| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.8 | Very low | 44.4 | Very low | 233 Ų | 233 | 163.9 Ų | 163.9 | 100% | 1.148 | 83% | 0.827 | S | S | * | * | 0 | 93.1 | 0 | -76.6 | 171.2 | 173.6 | 0 | 0 | 106 | R3 | M1-R3 PolarHBondContact O-N 3.13Š| |||
| 2 | N | 41.8 | Very low | 44.6 | Very low | 157 Ų | 157 | 165.8 Ų | 165.8 | 84% | 0.84 | 83% | 0.825 | S | S | * | * | trans | -86.3 | 114 | -174.2 | -60.3 | -21.8 | 0 | 0 | 0 | 106.5 | T4 | N2-T4 PolarHBondContact O-N 3.46Š| ||
| 3 | R | 45 | Very low | 44.5 | Very low | 249 Ų | 249 | 170.9 Ų | 170.9 | 94% | 0.94 | 83% | 0.83 | S | S | * | * | trans | -59.3 | 105.1 | 172.2 | -90.9 | 179.8 | -177 | 154.2 | 0.3 | 106.6 | M1 E5 | M1-R3 PolarHBondContact O-N 3.13Å; R3-E5 PolarHBondContact O-N 3.21Å | ||
| 4 | T | 48.1 | Very low | 44.3 | Very low | 134 Ų | 134 | 164.8 Ų | 164.8 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | trans | -52.1 | 124.7 | 170.9 | 32.4 | 0 | 0 | 0 | 0 | 108.8 | N2 L6 | N2-T4 PolarHBondContact O-N 3.46Å; T4-L6 PolarHBondContact O-N 2.67Å | ||
| 5 | E | 46.2 | Very low | 43.7 | Very low | 185 Ų | 185 | 158.1 Ų | 158.1 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | -43.7 | 126.8 | 170.1 | -67.1 | 166.7 | 133.2 | 0 | 0 | 109.1 | R3 D7 | R3-E5 PolarHBondContact O-N 3.21Å; E5-D7 VanDerWaalsContact C-N 3.34Å; E5-D7 PolarHBondContact O-N 2.71Å | ||
| 6 | L | 43.1 | Very low | 43.1 | Very low | 167 Ų | 167 | 161.3 Ų | 161.3 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -66 | 98.6 | 179.3 | -148.1 | 153.7 | 0 | 0 | 0 | 106.4 | T4 A8 | T4-L6 PolarHBondContact O-N 2.67Å; L6-A8 PolarHBondContact O-N 3.05Å | ||
| 7 | D | 43.8 | Very low | 42.9 | Very low | 117 Ų | 117 | 158.9 Ų | 158.9 | 63% | 0.626 | 81% | 0.812 | S | S | * | * | trans | -54.6 | 117.5 | -174.9 | -173 | -43.7 | 0 | 0 | 0 | 109.6 | E5 N9 | E5-D7 VanDerWaalsContact C-N 3.34Å; E5-D7 PolarHBondContact O-N 2.71Å; D7-N9 PolarHBondContact O-N 3.14Å; D7-N9 WeakPolarHBondContact OD1-CB 3.32Å; D7-N9 PolarHBondContact OD1-N 2.92Å | ||
| 8 | A | 49.3 | Very low | 42.8 | Very low | 94 Ų | 94 | 163.3 Ų | 163.3 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 6.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L6 | L6-A8 PolarHBondContact O-N 3.05Š|
| 9 | N | 46 | Very low | 42.7 | Very low | 115 Ų | 115 | 162.7 Ų | 162.7 | 62% | 0.615 | 82% | 0.816 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -0.7 | -172.8 | -154.6 | 11.4 | 0 | 0 | 0 | 114.5 | D7 | D7-N9 PolarHBondContact O-N 3.14Å; D7-N9 WeakPolarHBondContact OD1-CB 3.32Å; D7-N9 PolarHBondContact OD1-N 2.92Å |
| 10 | E | 46.7 | Very low | 42.5 | Very low | 165 Ų | 165 | 162.7 Ų | 162.7 | 77% | 0.771 | 81% | 0.813 | S | S | * | * | G | 310 helix | trans | -81.4 | -19.3 | 177.3 | -160 | 167.6 | -166.1 | 0 | 0 | 113.7 | K12 | E10-K12 PolarHBondContact O-N 2.95Š|
| 11 | F | 40.1 | Very low | 42.5 | Very low | 187 Ų | 187 | 162.4 Ų | 162.4 | 82% | 0.82 | 81% | 0.81 | S | S | * | * | G | 310 helix | trans | -68.2 | -4.5 | 178.9 | -90.3 | -84.2 | 0 | 0 | 0 | 114.7 | R13 | F11-R13 VanDerWaalsContact C-N 3.28Å; F11-R13 PolarHBondContact O-N 3.14Å |
| 12 | K | 46.9 | Very low | 42.7 | Very low | 186 Ų | 186 | 157.6 Ų | 157.6 | 81% | 0.809 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -81.3 | 1.2 | -179.6 | -151.5 | 169.2 | -176.2 | 175.5 | 0 | 114.4 | E10 | E10-K12 PolarHBondContact O-N 2.95Š|
| 13 | R | 44.1 | Very low | 42.7 | Very low | 233 Ų | 233 | 157.4 Ų | 157.4 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -103.5 | -10.1 | -174.7 | -150.2 | 173.4 | -167 | -176.2 | 3.3 | 116.1 | F11 G15 | F11-R13 VanDerWaalsContact C-N 3.28Å; F11-R13 PolarHBondContact O-N 3.14Å; R13-G15 VanDerWaalsContact C-N 3.3Å; R13-G15 PolarHBondContact O-N 3.08Å |
| 14 | A | 41.3 | Very low | 42.8 | Very low | 85 Ų | 85 | 149.5 Ų | 149.5 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | trans | -82.5 | 83.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | F16 | A14-F16 PolarHBondContact O-N 3.44Š| ||
| 15 | G | 34.8 | Very low | 42.6 | Very low | 64 Ų | 64 | 151.1 Ų | 151.1 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | trans | -53.2 | 111.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | R13 V17 | R13-G15 VanDerWaalsContact C-N 3.3Å; R13-G15 PolarHBondContact O-N 3.08Å; G15-V17 PolarHBondContact O-N 2.95Å | ||
| 16 | F | 34.6 | Very low | 42.5 | Very low | 209 Ų | 209 | 149.1 Ų | 149.1 | 92% | 0.917 | 76% | 0.755 | S | S | * | * | trans | -51.5 | 95.1 | 162.4 | -111.5 | -104.9 | 0 | 0 | 0 | 106.5 | A14 R18 | A14-F16 PolarHBondContact O-N 3.44Å; F16-R18 VanDerWaalsContact C-N 3.35Å; F16-R18 PolarHBondContact O-N 3.28Å | ||
| 17 | V | 40.2 | Very low | 42.1 | Very low | 122 Ų | 122 | 150.7 Ų | 150.7 | 74% | 0.739 | 75% | 0.749 | S | S | * | * | trans | -64.8 | 106 | 164.9 | 168.5 | 0 | 0 | 0 | 0 | 103.9 | G15 D19 | G15-V17 PolarHBondContact O-N 2.95Å; V17-D19 PolarHBondContact O-N 3.31Å | ||
| 18 | R | 40 | Very low | 41.9 | Very low | 237 Ų | 237 | 151.3 Ų | 151.3 | 89% | 0.894 | 76% | 0.759 | S | S | * | * | trans | -60.2 | 97.1 | 156.6 | -72.4 | -179.7 | -144.1 | -109.1 | -2.4 | 104.3 | F16 E20 | F16-R18 VanDerWaalsContact C-N 3.35Å; F16-R18 PolarHBondContact O-N 3.28Å; R18-E20 PolarHBondContact O-N 3.06Å | ||
| 19 | D | 41.1 | Very low | 41.4 | Very low | 152 Ų | 152 | 153.2 Ų | 153.2 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | trans | -77.8 | 110.4 | 161 | -157.1 | 26.1 | 0 | 0 | 0 | 105.1 | V17 | V17-D19 PolarHBondContact O-N 3.31Š| ||
| 20 | E | 39.1 | Very low | 41.1 | Very low | 162 Ų | 162 | 152.5 Ų | 152.5 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | trans | -44.2 | 137.1 | 177.3 | -158.4 | 104.1 | 77.6 | 0 | 0 | 108.8 | R18 D22 | R18-E20 PolarHBondContact O-N 3.06Å; E20-D22 VanDerWaalsContact C-N 3.26Å; E20-D22 PolarHBondContact O-N 3.09Å | ||
| 21 | E | 42 | Very low | 40.8 | Very low | 157 Ų | 157 | 149.8 Ų | 149.8 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -50.9 | 93.7 | 168.4 | -70.6 | 147.9 | 122.6 | 0 | 0 | 108.5 | H23 | E21-H23 PolarHBondContact O-N 3.32Å; E21-H23 PolarHBondContact O-ND1 2.92Å | ||
| 22 | D | 42.5 | Very low | 40.8 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | -61.5 | 98.9 | 165.5 | -170 | 17.1 | 0 | 0 | 0 | 104.9 | E20 V24 | E20-D22 VanDerWaalsContact C-N 3.26Å; E20-D22 PolarHBondContact O-N 3.09Å; D22-V24 PolarHBondContact O-N 2.97Å; D22-V24 WeakPolarHBondContact OD2-CG1 3.42Å | ||
| 23 | H | 42.1 | Very low | 40.7 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 70% | 0.704 | 75% | 0.746 | S | S | * | * | trans | -67.7 | 56.5 | 172 | -73.4 | 20.2 | 0 | 0 | 0 | 107.9 | E21 E25 | E21-H23 PolarHBondContact O-N 3.32Å; E21-H23 PolarHBondContact O-ND1 2.92Å; H23-E25 PolarHBondContact O-N 2.71Å | ||
| 24 | V | 46.3 | Very low | 40.7 | Very low | 84 Ų | 84 | 139.2 Ų | 139.2 | 51% | 0.509 | 74% | 0.741 | S | S | . | * | trans | -62.6 | 95.1 | 154 | -69.8 | 0 | 0 | 0 | 0 | 104.2 | D22 L26 | D22-V24 PolarHBondContact O-N 2.97Å; D22-V24 WeakPolarHBondContact OD2-CG1 3.42Å; V24-L26 HydrophobicContact CB-CD1 4.47Å; V24-L26 HydrophobicContact CB-CG 4.13Å; V24-L26 HydrophobicContact CG2-CD1 3.78Å; V24-L26 HydrophobicContact CG2-CG 3.97Å; V24-L26 PolarHBondContact O-N 3.32Å | ||
| 25 | E | 45.4 | Very low | 41.1 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | trans | -56.1 | 73.6 | 154.2 | -67.4 | -172.3 | 169.6 | 0 | 0 | 106.2 | H23 W27 | H23-E25 PolarHBondContact O-N 2.71Å; E25-W27 PolarHBondContact O-N 2.93Å | ||
| 26 | L | 43.3 | Very low | 41.4 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | trans | -69.2 | 78.2 | 161.9 | -78.3 | 163.9 | 0 | 0 | 0 | 103.7 | V24 P28 | V24-L26 HydrophobicContact CB-CD1 4.47Å; V24-L26 HydrophobicContact CB-CG 4.13Å; V24-L26 HydrophobicContact CG2-CD1 3.78Å; V24-L26 HydrophobicContact CG2-CG 3.97Å; V24-L26 PolarHBondContact O-N 3.32Å; L26-P28 VanDerWaalsContact O-CD 3.29Å; L26-P28 WeakPolarHBondContact O-CD 3.48Å; L26-P28 VanDerWaalsContact O-N 3.1Å | ||
| 27 | W | 34.7 | Very low | 42 | Very low | 199 Ų | 199 | 141.1 Ų | 141.1 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | trans | -41.5 | 119.7 | 157.3 | -95.9 | 29.1 | 0 | 0 | 0 | 106.4 | E25 D29 | E25-W27 PolarHBondContact O-N 2.93Å; W27-D29 PolarHBondContact O-N 3.5Å | ||
| 28 | P | 38.8 | Very low | 42.5 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 84% | 0.844 | 74% | 0.735 | S | S | * | * | trans | -70.3 | 77.4 | 171.2 | 27.1 | -30 | 0 | 0 | 0 | 106.8 | L26 S30 | L26-P28 VanDerWaalsContact O-CD 3.29Å; L26-P28 WeakPolarHBondContact O-CD 3.48Å; L26-P28 VanDerWaalsContact O-N 3.1Å; P28-S30 PolarHBondContact O-N 3.29Å | ||
| 29 | D | 40.2 | Very low | 42.6 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | trans | -80.8 | 103.7 | 178.6 | -152.8 | 4.2 | 0 | 0 | 0 | 106.9 | W27 | W27-D29 PolarHBondContact O-N 3.5Š| ||
| 30 | S | 38.1 | Very low | 42.7 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 81.7 | 146.7 | 173.2 | 79.3 | 0 | 0 | 0 | 0 | 117.5 | P28 | P28-S30 PolarHBondContact O-N 3.29Š|
| 31 | P | 41.7 | Very low | 42.9 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | trans | -74.5 | 147.4 | -152 | 31.4 | -32.3 | 0 | 0 | 0 | 110.4 | P33 | P31-P33 WeakPolarHBondContact O-CD 3.49Š| ||
| 32 | T | 39.8 | Very low | 43.4 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 68% | 0.675 | 70% | 0.695 | S | S | * | * | trans | -19.4 | 104.9 | 156.8 | 37.8 | 0 | 0 | 0 | 0 | 109.7 | E34 | T32-E34 PolarHBondContact O-N 2.95Š| ||
| 33 | P | 44.9 | Very low | 43.8 | Very low | 110 Ų | 110 | 127.8 Ų | 127.8 | 71% | 0.714 | 69% | 0.69 | S | S | * | * | trans | -53.9 | 109.6 | 146.9 | 23.6 | -27.8 | 0 | 0 | 0 | 102 | P31 V35 | P31-P33 WeakPolarHBondContact O-CD 3.49Å; P33-V35 PolarHBondContact O-N 3.45Å | ||
| 34 | E | 44.5 | Very low | 44.3 | Very low | 164 Ų | 164 | 125.5 Ų | 125.5 | 77% | 0.766 | 68% | 0.683 | S | S | * | * | trans | -59.5 | 71.5 | 151 | -38.4 | -168.4 | 154.6 | 0 | 0 | 102.7 | T32 E36 | T32-E34 PolarHBondContact O-N 2.95Å; E34-E36 PolarHBondContact O-N 3.17Å | ||
| 35 | V | 49.1 | Very low | 44.2 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 62% | 0.624 | 69% | 0.692 | S | S | * | * | trans | -65.9 | 83 | 148.6 | 72.4 | 0 | 0 | 0 | 0 | 99.9 | P33 I37 | P33-V35 PolarHBondContact O-N 3.45Å; V35-I37 HydrophobicContact CG2-CG2 4.44Å; V35-I37 PolarHBondContact O-N 2.8Å | ||
| 36 | E | 41.1 | Very low | 44.4 | Very low | 165 Ų | 165 | 127.3 Ų | 127.3 | 77% | 0.771 | 69% | 0.692 | S | S | * | * | trans | -40.2 | 90.4 | 132.6 | -61.5 | -174.7 | 141.1 | 0 | 0 | 102.8 | E34 E38 | E34-E36 PolarHBondContact O-N 3.17Å; E36-E38 PolarHBondContact O-N 2.81Å | ||
| 37 | I | 48.3 | Very low | 44.6 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 67% | 0.667 | 69% | 0.689 | S | S | * | * | trans | -59.7 | 82.6 | 157.1 | 19.8 | 168 | 0 | 0 | 0 | 101 | V35 G39 | V35-I37 HydrophobicContact CG2-CG2 4.44Å; V35-I37 PolarHBondContact O-N 2.8Å; I37-G39 VanDerWaalsContact C-N 3.27Å; I37-G39 WeakPolarHBondContact O-CA 3.46Å; I37-G39 PolarHBondContact O-N 3.14Å | ||
| 38 | E | 49.1 | Very low | 45.2 | Very low | 179 Ų | 179 | 120.7 Ų | 120.7 | 84% | 0.836 | 68% | 0.684 | S | S | * | * | trans | -42.1 | 106.8 | 164.4 | -176.1 | 170.4 | -159.4 | 0 | 0 | 102.4 | E36 V40 | E36-E38 PolarHBondContact O-N 2.81Å; E38-V40 PolarHBondContact O-N 3.32Å | ||
| 39 | G | 42.7 | Very low | 45.4 | Very low | 63 Ų | 63 | 120.5 Ų | 120.5 | 65% | 0.649 | 68% | 0.676 | S | S | * | * | trans | -44.3 | 115 | -158.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | I37 N41 | I37-G39 VanDerWaalsContact C-N 3.27Å; I37-G39 WeakPolarHBondContact O-CA 3.46Å; I37-G39 PolarHBondContact O-N 3.14Å; G39-N41 VanDerWaalsContact C-N 3.3Å; G39-N41 WeakPolarHBondContact O-CA 3.32Å; G39-N41 PolarHBondContact O-N 3.05Å | ||
| 40 | V | 42.6 | Very low | 45.5 | Very low | 89 Ų | 89 | 122.2 Ų | 122.2 | 54% | 0.539 | 69% | 0.685 | S | S | . | * | trans | -50 | 104.4 | -171.9 | 178.5 | 0 | 0 | 0 | 0 | 106 | E38 L42 F45 | E38-V40 PolarHBondContact O-N 3.32Å; V40-L42 VanDerWaalsContact C-N 3.34Å; V40-L42 PolarHBondContact O-N 3.24Å; V40-F45 HydrophobicContact CG1-CD2 4.13Å; V40-F45 HydrophobicContact CG1-CE2 3.52Å; V40-F45 HydrophobicContact CG1-CZ 4.46Å | ||
| 41 | N | 44.6 | Very low | 45.9 | Very low | 94 Ų | 94 | 124.3 Ų | 124.3 | 50% | 0.503 | 68% | 0.684 | S | S | . | * | trans | -74.2 | 98.7 | -173 | -169.6 | 29.8 | 0 | 0 | 0 | 104.5 | G39 E43 D44 | G39-N41 VanDerWaalsContact C-N 3.3Å; G39-N41 WeakPolarHBondContact O-CA 3.32Å; G39-N41 PolarHBondContact O-N 3.05Å; N41-E43 PolarHBondContact O-N 2.84Å; N41-E43 VanDerWaalsContact O-N 3.08Å; N41-E43 PolarHBondContact OD1-OE2 2.87Å; N41-D44 HydrophobicContact CB-CB 4.42Å; N41-D44 PolarHBondContact O-N 3.48Å | ||
| 42 | L | 51 | Low | 46.1 | Very low | 126 Ų | 126 | 126 Ų | 126 | 66% | 0.66 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -58.2 | -24.2 | -177.9 | -65.1 | 172 | 0 | 0 | 0 | 110.3 | V40 D44 F45 | V40-L42 VanDerWaalsContact C-N 3.34Å; V40-L42 PolarHBondContact O-N 3.24Å; L42-D44 PolarHBondContact O-N 3.33Å; L42-F45 PolarHBondContact O-N 3.45Å |
| 43 | E | 51.1 | Low | 46.3 | Very low | 132 Ų | 132 | 125 Ų | 125 | 62% | 0.617 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -64.1 | -31.1 | 172.8 | -71.3 | 70 | -159.4 | 0 | 0 | 113.9 | N41 V46 | N41-E43 PolarHBondContact O-N 2.84Å; N41-E43 VanDerWaalsContact O-N 3.08Å; N41-E43 PolarHBondContact OD1-OE2 2.87Å; E43-V46 PolarHBondContact O-N 3.34Å |
| 44 | D | 53.5 | Low | 46.4 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 56% | 0.556 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -74.1 | -31.4 | 178.4 | -167 | 48.1 | 0 | 0 | 0 | 111.9 | N41 L42 V46 S47 | N41-D44 HydrophobicContact CB-CB 4.42Å; N41-D44 PolarHBondContact O-N 3.48Å; L42-D44 PolarHBondContact O-N 3.33Å; D44-V46 PolarHBondContact O-N 3.34Å; D44-S47 PolarHBondContact O-N 3.24Å |
| 45 | F | 43.4 | Very low | 46.5 | Very low | 161 Ų | 161 | 122.9 Ų | 122.9 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -67 | -20.9 | 173.1 | -79.8 | -87.1 | 0 | 0 | 0 | 113.1 | V40 L42 | V40-F45 HydrophobicContact CG1-CD2 4.13Å; V40-F45 HydrophobicContact CG1-CE2 3.52Å; V40-F45 HydrophobicContact CG1-CZ 4.46Å; L42-F45 PolarHBondContact O-N 3.45Å |
| 46 | V | 49.2 | Very low | 46.5 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -80.5 | -22 | 177.6 | 177.7 | 0 | 0 | 0 | 0 | 111.9 | E43 D44 | E43-V46 PolarHBondContact O-N 3.34Å; D44-V46 PolarHBondContact O-N 3.34Å |
| 47 | S | 48 | Very low | 46.9 | Very low | 99 Ų | 99 | 122.9 Ų | 122.9 | 69% | 0.692 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -99.8 | 3 | -169.8 | -156.2 | 0 | 0 | 0 | 0 | 115.9 | D44 | D44-S47 PolarHBondContact O-N 3.24Š|
| 48 | T | 46.8 | Very low | 47.2 | Very low | 105 Ų | 105 | 121 Ų | 121 | 64% | 0.644 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -126.8 | 58.8 | -174 | -39.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 49 | D | 44.1 | Very low | 47.8 | Very low | 127 Ų | 127 | 116.5 Ų | 116.5 | 68% | 0.679 | 67% | 0.669 | S | S | * | * | trans | -164.7 | 59.9 | 153.6 | -145 | 33.7 | 0 | 0 | 0 | 112.2 | ||||
| 50 | D | 42.5 | Very low | 48.2 | Very low | 169 Ų | 169 | 117 Ų | 117 | 90% | 0.904 | 66% | 0.661 | S | S | * | * | trans | -84.8 | 9.4 | 170.7 | -169.6 | 43.3 | 0 | 0 | 0 | 112.4 | ||||
| 51 | E | 46.1 | Very low | 49.2 | Very low | 146 Ų | 146 | 119.3 Ų | 119.3 | 68% | 0.682 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -134.5 | 97.5 | 178.4 | -135.7 | -152.7 | 145.2 | 0 | 0 | 111.1 | ||
| 52 | L | 45.6 | Very low | 50.4 | Low | 142 Ų | 142 | 117.4 Ų | 117.4 | 74% | 0.743 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 134.4 | 130.2 | 133.1 | -65.8 | 177 | 0 | 0 | 0 | 113.7 | ||
| 53 | A | 45.3 | Very low | 51 | Low | 90 Ų | 90 | 114.6 Ų | 114.6 | 74% | 0.744 | 64% | 0.644 | S | S | * | * | trans | 75.3 | 125.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | S55 | A53-S55 PolarHBondContact O-N 2.99Š| ||
| 54 | T | 45.8 | Very low | 51.5 | Low | 143 Ų | 143 | 113.8 Ų | 113.8 | 88% | 0.877 | 64% | 0.639 | S | S | * | * | trans | -55.4 | 64.6 | 162.4 | 55.6 | 0 | 0 | 0 | 0 | 111 | T56 | T54-T56 PolarHBondContact O-N 3.01Å; T54-T56 VanDerWaalsContact O-N 3.13Å | ||
| 55 | S | 47 | Very low | 52.4 | Low | 86 Ų | 86 | 113.4 Ų | 113.4 | 60% | 0.601 | 63% | 0.634 | S | S | * | * | trans | -69.3 | 108.4 | 159.5 | -166.3 | 0 | 0 | 0 | 0 | 103.8 | A53 E57 | A53-S55 PolarHBondContact O-N 2.99Å; S55-E57 PolarHBondContact O-N 3.31Å | ||
| 56 | T | 48.2 | Very low | 53.4 | Low | 136 Ų | 136 | 109.1 Ų | 109.1 | 83% | 0.834 | 62% | 0.624 | S | S | * | * | trans | -65.8 | 68.7 | 159 | -56.7 | 0 | 0 | 0 | 0 | 105.6 | T54 P58 | T54-T56 PolarHBondContact O-N 3.01Å; T54-T56 VanDerWaalsContact O-N 3.13Å; T56-P58 VanDerWaalsContact O-CD 3.32Å; T56-P58 WeakPolarHBondContact O-CD 3.32Å; T56-P58 VanDerWaalsContact O-N 3.17Å | ||
| 57 | E | 51.1 | Low | 54.1 | Low | 132 Ų | 132 | 104.9 Ų | 104.9 | 62% | 0.617 | 60% | 0.596 | S | S | * | * | trans | -65.9 | 115.1 | 177.8 | -159.7 | 165.6 | 158.1 | 0 | 0 | 103.8 | S55 D59 | S55-E57 PolarHBondContact O-N 3.31Å; E57-D59 PolarHBondContact O-N 2.86Å | ||
| 58 | P | 53.5 | Low | 54.9 | Low | 90 Ų | 90 | 103.5 Ų | 103.5 | 58% | 0.584 | 58% | 0.581 | S | S | * | * | trans | -57.2 | 122.5 | 179.7 | 23.4 | -31.2 | 0 | 0 | 0 | 106.6 | T56 P60 | T56-P58 VanDerWaalsContact O-CD 3.32Å; T56-P58 WeakPolarHBondContact O-CD 3.32Å; T56-P58 VanDerWaalsContact O-N 3.17Å; P58-P60 WeakPolarHBondContact O-CD 3.15Å | ||
| 59 | D | 62.6 | Low | 56 | Low | 85 Ų | 85 | 101.2 Ų | 101.2 | 46% | 0.455 | 57% | 0.573 | S | S | . | * | trans | -48 | 117.6 | 178.4 | 167.9 | 27.3 | 0 | 0 | 0 | 108.5 | E57 Q61 A62 Y63 | E57-D59 PolarHBondContact O-N 2.86Å; D59-Q61 PolarHBondContact O-N 3.47Å; D59-Q61 VanDerWaalsContact O-N 3.08Å; D59-Q61 WeakPolarHBondContact OD1-CB 3.49Å; D59-Q61 PolarHBondContact OD1-N 2.8Å; D59-Q61 VanDerWaalsContact OD1-N 3.14Å; D59-A62 HydrophobicContact CB-CB 3.9Å; D59-A62 WeakPolarHBondContact O-CB 3.27Å; D59-A62 PolarHBondContact O-N 3.2Å; D59-A62 PolarHBondContact OD2-N 3.29Å; D59-Y63 PolarHBondContact O-N 2.95Å; D59-Y63 VanDerWaalsContact O-N 3.09Å | ||
| 60 | P | 51.2 | Low | 57 | Low | 73 Ų | 73 | 103.3 Ų | 103.3 | 47% | 0.474 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -53 | -34.5 | -178.3 | -26.9 | 33.8 | 0 | 0 | 0 | 111.5 | P58 Y63 F64 | P58-P60 WeakPolarHBondContact O-CD 3.15Å; P60-Y63 PolarHBondContact O-N 3.44Å; P60-F64 WeakPolarHBondContact O-CD2 3.42Å; P60-F64 PolarHBondContact O-N 3.15Å |
| 61 | Q | 62.8 | Low | 57.9 | Low | 139 Ų | 139 | 97.3 Ų | 97.3 | 65% | 0.65 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.7 | -44.3 | 177.6 | -171.4 | 176.1 | -97.5 | 0 | 0 | 112 | D59 Y63 F64 Q65 | D59-Q61 PolarHBondContact O-N 3.47Å; D59-Q61 VanDerWaalsContact O-N 3.08Å; D59-Q61 WeakPolarHBondContact OD1-CB 3.49Å; D59-Q61 PolarHBondContact OD1-N 2.8Å; D59-Q61 VanDerWaalsContact OD1-N 3.14Å; Q61-Y63 PolarHBondContact O-N 3.47Å; Q61-F64 PolarHBondContact O-N 2.8Å; Q61-Q65 WeakPolarHBondContact O-CG 3.44Å; Q61-Q65 PolarHBondContact O-N 2.6Å |
| 62 | A | 69 | Low | 58 | Low | 53 Ų | 53 | 93.1 Ų | 93.1 | 44% | 0.438 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.2 | -33.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D59 S66 | D59-A62 HydrophobicContact CB-CB 3.9Å; D59-A62 WeakPolarHBondContact O-CB 3.27Å; D59-A62 PolarHBondContact O-N 3.2Å; D59-A62 PolarHBondContact OD2-N 3.29Å; A62-S66 WeakPolarHBondContact O-CB 3.27Å; A62-S66 PolarHBondContact O-N 3.41Å |
| 63 | Y | 63.5 | Low | 58.4 | Low | 67 Ų | 67 | 88.3 Ų | 88.3 | 26% | 0.263 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.1 | -44.2 | 176.2 | -178.6 | -101.5 | 0 | 0 | 0 | 112.6 | D59 P60 Q61 Q65 S66 I67 L106 | D59-Y63 PolarHBondContact O-N 2.95Å; D59-Y63 VanDerWaalsContact O-N 3.09Å; P60-Y63 PolarHBondContact O-N 3.44Å; Q61-Y63 PolarHBondContact O-N 3.47Å; Y63-Q65 VanDerWaalsContact C-N 3.31Å; Y63-Q65 PolarHBondContact O-N 2.65Å; Y63-S66 WeakPolarHBondContact O-CB 3.34Å; Y63-S66 PolarHBondContact O-N 2.65Å; Y63-I67 HydrophobicContact CD1-CD1 3.8Å; Y63-I67 HydrophobicContact CE1-CD1 3.16Å; Y63-I67 HydrophobicContact CE1-CG1 4.1Å; Y63-I67 HydrophobicContact CE2-CD1 4.33Å; Y63-I67 VanDerWaalsContact CZ-CD1 3.49Å; Y63-I67 PolarHBondContact O-N 2.9Å; Y63-L106 HydrophobicContact CE1-CD1 3.62Å |
| 64 | F | 63.1 | Low | 58.3 | Low | 115 Ų | 115 | 86.6 Ų | 86.6 | 50% | 0.504 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 173 | -81.4 | -71.2 | 0 | 0 | 0 | 111.5 | P60 Q61 S66 I67 L68 | P60-F64 WeakPolarHBondContact O-CD2 3.42Å; P60-F64 PolarHBondContact O-N 3.15Å; Q61-F64 PolarHBondContact O-N 2.8Å; F64-S66 VanDerWaalsContact C-N 3.33Å; F64-S66 PolarHBondContact O-N 3.2Å; F64-I67 PolarHBondContact O-N 2.86Å; F64-L68 WeakPolarHBondContact O-CB 3.39Å; F64-L68 VanDerWaalsContact O-CG 3.27Å; F64-L68 WeakPolarHBondContact O-CG 3.45Å; F64-L68 PolarHBondContact O-N 2.91Å |
| 65 | Q | 71.1 | Confident | 58.5 | Low | 97 Ų | 97 | 84.9 Ų | 84.9 | 45% | 0.453 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 174.6 | -71.5 | -73 | -2.2 | 0 | 0 | 111.8 | Q61 Y63 I67 L68 A69 | Q61-Q65 WeakPolarHBondContact O-CG 3.44Å; Q61-Q65 PolarHBondContact O-N 2.6Å; Y63-Q65 VanDerWaalsContact C-N 3.31Å; Y63-Q65 PolarHBondContact O-N 2.65Å; Q65-I67 PolarHBondContact O-N 3.29Å; Q65-L68 PolarHBondContact O-N 3.5Å; Q65-A69 VanDerWaalsContact O-CB 3.27Å; Q65-A69 WeakPolarHBondContact O-CB 3.46Å; Q65-A69 PolarHBondContact O-N 2.99Å |
| 66 | S | 65.1 | Low | 58.5 | Low | 70 Ų | 70 | 88.3 Ų | 88.3 | 49% | 0.49 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 176.6 | -170.8 | 0 | 0 | 0 | 0 | 112.6 | A62 Y63 F64 A69 E70 | A62-S66 WeakPolarHBondContact O-CB 3.27Å; A62-S66 PolarHBondContact O-N 3.41Å; Y63-S66 WeakPolarHBondContact O-CB 3.34Å; Y63-S66 PolarHBondContact O-N 2.65Å; F64-S66 VanDerWaalsContact C-N 3.33Å; F64-S66 PolarHBondContact O-N 3.2Å; S66-A69 PolarHBondContact O-N 3.08Å; S66-E70 WeakPolarHBondContact O-CB 3.35Å; S66-E70 PolarHBondContact O-N 3.42Å |
| 67 | I | 64.7 | Low | 58.3 | Low | 38 Ų | 38 | 89.3 Ų | 89.3 | 20% | 0.195 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 175.5 | -69.7 | 174 | 0 | 0 | 0 | 110.4 | Y63 F64 Q65 A69 E70 A71 V102 | Y63-I67 HydrophobicContact CD1-CD1 3.8Å; Y63-I67 HydrophobicContact CE1-CD1 3.16Å; Y63-I67 HydrophobicContact CE1-CG1 4.1Å; Y63-I67 HydrophobicContact CE2-CD1 4.33Å; Y63-I67 VanDerWaalsContact CZ-CD1 3.49Å; Y63-I67 PolarHBondContact O-N 2.9Å; F64-I67 PolarHBondContact O-N 2.86Å; Q65-I67 PolarHBondContact O-N 3.29Å; I67-A69 VanDerWaalsContact C-N 3.34Å; I67-E70 PolarHBondContact O-N 2.92Å; I67-A71 VanDerWaalsContact O-CB 3.27Å; I67-A71 WeakPolarHBondContact O-CB 3.27Å; I67-A71 PolarHBondContact O-N 3.04Å; I67-V102 HydrophobicContact CG2-CG1 4.26Å |
| 68 | L | 64.1 | Low | 58 | Low | 70 Ų | 70 | 89.9 Ų | 89.9 | 37% | 0.366 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 177.6 | -69.4 | 173.7 | 0 | 0 | 0 | 110.8 | F64 Q65 A71 G72 L73 | F64-L68 WeakPolarHBondContact O-CB 3.39Å; F64-L68 VanDerWaalsContact O-CG 3.27Å; F64-L68 WeakPolarHBondContact O-CG 3.45Å; F64-L68 PolarHBondContact O-N 2.91Å; Q65-L68 PolarHBondContact O-N 3.5Å; L68-A71 CarbonylContact O-C 3.55Å; L68-A71 PolarHBondContact O-N 3.33Å; L68-G72 PolarHBondContact O-N 3.17Å; L68-G72 VanDerWaalsContact O-N 3.14Å; L68-L73 HydrophobicContact CB-CB 4.28Å; L68-L73 HydrophobicContact CD2-CB 4.32Å; L68-L73 HydrophobicContact CD2-CD1 3.93Å; L68-L73 WeakPolarHBondContact O-CA 3.23Å; L68-L73 WeakPolarHBondContact O-CB 3.45Å; L68-L73 PolarHBondContact O-N 3.47Å |
| 69 | A | 69.5 | Low | 57.7 | Low | 57 Ų | 57 | 91.4 Ų | 91.4 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q65 S66 I67 A71 G72 | Q65-A69 VanDerWaalsContact O-CB 3.27Å; Q65-A69 WeakPolarHBondContact O-CB 3.46Å; Q65-A69 PolarHBondContact O-N 2.99Å; S66-A69 PolarHBondContact O-N 3.08Å; I67-A69 VanDerWaalsContact C-N 3.34Å; A69-A71 VanDerWaalsContact C-N 3.3Å; A69-A71 PolarHBondContact O-N 3.27Å; A69-G72 PolarHBondContact O-N 3.28Å |
| 70 | E | 65.3 | Low | 56.5 | Low | 171 Ų | 171 | 95.1 Ų | 95.1 | 80% | 0.799 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.2 | -35.2 | 175.2 | -174 | 176.8 | 172 | 0 | 0 | 112.1 | S66 I67 G72 | S66-E70 WeakPolarHBondContact O-CB 3.35Å; S66-E70 PolarHBondContact O-N 3.42Å; I67-E70 PolarHBondContact O-N 2.92Å; E70-G72 PolarHBondContact O-N 2.85Å |
| 71 | A | 61.6 | Low | 56.1 | Low | 43 Ų | 43 | 99.8 Ų | 99.8 | 36% | 0.355 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -6.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I67 L68 A69 L73 | I67-A71 VanDerWaalsContact O-CB 3.27Å; I67-A71 WeakPolarHBondContact O-CB 3.27Å; I67-A71 PolarHBondContact O-N 3.04Å; L68-A71 CarbonylContact O-C 3.55Å; L68-A71 PolarHBondContact O-N 3.33Å; A69-A71 VanDerWaalsContact C-N 3.3Å; A69-A71 PolarHBondContact O-N 3.27Å; A71-L73 HydrophobicContact CB-CD1 4.12Å |
| 72 | G | 47.3 | Very low | 55.2 | Low | 58 Ų | 58 | 102.8 Ų | 102.8 | 60% | 0.598 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.6 | 15.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L68 A69 E70 | L68-G72 PolarHBondContact O-N 3.17Å; L68-G72 VanDerWaalsContact O-N 3.14Å; A69-G72 PolarHBondContact O-N 3.28Å; E70-G72 PolarHBondContact O-N 2.85Å |
| 73 | L | 54.8 | Low | 53.9 | Low | 42 Ų | 42 | 103 Ų | 103 | 22% | 0.22 | 56% | 0.561 | C | S | . | * | trans | -100 | 44.9 | -179.3 | -69.8 | 158.8 | 0 | 0 | 0 | 111.2 | L68 A71 Q92 L94 | L68-L73 HydrophobicContact CB-CB 4.28Å; L68-L73 HydrophobicContact CD2-CB 4.32Å; L68-L73 HydrophobicContact CD2-CD1 3.93Å; L68-L73 WeakPolarHBondContact O-CA 3.23Å; L68-L73 WeakPolarHBondContact O-CB 3.45Å; L68-L73 PolarHBondContact O-N 3.47Å; A71-L73 HydrophobicContact CB-CD1 4.12Å; L73-Q92 HydrophobicContact CD2-CB 3.72Å; L73-L94 HydrophobicContact CD1-CD1 3.92Å; L73-L94 HydrophobicContact CD1-CD2 4.44Å; L73-L94 HydrophobicContact CD1-CG 4.25Å | ||
| 74 | S | 43.8 | Very low | 53.2 | Low | 54 Ų | 54 | 109.5 Ų | 109.5 | 38% | 0.378 | 59% | 0.594 | S | S | . | * | trans | -68.9 | 130.8 | 175.2 | -165.1 | 0 | 0 | 0 | 0 | 109.5 | E76 | S74-E76 PolarHBondContact O-N 3.11Å; S74-E76 VanDerWaalsContact O-N 3.14Å; S74-E76 WeakPolarHBondContact OG-CG 3.48Å; S74-E76 PolarHBondContact OG-OE1 3.01Å | ||
| 75 | P | 48.4 | Very low | 52.4 | Low | 106 Ų | 106 | 109.3 Ų | 109.3 | 69% | 0.688 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 10.3 | 179.7 | 29.8 | -34.6 | 0 | 0 | 0 | 114.5 | ||
| 76 | E | 47 | Very low | 51.3 | Low | 158 Ų | 158 | 112.9 Ų | 112.9 | 74% | 0.738 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | 5.2 | -168.4 | 72.8 | -165.5 | 119 | 0 | 0 | 117.2 | S74 | S74-E76 PolarHBondContact O-N 3.11Å; S74-E76 VanDerWaalsContact O-N 3.14Å; S74-E76 WeakPolarHBondContact OG-CG 3.48Å; S74-E76 PolarHBondContact OG-OE1 3.01Å |
| 77 | D | 44 | Very low | 50.4 | Low | 158 Ų | 158 | 114.4 Ų | 114.4 | 85% | 0.845 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -130.3 | 81.3 | 174.2 | -85.4 | -38.3 | 0 | 0 | 0 | 111.6 | ||
| 78 | D | 45.6 | Very low | 49.5 | Very low | 144 Ų | 144 | 120.2 Ų | 120.2 | 77% | 0.77 | 65% | 0.647 | S | S | * | * | -172.4 | 77.9 | 124.6 | -145.2 | 11.5 | 0 | 0 | 0 | 109.6 | |||||
| 79 | V | 47.5 | Very low | 48.7 | Very low | 122 Ų | 122 | 124.2 Ų | 124.2 | 74% | 0.739 | 66% | 0.664 | S | S | * | * | trans | -93.3 | 132.2 | 164.2 | 84.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 80 | E | 37.9 | Very low | 47.5 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 76% | 0.762 | 68% | 0.682 | S | S | * | * | trans | 80.3 | 85.8 | 167.9 | -50.2 | -75.1 | 131.9 | 0 | 0 | 117.5 | ||||
| 81 | E | 42.1 | Very low | 46.8 | Very low | 170 Ų | 170 | 125.5 Ų | 125.5 | 79% | 0.794 | 67% | 0.668 | S | S | * | * | -155.4 | 117.1 | 128.6 | -101.9 | -77.6 | 133.3 | 0 | 0 | 106.9 | S83 | E81-S83 PolarHBondContact O-N 3.33Š| |||
| 82 | E | 43.4 | Very low | 46.3 | Very low | 203 Ų | 203 | 128.3 Ų | 128.3 | 95% | 0.949 | 67% | 0.674 | S | S | * | * | trans | -61.7 | 75.1 | 169.9 | -68.4 | -169.8 | 148.4 | 0 | 0 | 109.8 | ||||
| 83 | S | 42.3 | Very low | 46.7 | Very low | 57 Ų | 57 | 134 Ų | 134 | 40% | 0.399 | 68% | 0.682 | S | S | . | * | trans | -109.9 | 109.7 | 168.3 | 68.4 | 0 | 0 | 0 | 0 | 107.8 | E81 N85 | E81-S83 PolarHBondContact O-N 3.33Å; S83-N85 PolarHBondContact O-N 3.06Å | ||
| 84 | E | 47.6 | Very low | 46.8 | Very low | 204 Ų | 204 | 136 Ų | 136 | 95% | 0.953 | 69% | 0.692 | S | S | * | * | trans | -58.1 | 8.9 | 160.2 | -72.1 | -179.3 | 156.8 | 0 | 0 | 112.7 | E86 | E84-E86 PolarHBondContact O-N 3.45Š| ||
| 85 | N | 46.9 | Very low | 48.2 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 59% | 0.594 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -67.6 | 90.2 | 164.8 | 179.6 | 85.9 | 0 | 0 | 0 | 106.5 | S83 T87 | S83-N85 PolarHBondContact O-N 3.06Å; N85-T87 VanDerWaalsContact O-CA 3.23Å; N85-T87 WeakPolarHBondContact O-CA 3.37Å; N85-T87 PolarHBondContact O-N 2.88Å; N85-T87 PolarHBondContact O-OG1 3.38Å |
| 86 | E | 47.7 | Very low | 49.1 | Very low | 172 Ų | 172 | 141 Ų | 141 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | trans | 7.2 | 71 | 143 | -161.5 | 175.5 | 177.2 | 0 | 0 | 110.4 | E84 E88 | E84-E86 PolarHBondContact O-N 3.45Å; E86-E88 PolarHBondContact O-N 3.3Å | ||
| 87 | T | 46 | Very low | 50.5 | Low | 101 Ų | 101 | 140.5 Ų | 140.5 | 62% | 0.62 | 70% | 0.696 | S | S | * | * | trans | -79.2 | 92 | -173.5 | 3.9 | 0 | 0 | 0 | 0 | 99.1 | N85 E89 | N85-T87 VanDerWaalsContact O-CA 3.23Å; N85-T87 WeakPolarHBondContact O-CA 3.37Å; N85-T87 PolarHBondContact O-N 2.88Å; N85-T87 PolarHBondContact O-OG1 3.38Å; T87-E89 PolarHBondContact O-N 3.31Å | ||
| 88 | E | 46.9 | Very low | 52.2 | Low | 161 Ų | 161 | 134.9 Ų | 134.9 | 75% | 0.752 | 67% | 0.666 | S | S | * | * | trans | -53 | 78.7 | 148.1 | -71.5 | -160.9 | 132.3 | 0 | 0 | 104.5 | E86 M90 | E86-E88 PolarHBondContact O-N 3.3Å; E88-M90 PolarHBondContact O-N 2.87Å | ||
| 89 | E | 47.3 | Very low | 53.9 | Low | 153 Ų | 153 | 130.1 Ų | 130.1 | 72% | 0.715 | 64% | 0.642 | S | S | * | * | trans | -39.1 | 118.8 | 169.7 | -173.3 | -171.5 | -176.3 | 0 | 0 | 102.6 | T87 V91 | T87-E89 PolarHBondContact O-N 3.31Å; E89-V91 HydrophobicContact CB-CG2 3.92Å; E89-V91 HydrophobicContact CG-CG2 3.68Å; E89-V91 PolarHBondContact O-N 3.1Å; E89-V91 WeakPolarHBondContact OE2-CG2 3.48Å | ||
| 90 | M | 44.5 | Very low | 55.6 | Low | 171 Ų | 171 | 125.9 Ų | 125.9 | 84% | 0.842 | 62% | 0.623 | S | S | * | * | trans | -67.4 | 49.4 | 174 | -64 | -176.7 | -70.9 | 0 | 0 | 108.3 | E88 Q92 | E88-M90 PolarHBondContact O-N 2.87Å; M90-Q92 PolarHBondContact O-N 2.9Å | ||
| 91 | V | 50.3 | Low | 57.9 | Low | 84 Ų | 84 | 123.9 Ų | 123.9 | 51% | 0.509 | 61% | 0.609 | S | S | . | * | trans | -48.6 | 85.1 | 143.2 | -170.3 | 0 | 0 | 0 | 0 | 103.5 | E89 K93 | E89-V91 HydrophobicContact CB-CG2 3.92Å; E89-V91 HydrophobicContact CG-CG2 3.68Å; E89-V91 PolarHBondContact O-N 3.1Å; E89-V91 WeakPolarHBondContact OE2-CG2 3.48Å; V91-K93 WeakPolarHBondContact O-CA 3.24Å; V91-K93 WeakPolarHBondContact O-CG 3.3Å; V91-K93 PolarHBondContact O-N 2.86Å | ||
| 92 | Q | 50.3 | Low | 60 | Low | 103 Ų | 103 | 118.2 Ų | 118.2 | 48% | 0.481 | 59% | 0.585 | S | S | . | * | trans | -48.6 | 101.9 | 169.2 | -167 | 176.1 | 0.7 | 0 | 0 | 101.8 | L73 M90 L94 | L73-Q92 HydrophobicContact CD2-CB 3.72Å; M90-Q92 PolarHBondContact O-N 2.9Å; Q92-L94 PolarHBondContact O-N 3.26Å | ||
| 93 | K | 57.2 | Low | 62 | Low | 177 Ų | 177 | 109.6 Ų | 109.6 | 77% | 0.77 | 55% | 0.545 | S | S | * | . | trans | -67.3 | 88.7 | -172.4 | -76.2 | 177.7 | -178.1 | 163.6 | 0 | 103.4 | V91 K95 | V91-K93 WeakPolarHBondContact O-CA 3.24Å; V91-K93 WeakPolarHBondContact O-CG 3.3Å; V91-K93 PolarHBondContact O-N 2.86Å; K93-K95 PolarHBondContact O-N 2.79Å | ||
| 94 | L | 56.2 | Low | 64.1 | Low | 84 Ų | 84 | 109.3 Ų | 109.3 | 44% | 0.44 | 55% | 0.547 | S | S | . | . | trans | -51.4 | 116.2 | 173.5 | -79.5 | 170.6 | 0 | 0 | 0 | 103.6 | L73 Q92 E96 D98 V99 | L73-L94 HydrophobicContact CD1-CD1 3.92Å; L73-L94 HydrophobicContact CD1-CD2 4.44Å; L73-L94 HydrophobicContact CD1-CG 4.25Å; Q92-L94 PolarHBondContact O-N 3.26Å; L94-E96 PolarHBondContact O-N 2.63Å; L94-D98 HydrophobicContact CD2-CB 4.23Å; L94-V99 HydrophobicContact CB-CG2 3.78Å; L94-V99 HydrophobicContact CD1-CG2 4.38Å | ||
| 95 | K | 73.2 | Confident | 66 | Low | 144 Ų | 144 | 105.5 Ų | 105.5 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | trans | -61.4 | 146.3 | 178.2 | -65.5 | 179.7 | 179.5 | 174.4 | 0 | 105.7 | K93 E97 D98 V99 | K93-K95 PolarHBondContact O-N 2.79Å; K95-E97 PolarHBondContact O-N 2.64Å; K95-D98 WeakPolarHBondContact CB-OD2 3.29Å; K95-D98 PolarHBondContact N-OD2 2.91Å; K95-D98 WeakPolarHBondContact O-CA 3.48Å; K95-D98 WeakPolarHBondContact O-CB 3.41Å; K95-D98 PolarHBondContact O-N 2.69Å; K95-V99 PolarHBondContact O-N 3.48Å; K95-V99 VanDerWaalsContact O-N 3.16Å | ||
| 96 | E | 67.9 | Low | 67.8 | Low | 120 Ų | 120 | 100.9 Ų | 100.9 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -49.2 | -36.2 | 176.2 | -174.9 | -175 | 146.7 | 0 | 0 | 111.5 | L94 V99 G100 V132 | L94-E96 PolarHBondContact O-N 2.63Å; E96-V99 PolarHBondContact O-N 3.29Å; E96-G100 PolarHBondContact O-N 3.42Å; E96-V132 HydrophobicContact CG-CG2 3.75Å; E96-V132 VanDerWaalsContact OE1-CG1 3.29Å; E96-V132 WeakPolarHBondContact OE1-CG1 3.46Å; E96-V132 VanDerWaalsContact OE1-CG2 3.28Å; E96-V132 WeakPolarHBondContact OE1-CG2 3.48Å |
| 97 | E | 74.8 | Confident | 69.7 | Low | 149 Ų | 149 | 97.1 Ų | 97.1 | 70% | 0.696 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.2 | -40.7 | 172.9 | -174.1 | 178.4 | -176.5 | 0 | 0 | 113.8 | K95 G100 R101 | K95-E97 PolarHBondContact O-N 2.64Å; E97-G100 PolarHBondContact O-N 3.26Å; E97-R101 WeakPolarHBondContact O-CB 3.48Å; E97-R101 PolarHBondContact O-N 3.04Å |
| 98 | D | 81.3 | Confident | 71.8 | Confident | 40 Ų | 40 | 96.7 Ų | 96.7 | 21% | 0.214 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -67.8 | -41 | 178.3 | -65.5 | -46.4 | 0 | 0 | 0 | 111 | L94 K95 R101 V102 | L94-D98 HydrophobicContact CD2-CB 4.23Å; K95-D98 WeakPolarHBondContact CB-OD2 3.29Å; K95-D98 PolarHBondContact N-OD2 2.91Å; K95-D98 WeakPolarHBondContact O-CA 3.48Å; K95-D98 WeakPolarHBondContact O-CB 3.41Å; K95-D98 PolarHBondContact O-N 2.69Å; D98-R101 PolarHBondContact O-N 3.16Å; D98-R101 IonicContact OD1-CZ 3.24Å; D98-R101 VanDerWaalsContact OD1-CZ 3.24Å; D98-R101 IonicContact OD1-NH1 2.83Å; D98-R101 PolarHBondContact OD1-NH1 3.01Å; D98-R101 IonicContact OD1-NH2 2.77Å; D98-R101 PolarHBondContact OD1-NH2 3.02Å; D98-V102 WeakPolarHBondContact O-CG2 3.37Å; D98-V102 PolarHBondContact O-N 3.31Å |
| 99 | V | 81.3 | Confident | 73.5 | Confident | 43 Ų | 43 | 92.6 Ų | 92.6 | 26% | 0.261 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 175.6 | -173.1 | 0 | 0 | 0 | 0 | 110.6 | L94 K95 E96 R101 V102 L103 L128 | L94-V99 HydrophobicContact CB-CG2 3.78Å; L94-V99 HydrophobicContact CD1-CG2 4.38Å; K95-V99 PolarHBondContact O-N 3.48Å; K95-V99 VanDerWaalsContact O-N 3.16Å; E96-V99 PolarHBondContact O-N 3.29Å; V99-R101 VanDerWaalsContact C-N 3.29Å; V99-R101 PolarHBondContact O-N 3.46Å; V99-V102 PolarHBondContact O-N 2.94Å; V99-L103 HydrophobicContact CG1-CD1 4.24Å; V99-L103 WeakPolarHBondContact O-CG 3.37Å; V99-L103 PolarHBondContact O-N 2.83Å; V99-L128 HydrophobicContact CB-CD2 4.31Å; V99-L128 HydrophobicContact CG1-CD1 4.26Å; V99-L128 HydrophobicContact CG1-CD2 3.92Å |
| 100 | G | 83.1 | Confident | 75.3 | Confident | 33 Ų | 33 | 85.3 Ų | 85.3 | 34% | 0.34 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59 | -40.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E96 E97 L103 A104 | E96-G100 PolarHBondContact O-N 3.42Å; E97-G100 PolarHBondContact O-N 3.26Å; G100-L103 PolarHBondContact O-N 3.01Å; G100-A104 PolarHBondContact O-N 2.95Å |
| 101 | R | 85.7 | Confident | 77.2 | Confident | 122 Ų | 122 | 80 Ų | 80 | 46% | 0.46 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65 | -45 | 175.6 | -174.1 | 175.3 | 66.1 | -114.9 | -3.7 | 112.2 | E97 D98 V99 A104 Q105 | E97-R101 WeakPolarHBondContact O-CB 3.48Å; E97-R101 PolarHBondContact O-N 3.04Å; D98-R101 PolarHBondContact O-N 3.16Å; D98-R101 IonicContact OD1-CZ 3.24Å; D98-R101 VanDerWaalsContact OD1-CZ 3.24Å; D98-R101 IonicContact OD1-NH1 2.83Å; D98-R101 PolarHBondContact OD1-NH1 3.01Å; D98-R101 IonicContact OD1-NH2 2.77Å; D98-R101 PolarHBondContact OD1-NH2 3.02Å; V99-R101 VanDerWaalsContact C-N 3.29Å; V99-R101 PolarHBondContact O-N 3.46Å; R101-A104 PolarHBondContact O-N 3.32Å; R101-Q105 WeakPolarHBondContact O-CG 3.47Å; R101-Q105 PolarHBondContact O-N 3.39Å |
| 102 | V | 86.3 | Confident | 78.9 | Confident | 51 Ų | 51 | 82.6 Ų | 82.6 | 31% | 0.309 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 177.4 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | I67 D98 V99 A104 Q105 L106 | I67-V102 HydrophobicContact CG2-CG1 4.26Å; D98-V102 WeakPolarHBondContact O-CG2 3.37Å; D98-V102 PolarHBondContact O-N 3.31Å; V99-V102 PolarHBondContact O-N 2.94Å; V102-A104 PolarHBondContact O-N 2.77Å; V102-Q105 PolarHBondContact O-N 3.37Å; V102-L106 WeakPolarHBondContact O-CB 3.44Å; V102-L106 PolarHBondContact O-N 2.89Å |
| 103 | L | 85.5 | Confident | 80.9 | Confident | 21 Ų | 21 | 83.4 Ų | 83.4 | 11% | 0.11 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62 | -41.5 | 175.9 | -77 | 171.5 | 0 | 0 | 0 | 112.1 | V99 G100 L106 K107 A124 E125 L128 | V99-L103 HydrophobicContact CG1-CD1 4.24Å; V99-L103 WeakPolarHBondContact O-CG 3.37Å; V99-L103 PolarHBondContact O-N 2.83Å; G100-L103 PolarHBondContact O-N 3.01Å; L103-L106 PolarHBondContact O-N 2.71Å; L103-K107 WeakPolarHBondContact O-CB 3.46Å; L103-K107 PolarHBondContact O-N 3.01Å; L103-A124 HydrophobicContact CD2-CB 3.74Å; L103-E125 HydrophobicContact CD1-CG 4.28Å; L103-L128 HydrophobicContact CD1-CB 4.42Å; L103-L128 HydrophobicContact CD1-CD2 3.66Å |
| 104 | A | 86.9 | Confident | 82.3 | Confident | 52 Ų | 52 | 76.7 Ų | 76.7 | 43% | 0.43 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | G100 R101 V102 K107 C108 | G100-A104 PolarHBondContact O-N 2.95Å; R101-A104 PolarHBondContact O-N 3.32Å; V102-A104 PolarHBondContact O-N 2.77Å; A104-K107 WeakPolarHBondContact O-CB 3.47Å; A104-K107 PolarHBondContact O-N 3.21Å; A104-C108 PolarHBondContact O-N 2.79Å; A104-C108 VanDerWaalsContact O-N 3.1Å |
| 105 | Q | 87.7 | Confident | 83.7 | Confident | 124 Ų | 124 | 76.6 Ų | 76.6 | 58% | 0.579 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.2 | -44.6 | 174.8 | -72.3 | 177.1 | -34.8 | 0 | 0 | 111.6 | R101 V102 K107 C108 F109 | R101-Q105 WeakPolarHBondContact O-CG 3.47Å; R101-Q105 PolarHBondContact O-N 3.39Å; V102-Q105 PolarHBondContact O-N 3.37Å; Q105-K107 VanDerWaalsContact C-N 3.27Å; Q105-K107 PolarHBondContact O-N 3.43Å; Q105-C108 PolarHBondContact O-N 3.48Å; Q105-F109 PolarHBondContact O-N 3.48Å |
| 106 | L | 84 | Confident | 84.4 | Confident | 13 Ų | 13 | 78.1 Ų | 78.1 | 7% | 0.068 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.9 | -37 | 177.8 | -173.7 | 58.1 | 0 | 0 | 0 | 111.7 | Y63 V102 L103 F109 A110 M117 V121 | Y63-L106 HydrophobicContact CE1-CD1 3.62Å; V102-L106 WeakPolarHBondContact O-CB 3.44Å; V102-L106 PolarHBondContact O-N 2.89Å; L103-L106 PolarHBondContact O-N 2.71Å; L106-F109 PolarHBondContact O-N 2.93Å; L106-A110 VanDerWaalsContact O-CB 3.24Å; L106-A110 WeakPolarHBondContact O-CB 3.48Å; L106-A110 PolarHBondContact O-N 3.4Å; L106-M117 HydrophobicContact CD1-CE 4.08Å; L106-V121 HydrophobicContact CD2-CG2 3.85Å; L106-V121 HydrophobicContact CG-CG2 3.72Å |
| 107 | K | 87.3 | Confident | 85.3 | Confident | 93 Ų | 93 | 75 Ų | 75 | 40% | 0.404 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 175.7 | -164.8 | 174.9 | -160.8 | 151.3 | 0 | 112.2 | L103 A104 Q105 F109 A110 A111 L118 V121 E125 | L103-K107 WeakPolarHBondContact O-CB 3.46Å; L103-K107 PolarHBondContact O-N 3.01Å; A104-K107 WeakPolarHBondContact O-CB 3.47Å; A104-K107 PolarHBondContact O-N 3.21Å; Q105-K107 VanDerWaalsContact C-N 3.27Å; Q105-K107 PolarHBondContact O-N 3.43Å; K107-F109 VanDerWaalsContact C-N 3.34Å; K107-A110 PolarHBondContact O-N 2.82Å; K107-A111 VanDerWaalsContact O-CB 3.29Å; K107-A111 WeakPolarHBondContact O-CB 2.89Å; K107-A111 PolarHBondContact O-N 2.97Å; K107-L118 HydrophobicContact CG-CD2 4.26Å; K107-V121 HydrophobicContact CB-CG1 4.11Å; K107-V121 HydrophobicContact CG-CG1 4.44Å; K107-E125 IonicContact NZ-OE1 2.91Å; K107-E125 PolarHBondContact NZ-OE1 2.73Å; K107-E125 IonicContact NZ-OE2 2.95Å; K107-E125 PolarHBondContact NZ-OE2 2.79Å |
| 108 | C | 89.5 | Confident | 85.7 | Confident | 92 Ų | 92 | 71 Ų | 71 | 62% | 0.622 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.1 | -44.7 | 174.7 | -68.8 | 0 | 0 | 0 | 0 | 111.3 | A104 Q105 A111 E112 | A104-C108 PolarHBondContact O-N 2.79Å; A104-C108 VanDerWaalsContact O-N 3.1Å; Q105-C108 PolarHBondContact O-N 3.48Å; C108-A111 PolarHBondContact O-N 2.87Å; C108-E112 PolarHBondContact O-N 3.31Å; C108-E112 VanDerWaalsContact O-N 3.15Å |
| 109 | F | 84.1 | Confident | 86 | Confident | 75 Ų | 75 | 72.8 Ų | 72.8 | 33% | 0.329 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.6 | -47.2 | 177.8 | -179.6 | -93.6 | 0 | 0 | 0 | 112.2 | Q105 L106 K107 A111 E112 K113 | Q105-F109 PolarHBondContact O-N 3.48Å; L106-F109 PolarHBondContact O-N 2.93Å; K107-F109 VanDerWaalsContact C-N 3.34Å; F109-A111 VanDerWaalsContact C-N 3.35Å; F109-A111 PolarHBondContact O-N 3.16Å; F109-E112 PolarHBondContact O-N 2.9Å; F109-K113 HydrophobicContact CD1-CB 4.49Å; F109-K113 HydrophobicContact CD2-CG 3.93Å; F109-K113 HydrophobicContact CE1-CB 4.09Å; F109-K113 HydrophobicContact CE1-CG 4.4Å; F109-K113 HydrophobicContact CE2-CB 4.18Å; F109-K113 HydrophobicContact CE2-CG 3.59Å; F109-K113 HydrophobicContact CG-CG 4.48Å; F109-K113 HydrophobicContact CZ-CB 3.93Å; F109-K113 HydrophobicContact CZ-CG 3.85Å; F109-K113 WeakPolarHBondContact O-CB 3.37Å; F109-K113 PolarHBondContact O-N 3.36Å |
| 110 | A | 84.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L106 K107 E112 C114 P115 M117 L118 V121 | L106-A110 VanDerWaalsContact O-CB 3.24Å; L106-A110 WeakPolarHBondContact O-CB 3.48Å; L106-A110 PolarHBondContact O-N 3.4Å; K107-A110 PolarHBondContact O-N 2.82Å; A110-E112 VanDerWaalsContact C-N 3.25Å; A110-E112 PolarHBondContact O-N 2.97Å; A110-C114 CarbonylContact O-C 2.83Å; A110-C114 WeakPolarHBondContact O-CA 3.49Å; A110-C114 PolarHBondContact O-N 2.95Å; A110-C114 VanDerWaalsContact O-O 3.06Å; A110-P115 WeakPolarHBondContact O-CA 3.35Å; A110-M117 HydrophobicContact CB-CB 3.99Å; A110-L118 HydrophobicContact CB-CD2 3.79Å; A110-L118 HydrophobicContact CB-CG 4.19Å; A110-V121 HydrophobicContact CB-CG2 4.39Å |
| 111 | A | 83.8 | Confident | 86.2 | Confident | 59 Ų | 59 | 72.1 Ų | 72.1 | 49% | 0.488 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.2 | -33.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K107 C108 F109 L118 | K107-A111 VanDerWaalsContact O-CB 3.29Å; K107-A111 WeakPolarHBondContact O-CB 2.89Å; K107-A111 PolarHBondContact O-N 2.97Å; C108-A111 PolarHBondContact O-N 2.87Å; F109-A111 VanDerWaalsContact C-N 3.35Å; F109-A111 PolarHBondContact O-N 3.16Å; A111-L118 HydrophobicContact CB-CD2 4.29Å |
| 112 | E | 86.6 | Confident | 86.2 | Confident | 140 Ų | 140 | 68.3 Ų | 68.3 | 65% | 0.654 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -87 | -45.6 | -179.2 | -166.4 | -167.7 | 147 | 0 | 0 | 113.3 | C108 F109 A110 | C108-E112 PolarHBondContact O-N 3.31Å; C108-E112 VanDerWaalsContact O-N 3.15Å; F109-E112 PolarHBondContact O-N 2.9Å; A110-E112 VanDerWaalsContact C-N 3.25Å; A110-E112 PolarHBondContact O-N 2.97Å |
| 113 | K | 92.3 | Very high | 86.2 | Confident | 119 Ų | 119 | 71.2 Ų | 71.2 | 52% | 0.517 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -103.7 | -37.1 | -168.4 | -58.3 | -52.4 | -168.7 | -161.9 | 0 | 113.5 | F109 | F109-K113 HydrophobicContact CD1-CB 4.49Å; F109-K113 HydrophobicContact CD2-CG 3.93Å; F109-K113 HydrophobicContact CE1-CB 4.09Å; F109-K113 HydrophobicContact CE1-CG 4.4Å; F109-K113 HydrophobicContact CE2-CB 4.18Å; F109-K113 HydrophobicContact CE2-CG 3.59Å; F109-K113 HydrophobicContact CG-CG 4.48Å; F109-K113 HydrophobicContact CZ-CB 3.93Å; F109-K113 HydrophobicContact CZ-CG 3.85Å; F109-K113 WeakPolarHBondContact O-CB 3.37Å; F109-K113 PolarHBondContact O-N 3.36Å |
| 114 | C | 86.3 | Confident | 86 | Confident | 37 Ų | 37 | 72.1 Ų | 72.1 | 25% | 0.25 | 41% | 0.407 | C | S | . | . | trans | -143 | 71 | -169.6 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | A110 K116 M117 | A110-C114 CarbonylContact O-C 2.83Å; A110-C114 WeakPolarHBondContact O-CA 3.49Å; A110-C114 PolarHBondContact O-N 2.95Å; A110-C114 VanDerWaalsContact O-O 3.06Å; C114-K116 PolarHBondContact O-N 3.46Å; C114-M117 HydrophobicContact CB-CB 4.3Å; C114-M117 HydrophobicContact CB-CG 4.02Å; C114-M117 HydrophobicContact CB-SD 3.7Å; C114-M117 WeakPolarHBondContact O-CB 3.47Å; C114-M117 PolarHBondContact O-N 2.8Å | ||
| 115 | P | 85.9 | Confident | 85.8 | Confident | 82 Ų | 82 | 72.8 Ų | 72.8 | 53% | 0.532 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -57.2 | -26.5 | -176.1 | -27.9 | 35.7 | 0 | 0 | 0 | 113.7 | A110 M117 L118 | A110-P115 WeakPolarHBondContact O-CA 3.35Å; P115-M117 PolarHBondContact O-N 3.04Å; P115-L118 HydrophobicContact CB-CD1 4.4Å; P115-L118 VanDerWaalsContact O-CB 3.3Å; P115-L118 WeakPolarHBondContact O-CB 3.49Å; P115-L118 WeakPolarHBondContact O-CG 3.44Å; P115-L118 PolarHBondContact O-N 2.91Å; P115-L118 VanDerWaalsContact O-N 3.11Å |
| 116 | K | 88.2 | Confident | 85.7 | Confident | 176 Ų | 176 | 71.8 Ų | 71.8 | 77% | 0.765 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -58.7 | -29.3 | 173.3 | -63.7 | -176.7 | -180 | -179.6 | 0 | 113 | C114 L118 S119 | C114-K116 PolarHBondContact O-N 3.46Å; K116-L118 VanDerWaalsContact C-N 3.31Å; K116-L118 PolarHBondContact O-N 2.96Å; K116-S119 PolarHBondContact O-OG 2.87Å |
| 117 | M | 86.9 | Confident | 85.5 | Confident | 54 Ų | 54 | 74.6 Ų | 74.6 | 27% | 0.266 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -76.1 | -13.5 | 177.6 | -75.4 | 174.5 | 60.8 | 0 | 0 | 113.6 | L106 A110 C114 P115 S119 A120 V121 | L106-M117 HydrophobicContact CD1-CE 4.08Å; A110-M117 HydrophobicContact CB-CB 3.99Å; C114-M117 HydrophobicContact CB-CB 4.3Å; C114-M117 HydrophobicContact CB-CG 4.02Å; C114-M117 HydrophobicContact CB-SD 3.7Å; C114-M117 WeakPolarHBondContact O-CB 3.47Å; C114-M117 PolarHBondContact O-N 2.8Å; P115-M117 PolarHBondContact O-N 3.04Å; M117-S119 PolarHBondContact O-N 2.96Å; M117-S119 VanDerWaalsContact O-N 3.17Å; M117-A120 WeakPolarHBondContact O-CB 3.44Å; M117-A120 PolarHBondContact O-N 2.84Å; M117-V121 WeakPolarHBondContact O-CG2 3.42Å; M117-V121 PolarHBondContact O-N 3.18Å |
| 118 | L | 83 | Confident | 85 | Confident | 64 Ų | 64 | 72 Ų | 72 | 34% | 0.335 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.1 | -31.2 | -177.3 | -71.4 | 172.5 | 0 | 0 | 0 | 112.6 | K107 A110 A111 P115 K116 V121 A122 | K107-L118 HydrophobicContact CG-CD2 4.26Å; A110-L118 HydrophobicContact CB-CD2 3.79Å; A110-L118 HydrophobicContact CB-CG 4.19Å; A111-L118 HydrophobicContact CB-CD2 4.29Å; P115-L118 HydrophobicContact CB-CD1 4.4Å; P115-L118 VanDerWaalsContact O-CB 3.3Å; P115-L118 WeakPolarHBondContact O-CB 3.49Å; P115-L118 WeakPolarHBondContact O-CG 3.44Å; P115-L118 PolarHBondContact O-N 2.91Å; P115-L118 VanDerWaalsContact O-N 3.11Å; K116-L118 VanDerWaalsContact C-N 3.31Å; K116-L118 PolarHBondContact O-N 2.96Å; L118-V121 PolarHBondContact O-N 3.38Å; L118-A122 WeakPolarHBondContact O-CB 3.46Å; L118-A122 PolarHBondContact O-N 3.36Å |
| 119 | S | 87.1 | Confident | 84.5 | Confident | 78 Ų | 78 | 69.2 Ų | 69.2 | 55% | 0.545 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 174.3 | 59.6 | 0 | 0 | 0 | 0 | 111.9 | K116 M117 V121 A122 I123 | K116-S119 PolarHBondContact O-OG 2.87Å; M117-S119 PolarHBondContact O-N 2.96Å; M117-S119 VanDerWaalsContact O-N 3.17Å; S119-V121 VanDerWaalsContact C-N 3.32Å; S119-V121 PolarHBondContact O-N 3.44Å; S119-A122 PolarHBondContact O-N 3.35Å; S119-I123 WeakPolarHBondContact O-CG1 3.44Å; S119-I123 PolarHBondContact O-N 3.03Å |
| 120 | A | 85 | Confident | 84.3 | Confident | 58 Ų | 58 | 68.6 Ų | 68.6 | 48% | 0.479 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | M117 I123 A124 | M117-A120 WeakPolarHBondContact O-CB 3.44Å; M117-A120 PolarHBondContact O-N 2.84Å; A120-I123 PolarHBondContact O-N 2.68Å; A120-A124 PolarHBondContact O-N 2.94Å |
| 121 | V | 83.2 | Confident | 83.7 | Confident | 4 Ų | 4 | 74.9 Ų | 74.9 | 2% | 0.024 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 174.9 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | L106 K107 A110 M117 L118 S119 I123 A124 E125 | L106-V121 HydrophobicContact CD2-CG2 3.85Å; L106-V121 HydrophobicContact CG-CG2 3.72Å; K107-V121 HydrophobicContact CB-CG1 4.11Å; K107-V121 HydrophobicContact CG-CG1 4.44Å; A110-V121 HydrophobicContact CB-CG2 4.39Å; M117-V121 WeakPolarHBondContact O-CG2 3.42Å; M117-V121 PolarHBondContact O-N 3.18Å; L118-V121 PolarHBondContact O-N 3.38Å; S119-V121 VanDerWaalsContact C-N 3.32Å; S119-V121 PolarHBondContact O-N 3.44Å; V121-I123 VanDerWaalsContact C-N 3.31Å; V121-I123 PolarHBondContact O-N 3.49Å; V121-A124 WeakPolarHBondContact O-CB 3.48Å; V121-A124 PolarHBondContact O-N 2.89Å; V121-A124 VanDerWaalsContact O-N 3.16Å; V121-E125 HydrophobicContact CG1-CG 4.46Å; V121-E125 WeakPolarHBondContact O-CG 3.48Å; V121-E125 PolarHBondContact O-N 2.97Å |
| 122 | A | 85.6 | Confident | 83.3 | Confident | 43 Ų | 43 | 73.6 Ų | 73.6 | 36% | 0.355 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.8 | -36.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L118 S119 E125 T126 | L118-A122 WeakPolarHBondContact O-CB 3.46Å; L118-A122 PolarHBondContact O-N 3.36Å; S119-A122 PolarHBondContact O-N 3.35Å; A122-E125 PolarHBondContact O-N 2.79Å; A122-T126 WeakPolarHBondContact O-CB 3.34Å; A122-T126 PolarHBondContact O-N 2.91Å; A122-T126 PolarHBondContact O-OG1 3.39Å |
| 123 | I | 87.2 | Confident | 82.5 | Confident | 111 Ų | 111 | 71.1 Ų | 71.1 | 57% | 0.569 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.7 | -43.6 | 173.7 | -66.5 | 164.9 | 0 | 0 | 0 | 110.5 | S119 A120 V121 T126 S127 | S119-I123 WeakPolarHBondContact O-CG1 3.44Å; S119-I123 PolarHBondContact O-N 3.03Å; A120-I123 PolarHBondContact O-N 2.68Å; V121-I123 VanDerWaalsContact C-N 3.31Å; V121-I123 PolarHBondContact O-N 3.49Å; I123-T126 PolarHBondContact O-N 3.29Å; I123-S127 WeakPolarHBondContact O-CB 3.28Å; I123-S127 PolarHBondContact O-N 2.98Å; I123-S127 PolarHBondContact O-OG 3.07Å |
| 124 | A | 81.8 | Confident | 81.5 | Confident | 40 Ų | 40 | 68 Ų | 68 | 33% | 0.331 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | L103 A120 V121 T126 S127 L128 | L103-A124 HydrophobicContact CD2-CB 3.74Å; A120-A124 PolarHBondContact O-N 2.94Å; V121-A124 WeakPolarHBondContact O-CB 3.48Å; V121-A124 PolarHBondContact O-N 2.89Å; V121-A124 VanDerWaalsContact O-N 3.16Å; A124-T126 PolarHBondContact O-N 3.27Å; A124-S127 PolarHBondContact O-N 2.92Å; A124-L128 WeakPolarHBondContact O-CB 3.05Å; A124-L128 PolarHBondContact O-N 2.95Å |
| 125 | E | 83.1 | Confident | 80.8 | Confident | 67 Ų | 67 | 72 Ų | 72 | 31% | 0.313 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 174.2 | -74.5 | 179.3 | 156.4 | 0 | 0 | 111.4 | L103 K107 V121 A122 S127 L128 G129 | L103-E125 HydrophobicContact CD1-CG 4.28Å; K107-E125 IonicContact NZ-OE1 2.91Å; K107-E125 PolarHBondContact NZ-OE1 2.73Å; K107-E125 IonicContact NZ-OE2 2.95Å; K107-E125 PolarHBondContact NZ-OE2 2.79Å; V121-E125 HydrophobicContact CG1-CG 4.46Å; V121-E125 WeakPolarHBondContact O-CG 3.48Å; V121-E125 PolarHBondContact O-N 2.97Å; A122-E125 PolarHBondContact O-N 2.79Å; E125-S127 PolarHBondContact O-N 3.46Å; E125-L128 PolarHBondContact O-N 3.24Å; E125-G129 PolarHBondContact O-N 2.87Å |
| 126 | T | 84.7 | Confident | 79.9 | Confident | 102 Ų | 102 | 75.5 Ų | 75.5 | 63% | 0.626 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.9 | -42.3 | 178.6 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | A122 I123 A124 G129 A130 | A122-T126 WeakPolarHBondContact O-CB 3.34Å; A122-T126 PolarHBondContact O-N 2.91Å; A122-T126 PolarHBondContact O-OG1 3.39Å; I123-T126 PolarHBondContact O-N 3.29Å; A124-T126 PolarHBondContact O-N 3.27Å; T126-G129 PolarHBondContact O-N 2.92Å; T126-A130 WeakPolarHBondContact O-CB 3.29Å; T126-A130 PolarHBondContact O-N 3.44Å |
| 127 | S | 80.2 | Confident | 78.7 | Confident | 73 Ų | 73 | 74.1 Ų | 74.1 | 51% | 0.51 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 178.7 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | I123 A124 E125 A130 Y131 | I123-S127 WeakPolarHBondContact O-CB 3.28Å; I123-S127 PolarHBondContact O-N 2.98Å; I123-S127 PolarHBondContact O-OG 3.07Å; A124-S127 PolarHBondContact O-N 2.92Å; E125-S127 PolarHBondContact O-N 3.46Å; S127-A130 PolarHBondContact O-N 3.38Å; S127-Y131 WeakPolarHBondContact O-CB 3.29Å; S127-Y131 PolarHBondContact O-N 3.15Å |
| 128 | L | 77.1 | Confident | 77.4 | Confident | 38 Ų | 38 | 76.3 Ų | 76.3 | 20% | 0.199 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 173.9 | -178.2 | 63.7 | 0 | 0 | 0 | 111 | V99 L103 A124 E125 A130 Y131 V132 | V99-L128 HydrophobicContact CB-CD2 4.31Å; V99-L128 HydrophobicContact CG1-CD1 4.26Å; V99-L128 HydrophobicContact CG1-CD2 3.92Å; L103-L128 HydrophobicContact CD1-CB 4.42Å; L103-L128 HydrophobicContact CD1-CD2 3.66Å; A124-L128 WeakPolarHBondContact O-CB 3.05Å; A124-L128 PolarHBondContact O-N 2.95Å; E125-L128 PolarHBondContact O-N 3.24Å; L128-A130 VanDerWaalsContact C-N 3.31Å; L128-A130 PolarHBondContact O-N 3.44Å; L128-Y131 PolarHBondContact O-N 2.94Å; L128-V132 HydrophobicContact CD1-CG2 4.27Å; L128-V132 HydrophobicContact CG-CG2 4.44Å; L128-V132 VanDerWaalsContact O-CG2 3.29Å; L128-V132 WeakPolarHBondContact O-CG2 3.49Å; L128-V132 PolarHBondContact O-N 2.98Å |
| 129 | G | 78.7 | Confident | 76.2 | Confident | 34 Ų | 34 | 78 Ų | 78 | 35% | 0.351 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.1 | -41.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E125 T126 C133 | E125-G129 PolarHBondContact O-N 2.87Å; T126-G129 PolarHBondContact O-N 2.92Å; G129-C133 WeakPolarHBondContact O-CB 3.45Å; G129-C133 PolarHBondContact O-N 2.96Å; G129-C133 PolarHBondContact O-SG 2.67Å |
| 130 | A | 78.3 | Confident | 74.8 | Confident | 62 Ų | 62 | 77.6 Ų | 77.6 | 51% | 0.512 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T126 S127 L128 C133 S134 | T126-A130 WeakPolarHBondContact O-CB 3.29Å; T126-A130 PolarHBondContact O-N 3.44Å; S127-A130 PolarHBondContact O-N 3.38Å; L128-A130 VanDerWaalsContact C-N 3.31Å; L128-A130 PolarHBondContact O-N 3.44Å; A130-C133 PolarHBondContact O-N 2.92Å; A130-S134 WeakPolarHBondContact O-CB 3.49Å; A130-S134 PolarHBondContact O-N 3.28Å |
| 131 | Y | 72.8 | Confident | 73.6 | Confident | 132 Ų | 132 | 83 Ų | 83 | 52% | 0.518 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.1 | -47 | 176.5 | 173.3 | -105 | 0 | 0 | 0 | 112 | S127 L128 S134 K135 | S127-Y131 WeakPolarHBondContact O-CB 3.29Å; S127-Y131 PolarHBondContact O-N 3.15Å; L128-Y131 PolarHBondContact O-N 2.94Å; Y131-S134 WeakPolarHBondContact O-CB 3.34Å; Y131-S134 PolarHBondContact O-N 3.39Å; Y131-K135 HydrophobicContact CE1-CD 4.32Å; Y131-K135 HydrophobicContact CE1-CG 4.39Å; Y131-K135 HydrophobicContact CE2-CG 4.24Å; Y131-K135 VanDerWaalsContact CZ-CE 3.48Å; Y131-K135 PolarHBondContact O-N 3.04Å; Y131-K135 WeakPolarHBondContact OH-CE 3.49Å; Y131-K135 PolarHBondContact OH-NZ 3.13Å |
| 132 | V | 74.7 | Confident | 72 | Confident | 32 Ų | 32 | 86.7 Ų | 86.7 | 19% | 0.194 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 178.3 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | E96 L128 S134 K135 K136 | E96-V132 HydrophobicContact CG-CG2 3.75Å; E96-V132 VanDerWaalsContact OE1-CG1 3.29Å; E96-V132 WeakPolarHBondContact OE1-CG1 3.46Å; E96-V132 VanDerWaalsContact OE1-CG2 3.28Å; E96-V132 WeakPolarHBondContact OE1-CG2 3.48Å; L128-V132 HydrophobicContact CD1-CG2 4.27Å; L128-V132 HydrophobicContact CG-CG2 4.44Å; L128-V132 VanDerWaalsContact O-CG2 3.29Å; L128-V132 WeakPolarHBondContact O-CG2 3.49Å; L128-V132 PolarHBondContact O-N 2.98Å; V132-S134 VanDerWaalsContact C-N 3.3Å; V132-S134 PolarHBondContact O-N 2.81Å; V132-K135 PolarHBondContact O-N 3.27Å; V132-K136 WeakPolarHBondContact O-CB 3.34Å; V132-K136 PolarHBondContact O-N 2.9Å |
| 133 | C | 71.3 | Confident | 70.7 | Confident | 87 Ų | 87 | 88.6 Ų | 88.6 | 59% | 0.588 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -58.3 | -43.2 | 175.1 | -72.6 | 0 | 0 | 0 | 0 | 111.9 | G129 A130 K136 K137 | G129-C133 WeakPolarHBondContact O-CB 3.45Å; G129-C133 PolarHBondContact O-N 2.96Å; G129-C133 PolarHBondContact O-SG 2.67Å; A130-C133 PolarHBondContact O-N 2.92Å; C133-K136 PolarHBondContact O-N 3.06Å; C133-K137 PolarHBondContact O-N 3.02Å |
| 134 | S | 70.3 | Confident | 69.7 | Low | 55 Ų | 55 | 87.2 Ų | 87.2 | 39% | 0.385 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 177 | -170.7 | 0 | 0 | 0 | 0 | 111.4 | A130 Y131 V132 K136 K137 H138 | A130-S134 WeakPolarHBondContact O-CB 3.49Å; A130-S134 PolarHBondContact O-N 3.28Å; Y131-S134 WeakPolarHBondContact O-CB 3.34Å; Y131-S134 PolarHBondContact O-N 3.39Å; V132-S134 VanDerWaalsContact C-N 3.3Å; V132-S134 PolarHBondContact O-N 2.81Å; S134-K136 VanDerWaalsContact C-N 3.34Å; S134-K136 PolarHBondContact O-N 3.39Å; S134-K137 WeakPolarHBondContact O-CB 3.21Å; S134-K137 PolarHBondContact O-N 3.18Å; S134-K137 VanDerWaalsContact O-N 3.15Å; S134-H138 PolarHBondContact O-CD2 2.96Å; S134-H138 PolarHBondContact O-N 3.16Å |
| 135 | K | 72.5 | Confident | 68.6 | Low | 121 Ų | 121 | 91 Ų | 91 | 53% | 0.526 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.1 | -43.8 | 176 | -83.3 | -135.3 | 168.3 | 168.3 | 0 | 112.5 | Y131 V132 K137 H138 Q139 | Y131-K135 HydrophobicContact CE1-CD 4.32Å; Y131-K135 HydrophobicContact CE1-CG 4.39Å; Y131-K135 HydrophobicContact CE2-CG 4.24Å; Y131-K135 VanDerWaalsContact CZ-CE 3.48Å; Y131-K135 PolarHBondContact O-N 3.04Å; Y131-K135 WeakPolarHBondContact OH-CE 3.49Å; Y131-K135 PolarHBondContact OH-NZ 3.13Å; V132-K135 PolarHBondContact O-N 3.27Å; K135-K137 VanDerWaalsContact C-N 3.34Å; K135-K137 PolarHBondContact O-N 3.47Å; K135-H138 PolarHBondContact O-N 3.08Å; K135-Q139 WeakPolarHBondContact O-CB 3.4Å; K135-Q139 PolarHBondContact O-N 3.46Å |
| 136 | K | 65.7 | Low | 67.7 | Low | 155 Ų | 155 | 93.7 Ų | 93.7 | 67% | 0.674 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.9 | -41.2 | 176.9 | -167.8 | 172.2 | -177.5 | 170 | 0 | 111.8 | V132 C133 S134 Q139 T140 | V132-K136 WeakPolarHBondContact O-CB 3.34Å; V132-K136 PolarHBondContact O-N 2.9Å; C133-K136 PolarHBondContact O-N 3.06Å; S134-K136 VanDerWaalsContact C-N 3.34Å; S134-K136 PolarHBondContact O-N 3.39Å; K136-Q139 PolarHBondContact O-N 2.9Å; K136-T140 PolarHBondContact O-N 2.99Å; K136-T140 PolarHBondContact O-OG1 2.73Å |
| 137 | K | 63.9 | Low | 67 | Low | 147 Ų | 147 | 92.3 Ų | 92.3 | 64% | 0.639 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.8 | -40.7 | 175.5 | -172.1 | 177.3 | -177.4 | 175.8 | 0 | 112.3 | C133 S134 K135 R141 | C133-K137 PolarHBondContact O-N 3.02Å; S134-K137 WeakPolarHBondContact O-CB 3.21Å; S134-K137 PolarHBondContact O-N 3.18Å; S134-K137 VanDerWaalsContact O-N 3.15Å; K135-K137 VanDerWaalsContact C-N 3.34Å; K135-K137 PolarHBondContact O-N 3.47Å; K137-R141 WeakPolarHBondContact O-CG 3.42Å; K137-R141 PolarHBondContact O-N 3.3Å; K137-R141 VanDerWaalsContact O-N 3.16Å |
| 138 | H | 60 | Low | 66.7 | Low | 99 Ų | 99 | 96.4 Ų | 96.4 | 46% | 0.458 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.6 | -43 | 175.3 | -74.3 | -66.6 | 0 | 0 | 0 | 111.9 | S134 K135 T140 R141 I142 | S134-H138 PolarHBondContact O-CD2 2.96Å; S134-H138 PolarHBondContact O-N 3.16Å; K135-H138 PolarHBondContact O-N 3.08Å; H138-T140 PolarHBondContact O-N 3.01Å; H138-R141 PolarHBondContact O-N 3.24Å; H138-I142 WeakPolarHBondContact O-CG1 3.39Å; H138-I142 PolarHBondContact O-N 3.06Å; H138-I142 VanDerWaalsContact O-N 3.08Å |
| 139 | Q | 56.7 | Low | 66.2 | Low | 100 Ų | 100 | 100.6 Ų | 100.6 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.1 | -47.5 | 175.3 | -171.2 | 60.3 | 53.3 | 0 | 0 | 111.2 | K135 K136 R141 I142 D143 | K135-Q139 WeakPolarHBondContact O-CB 3.4Å; K135-Q139 PolarHBondContact O-N 3.46Å; K136-Q139 PolarHBondContact O-N 2.9Å; Q139-R141 VanDerWaalsContact C-N 3.29Å; Q139-R141 PolarHBondContact O-N 2.73Å; Q139-I142 WeakPolarHBondContact O-CB 3.28Å; Q139-I142 PolarHBondContact O-N 2.77Å; Q139-D143 PolarHBondContact NE2-OD1 3.37Å; Q139-D143 PolarHBondContact O-N 3.46Å |
| 140 | T | 57.8 | Low | 65.2 | Low | 69 Ų | 69 | 103.9 Ų | 103.9 | 42% | 0.423 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59 | -37.6 | 176.7 | -55.7 | 0 | 0 | 0 | 0 | 112.5 | K136 H138 D143 I144 | K136-T140 PolarHBondContact O-N 2.99Å; K136-T140 PolarHBondContact O-OG1 2.73Å; H138-T140 PolarHBondContact O-N 3.01Å; T140-D143 PolarHBondContact O-N 3.04Å; T140-I144 HydrophobicContact CG2-CD1 3.88Å; T140-I144 HydrophobicContact CG2-CG1 4.44Å; T140-I144 WeakPolarHBondContact O-CB 3.26Å; T140-I144 WeakPolarHBondContact O-CD1 3.2Å; T140-I144 WeakPolarHBondContact O-CG1 3.48Å; T140-I144 PolarHBondContact O-N 3.47Å |
| 141 | R | 59.5 | Low | 64.1 | Low | 172 Ų | 172 | 105.2 Ų | 105.2 | 65% | 0.649 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.1 | -38.3 | 176 | -74.6 | 177.7 | 76.4 | -178.2 | 4 | 112.2 | K137 H138 Q139 F145 | K137-R141 WeakPolarHBondContact O-CG 3.42Å; K137-R141 PolarHBondContact O-N 3.3Å; K137-R141 VanDerWaalsContact O-N 3.16Å; H138-R141 PolarHBondContact O-N 3.24Å; Q139-R141 VanDerWaalsContact C-N 3.29Å; Q139-R141 PolarHBondContact O-N 2.73Å; R141-F145 PolarHBondContact O-N 3.1Å |
| 142 | I | 51.1 | Low | 63.2 | Low | 82 Ų | 82 | 108.1 Ų | 108.1 | 42% | 0.421 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.4 | -46 | 176.4 | -66.5 | 168.1 | 0 | 0 | 0 | 109.9 | H138 Q139 I144 F145 F146 | H138-I142 WeakPolarHBondContact O-CG1 3.39Å; H138-I142 PolarHBondContact O-N 3.06Å; H138-I142 VanDerWaalsContact O-N 3.08Å; Q139-I142 WeakPolarHBondContact O-CB 3.28Å; Q139-I142 PolarHBondContact O-N 2.77Å; I142-I144 VanDerWaalsContact C-N 3.33Å; I142-I144 PolarHBondContact O-N 2.67Å; I142-F145 WeakPolarHBondContact O-CB 3.47Å; I142-F145 PolarHBondContact O-N 2.8Å; I142-F146 HydrophobicContact CG2-CD2 3.67Å; I142-F146 HydrophobicContact CG2-CE2 3.46Å; I142-F146 VanDerWaalsContact CG2-CE2 3.46Å; I142-F146 VanDerWaalsContact O-CD2 3.28Å; I142-F146 WeakPolarHBondContact O-CD2 3.3Å; I142-F146 PolarHBondContact O-N 2.75Å |
| 143 | D | 56.5 | Low | 62.6 | Low | 83 Ų | 83 | 111.9 Ų | 111.9 | 44% | 0.444 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62 | -40.3 | 178.3 | -58.9 | -22 | 0 | 0 | 0 | 111.6 | Q139 T140 F145 F146 S147 | Q139-D143 PolarHBondContact NE2-OD1 3.37Å; Q139-D143 PolarHBondContact O-N 3.46Å; T140-D143 PolarHBondContact O-N 3.04Å; D143-F145 VanDerWaalsContact C-N 3.33Å; D143-F145 PolarHBondContact O-N 2.96Å; D143-F146 PolarHBondContact O-N 2.77Å; D143-S147 WeakPolarHBondContact O-CB 3.35Å; D143-S147 PolarHBondContact O-N 3.24Å; D143-S147 PolarHBondContact O-OG 3.49Å |
| 144 | I | 68.1 | Low | 62.1 | Low | 81 Ų | 81 | 113.2 Ų | 113.2 | 42% | 0.415 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64 | -38 | 173.9 | -69.1 | 167 | 0 | 0 | 0 | 111.3 | T140 I142 S147 K148 | T140-I144 HydrophobicContact CG2-CD1 3.88Å; T140-I144 HydrophobicContact CG2-CG1 4.44Å; T140-I144 WeakPolarHBondContact O-CB 3.26Å; T140-I144 WeakPolarHBondContact O-CD1 3.2Å; T140-I144 WeakPolarHBondContact O-CG1 3.48Å; T140-I144 PolarHBondContact O-N 3.47Å; I142-I144 VanDerWaalsContact C-N 3.33Å; I142-I144 PolarHBondContact O-N 2.67Å; I144-S147 VanDerWaalsContact CA-OG 3.26Å; I144-S147 WeakPolarHBondContact CA-OG 3.45Å; I144-S147 PolarHBondContact O-OG 3.04Å; I144-K148 HydrophobicContact CG2-CD 4.26Å; I144-K148 WeakPolarHBondContact O-CG 3.4Å; I144-K148 PolarHBondContact O-N 2.95Å; I144-K148 VanDerWaalsContact O-N 3.1Å |
| 145 | F | 56.9 | Low | 61.7 | Low | 120 Ų | 120 | 116.4 Ų | 116.4 | 53% | 0.526 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64 | -49.8 | 177.2 | -176 | -96.8 | 0 | 0 | 0 | 111 | R141 I142 D143 S147 K148 Q149 | R141-F145 PolarHBondContact O-N 3.1Å; I142-F145 WeakPolarHBondContact O-CB 3.47Å; I142-F145 PolarHBondContact O-N 2.8Å; D143-F145 VanDerWaalsContact C-N 3.33Å; D143-F145 PolarHBondContact O-N 2.96Å; F145-S147 PolarHBondContact O-N 2.92Å; F145-K148 PolarHBondContact O-N 2.92Å; F145-Q149 HydrophobicContact CD1-CG 4.14Å; F145-Q149 HydrophobicContact CE1-CG 3.84Å; F145-Q149 HydrophobicContact CZ-CG 4.04Å; F145-Q149 VanDerWaalsContact O-CG 3.3Å; F145-Q149 WeakPolarHBondContact O-CG 3.36Å; F145-Q149 PolarHBondContact O-N 2.91Å |
| 146 | F | 65.7 | Low | 61 | Low | 123 Ų | 123 | 116.2 Ų | 116.2 | 54% | 0.539 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.8 | -40.5 | 178.7 | -74.8 | -67.5 | 0 | 0 | 0 | 112.9 | I142 D143 K148 Q149 C150 | I142-F146 HydrophobicContact CG2-CD2 3.67Å; I142-F146 HydrophobicContact CG2-CE2 3.46Å; I142-F146 VanDerWaalsContact CG2-CE2 3.46Å; I142-F146 VanDerWaalsContact O-CD2 3.28Å; I142-F146 WeakPolarHBondContact O-CD2 3.3Å; I142-F146 PolarHBondContact O-N 2.75Å; D143-F146 PolarHBondContact O-N 2.77Å; F146-K148 VanDerWaalsContact C-N 3.27Å; F146-K148 PolarHBondContact O-N 3.16Å; F146-Q149 PolarHBondContact O-N 3.34Å; F146-Q149 VanDerWaalsContact O-N 3.16Å; F146-C150 WeakPolarHBondContact O-CB 3.29Å; F146-C150 PolarHBondContact O-N 2.85Å |
| 147 | S | 68.4 | Low | 60.8 | Low | 74 Ų | 74 | 113.8 Ų | 113.8 | 52% | 0.517 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.4 | -30.8 | 175.6 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | D143 I144 F145 | D143-S147 WeakPolarHBondContact O-CB 3.35Å; D143-S147 PolarHBondContact O-N 3.24Å; D143-S147 PolarHBondContact O-OG 3.49Å; I144-S147 VanDerWaalsContact CA-OG 3.26Å; I144-S147 WeakPolarHBondContact CA-OG 3.45Å; I144-S147 PolarHBondContact O-OG 3.04Å; F145-S147 PolarHBondContact O-N 2.92Å |
| 148 | K | 73.8 | Confident | 60.5 | Low | 159 Ų | 159 | 111.5 Ų | 111.5 | 69% | 0.691 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -74.4 | -35.2 | 172.2 | -74.9 | -178.5 | 178.5 | -176.5 | 0 | 113.1 | I144 F145 F146 | I144-K148 HydrophobicContact CG2-CD 4.26Å; I144-K148 WeakPolarHBondContact O-CG 3.4Å; I144-K148 PolarHBondContact O-N 2.95Å; I144-K148 VanDerWaalsContact O-N 3.1Å; F145-K148 PolarHBondContact O-N 2.92Å; F146-K148 VanDerWaalsContact C-N 3.27Å; F146-K148 PolarHBondContact O-N 3.16Å |
| 149 | Q | 68.3 | Low | 60.6 | Low | 125 Ų | 125 | 112.4 Ų | 112.4 | 58% | 0.584 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -78.7 | -26.7 | 179 | -62.6 | -66.2 | -8.9 | 0 | 0 | 112.9 | F145 F146 | F145-Q149 HydrophobicContact CD1-CG 4.14Å; F145-Q149 HydrophobicContact CE1-CG 3.84Å; F145-Q149 HydrophobicContact CZ-CG 4.04Å; F145-Q149 VanDerWaalsContact O-CG 3.3Å; F145-Q149 WeakPolarHBondContact O-CG 3.36Å; F145-Q149 PolarHBondContact O-N 2.91Å; F146-Q149 PolarHBondContact O-N 3.34Å; F146-Q149 VanDerWaalsContact O-N 3.16Å |
| 150 | C | 57.4 | Low | 60.9 | Low | 103 Ų | 103 | 113.4 Ų | 113.4 | 70% | 0.696 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 5.2 | 177.5 | -73.9 | 0 | 0 | 0 | 0 | 113.9 | F146 P152 | F146-C150 WeakPolarHBondContact O-CB 3.29Å; F146-C150 PolarHBondContact O-N 2.85Å; C150-P152 WeakPolarHBondContact O-CD 3.39Å |
| 151 | S | 54.8 | Low | 61.1 | Low | 90 Ų | 90 | 117.1 Ų | 117.1 | 63% | 0.629 | 61% | 0.614 | S | S | * | * | trans | -77 | 117.9 | 170.4 | -140.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 152 | P | 53.3 | Low | 61.3 | Low | 193 Ų | 193 | 112.1 Ų | 112.1 | 100% | 1.253 | 61% | 0.611 | S | S | * | * | trans | -67.2 | 0 | -174.8 | 27.1 | -33.7 | 0 | 0 | 0 | 114 | C150 | C150-P152 WeakPolarHBondContact O-CD 3.39Š|
Retrieved 152 of 152 residues in 23.7 ms
(Link to these results)