 WeakPolarHBondContact O-CG 3.38Å; E237-K241 PolarHBondContact O-N 3.46Å |
| 238 | M | 90.6 | Very high | 81.8 | Confident | 101 Ų | 101 | 104.6 Ų | 104.6 | 50% | 0.498 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.8 | -50.3 | 174.8 | -74.7 | -169.6 | -75.4 | 0 | 0 | 111.4 | A234 R235 V236 A240 K241 F242 | A234-M238 WeakPolarHBondContact O-CG 3.48Å; A234-M238 PolarHBondContact O-N 3.44Å; R235-M238 HydrophobicContact CG-CE 4.34Å; R235-M238 PolarHBondContact O-N 3.16Å; V236-M238 PolarHBondContact O-N 3.17Å; M238-A240 VanDerWaalsContact C-N 3.31Å; M238-A240 PolarHBondContact O-N 3.39Å; M238-K241 WeakPolarHBondContact O-CB 3.05Å; M238-K241 PolarHBondContact O-N 3.27Å; M238-K241 VanDerWaalsContact O-N 3.16Å; M238-F242 WeakPolarHBondContact O-CD2 3.29Å; M238-F242 PolarHBondContact O-N 3.42Å |
| 239 | L | 90.3 | Very high | 79.6 | Confident | 123 Ų | 123 | 107.3 Ų | 107.3 | 64% | 0.644 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.1 | -37.6 | 178.8 | -68.2 | 172.4 | 0 | 0 | 0 | 112.3 | R235 V236 K241 F242 S243 | R235-L239 WeakPolarHBondContact O-CG 3.35Å; R235-L239 PolarHBondContact O-N 3.38Å; V236-L239 PolarHBondContact O-N 3.47Å; L239-K241 VanDerWaalsContact C-N 3.3Å; L239-K241 PolarHBondContact O-N 3.03Å; L239-F242 PolarHBondContact O-N 2.87Å; L239-S243 PolarHBondContact O-N 3.25Å |
| 240 | A | 86.8 | Confident | 77.4 | Confident | 47 Ų | 47 | 107.6 Ų | 107.6 | 39% | 0.388 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64 | -32.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V236 E237 M238 F242 S243 K244 | V236-A240 VanDerWaalsContact O-CB 3.29Å; V236-A240 WeakPolarHBondContact O-CB 3.44Å; V236-A240 PolarHBondContact O-N 3.2Å; E237-A240 PolarHBondContact O-N 3.21Å; M238-A240 VanDerWaalsContact C-N 3.31Å; M238-A240 PolarHBondContact O-N 3.39Å; A240-F242 VanDerWaalsContact C-N 3.35Å; A240-S243 PolarHBondContact O-N 3.35Å; A240-K244 PolarHBondContact O-N 2.97Å |
| 241 | K | 80.3 | Confident | 75.3 | Confident | 148 Ų | 148 | 112.5 Ų | 112.5 | 64% | 0.643 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.2 | -35.9 | 174.6 | -70.9 | 168.7 | -175.3 | 176.3 | 0 | 112 | E237 M238 L239 | E237-K241 WeakPolarHBondContact O-CG 3.38Å; E237-K241 PolarHBondContact O-N 3.46Å; M238-K241 WeakPolarHBondContact O-CB 3.05Å; M238-K241 PolarHBondContact O-N 3.27Å; M238-K241 VanDerWaalsContact O-N 3.16Å; L239-K241 VanDerWaalsContact C-N 3.3Å; L239-K241 PolarHBondContact O-N 3.03Å |
| 242 | F | 71.3 | Confident | 72.9 | Confident | 150 Ų | 150 | 114 Ų | 114 | 66% | 0.658 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -76.4 | -34.3 | 175.8 | -64 | -69.8 | 0 | 0 | 0 | 112.5 | M238 L239 A240 K244 K245 A246 | M238-F242 WeakPolarHBondContact O-CD2 3.29Å; M238-F242 PolarHBondContact O-N 3.42Å; L239-F242 PolarHBondContact O-N 2.87Å; A240-F242 VanDerWaalsContact C-N 3.35Å; F242-K244 PolarHBondContact O-N 3.31Å; F242-K245 PolarHBondContact O-N 2.98Å; F242-A246 PolarHBondContact O-N 3.33Å |
| 243 | S | 62.6 | Low | 70.8 | Confident | 84 Ų | 84 | 120.2 Ų | 120.2 | 59% | 0.587 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -62.5 | -40.9 | 175.5 | 172 | 0 | 0 | 0 | 0 | 113 | L239 A240 K245 A246 | L239-S243 PolarHBondContact O-N 3.25Å; A240-S243 PolarHBondContact O-N 3.35Å; S243-K245 VanDerWaalsContact C-N 3.27Å; S243-K245 PolarHBondContact O-N 3.32Å; S243-A246 PolarHBondContact O-N 3.5Å |
| 244 | K | 58.3 | Low | 68.6 | Low | 176 Ų | 176 | 118.7 Ų | 118.7 | 77% | 0.765 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -67.4 | -24.2 | 177 | -73.9 | -175.4 | 179.8 | -179.6 | 0 | 113.8 | A240 F242 | A240-K244 PolarHBondContact O-N 2.97Å; F242-K244 PolarHBondContact O-N 3.31Å |
| 245 | K | 54 | Low | 66.6 | Low | 160 Ų | 160 | 120.3 Ų | 120.3 | 70% | 0.696 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -83.7 | -21.4 | 178.5 | -144.7 | 170.9 | -175.1 | 178.1 | 0 | 112.8 | F242 S243 G247 T249 | F242-K245 PolarHBondContact O-N 2.98Å; S243-K245 VanDerWaalsContact C-N 3.27Å; S243-K245 PolarHBondContact O-N 3.32Å; K245-G247 VanDerWaalsContact C-N 3.34Å; K245-T249 PolarHBondContact O-OG1 3.49Å |
| 246 | A | 53.1 | Low | 64.4 | Low | 90 Ų | 90 | 115.3 Ų | 115.3 | 74% | 0.744 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -75.6 | -18.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F242 S243 | F242-A246 PolarHBondContact O-N 3.33Å; S243-A246 PolarHBondContact O-N 3.5Å |
| 247 | G | 53.7 | Low | 62.4 | Low | 75 Ų | 75 | 122.1 Ų | 122.1 | 77% | 0.773 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -7.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | K245 | K245-G247 VanDerWaalsContact C-N 3.34Š|
| 248 | A | 53.7 | Low | 60.2 | Low | 80 Ų | 80 | 128.4 Ų | 128.4 | 66% | 0.661 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -108.6 | -0.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 249 | T | 51.9 | Low | 58.4 | Low | 121 Ų | 121 | 136.1 Ų | 136.1 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -140.6 | 72.9 | -177.2 | 7 | 0 | 0 | 0 | 0 | 112 | K245 | K245-T249 PolarHBondContact O-OG1 3.49Š|
| 250 | A | 52.7 | Low | 56.8 | Low | 94 Ų | 94 | 136.8 Ų | 136.8 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | trans | -169.5 | 56 | 153.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 251 | K | 52.3 | Low | 55.3 | Low | 221 Ų | 221 | 141.5 Ų | 141.5 | 96% | 0.961 | 77% | 0.774 | S | S | * | * | trans | -119.7 | 51.9 | 152.4 | -75.2 | -164.9 | 178.9 | -179.6 | 0 | 109.2 | ||||
| 252 | G | 47.6 | Very low | 53.9 | Low | 64 Ų | 64 | 141.1 Ų | 141.1 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | trans | -98.2 | 102.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | V254 | G252-V254 PolarHBondContact O-N 3.33Š| ||
| 253 | K | 53.3 | Low | 52.9 | Low | 213 Ų | 213 | 140.6 Ų | 140.6 | 93% | 0.926 | 79% | 0.789 | S | S | * | * | trans | -62.4 | 92.6 | 174 | -172.2 | 169.3 | -177.3 | 175.2 | 0 | 109.3 | G255 | K253-G255 PolarHBondContact O-N 2.99Š| ||
| 254 | V | 49.9 | Very low | 52.3 | Low | 138 Ų | 138 | 144.1 Ų | 144.1 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | -92 | 80.6 | 167.9 | -177.3 | 0 | 0 | 0 | 0 | 108 | G252 G256 | G252-V254 PolarHBondContact O-N 3.33Å; V254-G256 PolarHBondContact O-N 3.39Å | ||
| 255 | G | 53.3 | Low | 51.9 | Low | 80 Ų | 80 | 142 Ų | 142 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -80 | 95.8 | 158 | 0 | 0 | 0 | 0 | 0 | 107.8 | K253 | K253-G255 PolarHBondContact O-N 2.99Š| ||
| 256 | G | 48.8 | Very low | 51.7 | Low | 46 Ų | 46 | 140.7 Ų | 140.7 | 47% | 0.474 | 81% | 0.811 | S | S | . | * | trans | -138.3 | 94.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | V254 W258 | V254-G256 PolarHBondContact O-N 3.39Å; G256-W258 PolarHBondContact O-N 3.47Å | ||
| 257 | R | 52.5 | Low | 51.6 | Low | 232 Ų | 232 | 144.6 Ų | 144.6 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | trans | -47.4 | 122.3 | 176.3 | -179.3 | 176.1 | 177.8 | -165.2 | 1.9 | 112.2 | ||||
| 258 | W | 47.8 | Very low | 51.4 | Low | 253 Ų | 253 | 150.4 Ų | 150.4 | 96% | 0.958 | 82% | 0.82 | S | S | * | * | trans | -79.2 | 138.3 | 167.6 | -70.6 | 57.9 | 0 | 0 | 0 | 108.7 | G256 | G256-W258 PolarHBondContact O-N 3.47Š| ||
| 259 | K | 53.2 | Low | 51.2 | Low | 263 Ų | 263 | 156.8 Ų | 156.8 | 100% | 1.143 | 83% | 0.834 | S | S | * | * | trans | -122.6 | 0 | 177.3 | -143.5 | -171.1 | -170.4 | -171.8 | 0 | 107.9 |
Retrieved 259 of 259 residues in 100.6 ms
(Link to these results)