| 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 | 47.4 | Very low | 60 | Low | 241 Ų | 241 | 136.1 Ų | 136.1 | 100% | 1.187 | 69% | 0.693 | S | S | * | * | 0 | 75.1 | 0 | -68.3 | -172.6 | -71.7 | 0 | 0 | 106 | |||||
| 2 | G | 51.9 | Low | 59.9 | Low | 32 Ų | 32 | 137.5 Ų | 137.5 | 33% | 0.33 | 70% | 0.695 | S | S | . | * | trans | -95.5 | 137.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | E4 D5 | G2-E4 PolarHBondContact O-N 2.94Å; G2-D5 PolarHBondContact O-N 3.11Å | ||
| 3 | L | 67.1 | Low | 59.7 | Low | 142 Ų | 142 | 132.7 Ų | 132.7 | 74% | 0.743 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -50.2 | -21.2 | 171 | -74.7 | 154.5 | 0 | 0 | 0 | 112.8 | Q7 | L3-Q7 WeakPolarHBondContact O-CB 3.44Å; L3-Q7 PolarHBondContact O-N 2.96Å; L3-Q7 VanDerWaalsContact O-N 3.11Å |
| 4 | E | 67.9 | Low | 59.6 | Low | 163 Ų | 163 | 125.8 Ų | 125.8 | 76% | 0.762 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65.4 | -33.1 | 175.9 | -58.2 | 173.7 | 173.3 | 0 | 0 | 112.8 | G2 K8 | G2-E4 PolarHBondContact O-N 2.94Å; E4-K8 WeakPolarHBondContact O-CB 3.42Å; E4-K8 PolarHBondContact O-N 3.25Å; E4-K8 VanDerWaalsContact O-N 3.15Å |
| 5 | D | 65.9 | Low | 59.5 | Low | 114 Ų | 114 | 123.1 Ų | 123.1 | 61% | 0.61 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -75.8 | -36.8 | 179.2 | -65.3 | -40.8 | 0 | 0 | 0 | 111.7 | G2 M9 | G2-D5 PolarHBondContact O-N 3.11Å; D5-M9 WeakPolarHBondContact O-CG 3.39Å; D5-M9 PolarHBondContact O-N 3.32Å |
| 6 | E | 62 | Low | 60.1 | Low | 137 Ų | 137 | 120.5 Ų | 120.5 | 64% | 0.64 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.2 | -39.4 | 172.9 | -84.2 | -173.4 | 100.6 | 0 | 0 | 111.6 | K8 M9 L10 | E6-K8 VanDerWaalsContact C-N 3.29Å; E6-K8 PolarHBondContact O-N 3.35Å; E6-M9 PolarHBondContact O-N 3.43Å; E6-L10 PolarHBondContact O-N 3.15Å |
| 7 | Q | 61.1 | Low | 60.6 | Low | 137 Ų | 137 | 121.3 Ų | 121.3 | 64% | 0.64 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.4 | -30.6 | 179.6 | -164.6 | 149 | 32.8 | 0 | 0 | 112.3 | L3 T11 | L3-Q7 WeakPolarHBondContact O-CB 3.44Å; L3-Q7 PolarHBondContact O-N 2.96Å; L3-Q7 VanDerWaalsContact O-N 3.11Å; Q7-T11 WeakPolarHBondContact O-CG2 3.48Å; Q7-T11 PolarHBondContact O-N 3.19Å; Q7-T11 PolarHBondContact O-OG1 3.38Å |
| 8 | K | 61.1 | Low | 61 | Low | 139 Ų | 139 | 121.3 Ų | 121.3 | 60% | 0.604 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.8 | -36 | 175.6 | -152.9 | -177.8 | -176.3 | -152 | 0 | 112.9 | E4 E6 T11 E12 | E4-K8 WeakPolarHBondContact O-CB 3.42Å; E4-K8 PolarHBondContact O-N 3.25Å; E4-K8 VanDerWaalsContact O-N 3.15Å; E6-K8 VanDerWaalsContact C-N 3.29Å; E6-K8 PolarHBondContact O-N 3.35Å; K8-T11 PolarHBondContact O-N 3.07Å; K8-T11 PolarHBondContact O-OG1 3.38Å; K8-E12 PolarHBondContact O-N 3.49Å |
| 9 | M | 58.2 | Low | 61.1 | Low | 150 Ų | 150 | 121.3 Ų | 121.3 | 74% | 0.739 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.7 | -35 | 175.7 | -70.4 | -101.5 | -69.1 | 0 | 0 | 112.4 | D5 E6 T11 E12 S13 | D5-M9 WeakPolarHBondContact O-CG 3.39Å; D5-M9 PolarHBondContact O-N 3.32Å; E6-M9 PolarHBondContact O-N 3.43Å; M9-T11 VanDerWaalsContact C-N 3.31Å; M9-E12 PolarHBondContact O-N 2.94Å; M9-S13 PolarHBondContact O-N 3.45Å |
| 10 | L | 58.9 | Low | 61.4 | Low | 133 Ų | 133 | 121.7 Ų | 121.7 | 70% | 0.696 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -75.3 | -17.7 | 177.9 | -76 | 165.3 | 0 | 0 | 0 | 113.9 | E6 S13 | E6-L10 PolarHBondContact O-N 3.15Å; L10-S13 PolarHBondContact O-OG 3.45Å; L10-S13 VanDerWaalsContact O-OG 3.07Å |
| 11 | T | 58.3 | Low | 61.6 | Low | 109 Ų | 109 | 122.3 Ų | 122.3 | 67% | 0.669 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -9.2 | 175.6 | 53.8 | 0 | 0 | 0 | 0 | 113.5 | Q7 K8 M9 | Q7-T11 WeakPolarHBondContact O-CG2 3.48Å; Q7-T11 PolarHBondContact O-N 3.19Å; Q7-T11 PolarHBondContact O-OG1 3.38Å; K8-T11 PolarHBondContact O-N 3.07Å; K8-T11 PolarHBondContact O-OG1 3.38Å; M9-T11 VanDerWaalsContact C-N 3.31Å |
| 12 | E | 58.6 | Low | 62.6 | Low | 153 Ų | 153 | 117.8 Ų | 117.8 | 72% | 0.715 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | -7.9 | -179.2 | -163.7 | 170.6 | 177.3 | 0 | 0 | 112.4 | K8 M9 G14 | K8-E12 PolarHBondContact O-N 3.49Å; M9-E12 PolarHBondContact O-N 2.94Å; E12-G14 PolarHBondContact O-N 3.46Å; E12-G14 VanDerWaalsContact O-N 3.14Å |
| 13 | S | 57.3 | Low | 63.3 | Low | 75 Ų | 75 | 123.6 Ų | 123.6 | 52% | 0.524 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -66.8 | 105.2 | 156.1 | 41.2 | 0 | 0 | 0 | 0 | 107.4 | M9 L10 | M9-S13 PolarHBondContact O-N 3.45Å; L10-S13 PolarHBondContact O-OG 3.45Å; L10-S13 VanDerWaalsContact O-OG 3.07Å |
| 14 | G | 58.2 | Low | 63.3 | Low | 36 Ų | 36 | 124.9 Ų | 124.9 | 37% | 0.371 | 63% | 0.626 | S | S | . | * | trans | -44.8 | 144.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | E12 P16 | E12-G14 PolarHBondContact O-N 3.46Å; E12-G14 VanDerWaalsContact O-N 3.14Å; G14-P16 WeakPolarHBondContact O-CD 3.31Å | ||
| 15 | D | 59 | Low | 63.6 | Low | 85 Ų | 85 | 125.1 Ų | 125.1 | 46% | 0.455 | 63% | 0.627 | S | S | . | * | trans | -58.4 | 123.2 | 175.8 | -156 | -30 | 0 | 0 | 0 | 107 | E17 E18 E19 | D15-E17 PolarHBondContact O-N 3.14Å; D15-E17 PolarHBondContact OD1-N 2.93Å; D15-E18 HydrophobicContact CB-CB 4.3Å; D15-E18 HydrophobicContact CB-CG 4.15Å; D15-E18 WeakPolarHBondContact O-CA 3.41Å; D15-E18 WeakPolarHBondContact O-CB 3.49Å; D15-E18 PolarHBondContact O-N 3.03Å; D15-E19 PolarHBondContact O-N 3.15Å; D15-E19 VanDerWaalsContact O-N 3.15Å | ||
| 16 | P | 68.2 | Low | 64.3 | Low | 82 Ų | 82 | 126.5 Ų | 126.5 | 53% | 0.532 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -53.6 | -26 | 176.7 | 19 | -32.1 | 0 | 0 | 0 | 112.1 | G14 E20 | G14-P16 WeakPolarHBondContact O-CD 3.31Å; P16-E20 WeakPolarHBondContact O-CB 3.47Å; P16-E20 WeakPolarHBondContact O-CG 3.44Å; P16-E20 PolarHBondContact O-N 2.81Å |
| 17 | E | 69.2 | Low | 65.4 | Low | 134 Ų | 134 | 124.6 Ų | 124.6 | 63% | 0.626 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.6 | -39.3 | 171.1 | -66.2 | -171.7 | 162 | 0 | 0 | 112.7 | D15 E21 | D15-E17 PolarHBondContact O-N 3.14Å; D15-E17 PolarHBondContact OD1-N 2.93Å; E17-E21 WeakPolarHBondContact O-CB 3.41Å; E17-E21 VanDerWaalsContact O-CG 3.31Å; E17-E21 WeakPolarHBondContact O-CG 3.41Å; E17-E21 PolarHBondContact O-N 3.41Å |
| 18 | E | 67.4 | Low | 66.8 | Low | 122 Ų | 122 | 121.7 Ų | 121.7 | 57% | 0.57 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -69 | -38.9 | 175.5 | -75 | -173.9 | 168.2 | 0 | 0 | 111.7 | D15 E21 E22 | D15-E18 HydrophobicContact CB-CB 4.3Å; D15-E18 HydrophobicContact CB-CG 4.15Å; D15-E18 WeakPolarHBondContact O-CA 3.41Å; D15-E18 WeakPolarHBondContact O-CB 3.49Å; D15-E18 PolarHBondContact O-N 3.03Å; E18-E21 PolarHBondContact O-N 2.93Å; E18-E22 WeakPolarHBondContact O-CG 3.33Å; E18-E22 PolarHBondContact O-N 2.97Å |
| 19 | E | 63.9 | Low | 68.3 | Low | 121 Ų | 121 | 117 Ų | 117 | 57% | 0.565 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.1 | -41.6 | 175 | -70.5 | -171.7 | 171.2 | 0 | 0 | 111.8 | D15 E22 E23 | D15-E19 PolarHBondContact O-N 3.15Å; D15-E19 VanDerWaalsContact O-N 3.15Å; E19-E22 PolarHBondContact O-N 3.37Å; E19-E23 PolarHBondContact O-N 3.2Å |
| 20 | E | 66.9 | Low | 70.1 | Confident | 129 Ų | 129 | 111.7 Ų | 111.7 | 60% | 0.603 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.4 | -41.5 | 173.8 | -75.9 | -178.1 | -176.2 | 0 | 0 | 111.5 | P16 E23 E24 | P16-E20 WeakPolarHBondContact O-CB 3.47Å; P16-E20 WeakPolarHBondContact O-CG 3.44Å; P16-E20 PolarHBondContact O-N 2.81Å; E20-E23 PolarHBondContact O-N 3.43Å; E20-E24 WeakPolarHBondContact O-CG 3.44Å; E20-E24 PolarHBondContact O-N 3.48Å |
| 21 | E | 65.6 | Low | 71.7 | Confident | 135 Ų | 135 | 108.2 Ų | 108.2 | 63% | 0.631 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.9 | -41 | 174.7 | -78.1 | -175.6 | -177.6 | 0 | 0 | 112.5 | E17 E18 E24 E25 | E17-E21 WeakPolarHBondContact O-CB 3.41Å; E17-E21 VanDerWaalsContact O-CG 3.31Å; E17-E21 WeakPolarHBondContact O-CG 3.41Å; E17-E21 PolarHBondContact O-N 3.41Å; E18-E21 PolarHBondContact O-N 2.93Å; E21-E24 PolarHBondContact O-N 3.01Å; E21-E25 PolarHBondContact O-N 3.39Å |
| 22 | E | 68.3 | Low | 73.4 | Confident | 146 Ų | 146 | 105.6 Ų | 105.6 | 68% | 0.682 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.8 | -37 | 175.1 | -76.1 | -170.5 | 177.6 | 0 | 0 | 112.3 | E18 E19 E25 L26 | E18-E22 WeakPolarHBondContact O-CG 3.33Å; E18-E22 PolarHBondContact O-N 2.97Å; E19-E22 PolarHBondContact O-N 3.37Å; E22-E25 PolarHBondContact O-N 2.94Å; E22-L26 PolarHBondContact O-N 3.22Å |
| 23 | E | 65.9 | Low | 75.2 | Confident | 153 Ų | 153 | 98.5 Ų | 98.5 | 72% | 0.715 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.9 | -36.8 | 174.1 | -74.5 | -167 | 174.5 | 0 | 0 | 112.4 | E19 E20 E25 L26 | E19-E23 PolarHBondContact O-N 3.2Å; E20-E23 PolarHBondContact O-N 3.43Å; E23-E25 VanDerWaalsContact C-N 3.3Å; E23-E25 PolarHBondContact O-N 3.32Å; E23-L26 PolarHBondContact O-N 3.29Å |
| 24 | E | 67.7 | Low | 77.1 | Confident | 170 Ų | 170 | 99.3 Ų | 99.3 | 79% | 0.794 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.5 | -31.8 | 175.3 | -76.7 | -168.6 | 175.4 | 0 | 0 | 112.7 | E20 E21 | E20-E24 WeakPolarHBondContact O-CG 3.44Å; E20-E24 PolarHBondContact O-N 3.48Å; E21-E24 PolarHBondContact O-N 3.01Å |
| 25 | E | 73.4 | Confident | 78.9 | Confident | 168 Ų | 168 | 103.6 Ų | 103.6 | 79% | 0.785 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -79.1 | -21.2 | 176 | -158.8 | 175.2 | -168.1 | 0 | 0 | 112.8 | E21 E22 E23 V27 | E21-E25 PolarHBondContact O-N 3.39Å; E22-E25 PolarHBondContact O-N 2.94Å; E23-E25 VanDerWaalsContact C-N 3.3Å; E23-E25 PolarHBondContact O-N 3.32Å; E25-V27 PolarHBondContact O-N 3.26Å |
| 26 | L | 81.2 | Confident | 80.6 | Confident | 143 Ų | 143 | 104 Ų | 104 | 75% | 0.749 | 51% | 0.514 | S | S | * | . | trans | -74.6 | 87.8 | -179.4 | -171.4 | 70.9 | 0 | 0 | 0 | 112 | E22 E23 D28 | E22-L26 PolarHBondContact O-N 3.22Å; E23-L26 PolarHBondContact O-N 3.29Å; L26-D28 PolarHBondContact O-N 2.93Å | ||
| 27 | V | 85.1 | Confident | 81.9 | Confident | 97 Ų | 97 | 100.1 Ų | 100.1 | 59% | 0.588 | 49% | 0.489 | S | S | * | . | trans | -68.8 | 118.3 | 173.9 | -176.8 | 0 | 0 | 0 | 0 | 111 | E25 P29 T32 | E25-V27 PolarHBondContact O-N 3.26Å; V27-P29 VanDerWaalsContact O-CD 3.31Å; V27-P29 WeakPolarHBondContact O-CD 3.31Å; V27-T32 WeakPolarHBondContact CG1-OG1 3.45Å | ||
| 28 | D | 90.5 | Very high | 83.2 | Confident | 76 Ų | 76 | 96.4 Ų | 96.4 | 41% | 0.406 | 47% | 0.472 | S | S | . | . | trans | -57.6 | 118.7 | 173.6 | 179.6 | 3 | 0 | 0 | 0 | 110.9 | L26 L30 T31 T32 | L26-D28 PolarHBondContact O-N 2.93Å; D28-L30 PolarHBondContact O-N 3.42Å; D28-L30 VanDerWaalsContact O-N 3.07Å; D28-L30 WeakPolarHBondContact OD1-CB 3.31Å; D28-L30 PolarHBondContact OD1-N 2.97Å; D28-L30 WeakPolarHBondContact OD2-CB 3.22Å; D28-T31 HydrophobicContact CB-CG2 4.15Å; D28-T31 PolarHBondContact O-N 2.81Å; D28-T31 VanDerWaalsContact O-N 3.14Å; D28-T31 PolarHBondContact O-OG1 3.49Å; D28-T32 PolarHBondContact O-N 3.5Å | ||
| 29 | P | 93.1 | Very high | 84.6 | Confident | 40 Ų | 40 | 98 Ų | 98 | 26% | 0.26 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.8 | -25.9 | 177 | -24.6 | 34.2 | 0 | 0 | 0 | 113.6 | V27 V33 N89 | V27-P29 VanDerWaalsContact O-CD 3.31Å; V27-P29 WeakPolarHBondContact O-CD 3.31Å; P29-V33 WeakPolarHBondContact O-CB 3.4Å; P29-V33 VanDerWaalsContact O-CG2 3.22Å; P29-V33 WeakPolarHBondContact O-CG2 3.48Å; P29-V33 PolarHBondContact O-N 3.07Å; P29-N89 HydrophobicContact CB-CB 3.51Å; P29-N89 HydrophobicContact CG-CB 4.13Å |
| 30 | L | 94.7 | Very high | 86.1 | Confident | 39 Ų | 39 | 96 Ų | 96 | 20% | 0.204 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 177.5 | 178.6 | 62.1 | 0 | 0 | 0 | 112.5 | D28 V33 R34 V82 L86 | D28-L30 PolarHBondContact O-N 3.42Å; D28-L30 VanDerWaalsContact O-N 3.07Å; D28-L30 WeakPolarHBondContact OD1-CB 3.31Å; D28-L30 PolarHBondContact OD1-N 2.97Å; D28-L30 WeakPolarHBondContact OD2-CB 3.22Å; L30-V33 PolarHBondContact O-N 3.14Å; L30-R34 HydrophobicContact CD1-CG 4.25Å; L30-R34 WeakPolarHBondContact O-CB 3.45Å; L30-R34 VanDerWaalsContact O-CG 3.25Å; L30-R34 WeakPolarHBondContact O-CG 3.49Å; L30-R34 PolarHBondContact O-N 2.96Å; L30-V82 HydrophobicContact CD1-CG1 3.96Å; L30-L86 HydrophobicContact CB-CD1 3.88Å; L30-L86 HydrophobicContact CD1-CD1 3.75Å; L30-L86 HydrophobicContact CD1-CD2 3.71Å; L30-L86 HydrophobicContact CD1-CG 4.34Å; L30-L86 HydrophobicContact CG-CD1 4.44Å |
| 31 | T | 94 | Very high | 87.5 | Confident | 60 Ų | 60 | 96.2 Ų | 96.2 | 37% | 0.368 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65 | -45.8 | 179.3 | 57.6 | 0 | 0 | 0 | 0 | 109.8 | D28 V33 R34 E35 | D28-T31 HydrophobicContact CB-CG2 4.15Å; D28-T31 PolarHBondContact O-N 2.81Å; D28-T31 VanDerWaalsContact O-N 3.14Å; D28-T31 PolarHBondContact O-OG1 3.49Å; T31-V33 PolarHBondContact O-N 2.85Å; T31-R34 PolarHBondContact O-N 2.96Å; T31-E35 WeakPolarHBondContact O-CG 3.35Å; T31-E35 PolarHBondContact O-N 3.21Å |
| 32 | T | 94.2 | Very high | 88.9 | Confident | 53 Ų | 53 | 97.8 Ų | 97.8 | 33% | 0.325 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57 | -48.6 | 176.1 | -58.3 | 0 | 0 | 0 | 0 | 112 | V27 D28 R34 E35 Q36 | V27-T32 WeakPolarHBondContact CG1-OG1 3.45Å; D28-T32 PolarHBondContact O-N 3.5Å; T32-R34 PolarHBondContact O-N 3.15Å; T32-E35 PolarHBondContact O-N 3.4Å; T32-Q36 VanDerWaalsContact O-CG 3.31Å; T32-Q36 WeakPolarHBondContact O-CG 3.48Å; T32-Q36 PolarHBondContact O-N 3.26Å; T32-Q36 VanDerWaalsContact O-N 3.15Å |
| 33 | V | 95.9 | Very high | 90.3 | Very high | 4 Ų | 4 | 90.9 Ų | 90.9 | 2% | 0.024 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -67.7 | -36.8 | -179.4 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | P29 L30 T31 Q36 C37 V82 K85 | P29-V33 WeakPolarHBondContact O-CB 3.4Å; P29-V33 VanDerWaalsContact O-CG2 3.22Å; P29-V33 WeakPolarHBondContact O-CG2 3.48Å; P29-V33 PolarHBondContact O-N 3.07Å; L30-V33 PolarHBondContact O-N 3.14Å; T31-V33 PolarHBondContact O-N 2.85Å; V33-Q36 PolarHBondContact O-N 3.46Å; V33-C37 WeakPolarHBondContact O-CB 3.2Å; V33-C37 PolarHBondContact O-N 2.94Å; V33-C37 PolarHBondContact O-SG 3.05Å; V33-V82 HydrophobicContact CG1-CB 4.3Å; V33-V82 HydrophobicContact CG1-CG1 4.1Å; V33-V82 HydrophobicContact CG1-CG2 4.22Å; V33-K85 HydrophobicContact CG1-CB 3.63Å; V33-K85 HydrophobicContact CG1-CD 4.36Å; V33-K85 HydrophobicContact CG2-CB 4.4Å |
| 34 | R | 96.5 | Very high | 91.7 | Very high | 93 Ų | 93 | 85.5 Ų | 85.5 | 35% | 0.351 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.2 | -50.1 | 175.6 | -79.7 | 172.4 | 172.9 | 169.9 | 0.9 | 111.4 | L30 T31 T32 Q36 C37 E38 K78 V82 | L30-R34 HydrophobicContact CD1-CG 4.25Å; L30-R34 WeakPolarHBondContact O-CB 3.45Å; L30-R34 VanDerWaalsContact O-CG 3.25Å; L30-R34 WeakPolarHBondContact O-CG 3.49Å; L30-R34 PolarHBondContact O-N 2.96Å; T31-R34 PolarHBondContact O-N 2.96Å; T32-R34 PolarHBondContact O-N 3.15Å; R34-Q36 VanDerWaalsContact C-N 3.29Å; R34-Q36 PolarHBondContact O-N 2.82Å; R34-C37 CarbonylContact O-C 3.54Å; R34-C37 WeakPolarHBondContact O-CA 3.25Å; R34-C37 PolarHBondContact O-N 3Å; R34-E38 WeakPolarHBondContact O-CG 3.36Å; R34-E38 PolarHBondContact O-N 3.33Å; R34-K78 HydrophobicContact CB-CD 4.48Å; R34-K78 HydrophobicContact CG-CD 4.27Å; R34-V82 HydrophobicContact CG-CG2 3.81Å |
| 35 | E | 95.3 | Very high | 93.1 | Very high | 125 Ų | 125 | 82.9 Ų | 82.9 | 58% | 0.584 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -57.3 | -43 | 177.9 | -72.7 | -179.6 | -179.7 | 0 | 0 | 111.9 | T31 T32 C37 E38 Q39 | T31-E35 WeakPolarHBondContact O-CG 3.35Å; T31-E35 PolarHBondContact O-N 3.21Å; T32-E35 PolarHBondContact O-N 3.4Å; E35-C37 VanDerWaalsContact C-N 3.33Å; E35-C37 PolarHBondContact O-N 3.32Å; E35-E38 PolarHBondContact O-N 3.44Å; E35-Q39 WeakPolarHBondContact O-CG 3.36Å; E35-Q39 PolarHBondContact O-N 3.21Å |
| 36 | Q | 95.2 | Very high | 94.3 | Very high | 94 Ų | 94 | 75.6 Ų | 75.6 | 44% | 0.439 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.6 | -37.3 | 174.9 | -69.9 | 175.8 | 8.3 | 0 | 0 | 112.9 | T32 V33 R34 | T32-Q36 VanDerWaalsContact O-CG 3.31Å; T32-Q36 WeakPolarHBondContact O-CG 3.48Å; T32-Q36 PolarHBondContact O-N 3.26Å; T32-Q36 VanDerWaalsContact O-N 3.15Å; V33-Q36 PolarHBondContact O-N 3.46Å; R34-Q36 VanDerWaalsContact C-N 3.29Å; R34-Q36 PolarHBondContact O-N 2.82Å |
| 37 | C | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -75.7 | -29.1 | 178.8 | -76 | 0 | 0 | 0 | 0 | 112.6 | V33 R34 E35 Q39 L40 C43 C81 V82 | V33-C37 WeakPolarHBondContact O-CB 3.2Å; V33-C37 PolarHBondContact O-N 2.94Å; V33-C37 PolarHBondContact O-SG 3.05Å; R34-C37 CarbonylContact O-C 3.54Å; R34-C37 WeakPolarHBondContact O-CA 3.25Å; R34-C37 PolarHBondContact O-N 3Å; E35-C37 VanDerWaalsContact C-N 3.33Å; E35-C37 PolarHBondContact O-N 3.32Å; C37-Q39 PolarHBondContact O-N 2.97Å; C37-L40 WeakPolarHBondContact O-CB 3.29Å; C37-L40 WeakPolarHBondContact O-CG 3.33Å; C37-L40 PolarHBondContact O-N 2.97Å; C37-C43 PolarHBondContact O-SG 3.47Å; C37-C81 VanDerWaalsContact CA-SG 3.54Å; C37-C81 HydrophobicContact CB-CB 3.6Å; C37-C81 WeakPolarHBondContact CB-SG 3.29Å; C37-C81 WeakPolarHBondContact SG-CB 3.48Å; C37-C81 CovalentContact SG-SG 2.04Å; C37-C81 PolarHBondContact SG-SG 2.83Å; C37-V82 HydrophobicContact CB-CG2 4.03Å; C37-V82 PolarHBondContact SG-N 3.12Å; C37-V82 VanDerWaalsContact SG-N 3.41Å |
| 38 | E | 95.9 | Very high | 95.6 | Very high | 57 Ų | 57 | 74.2 Ų | 74.2 | 27% | 0.266 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.8 | -22.9 | 176.7 | -75.3 | 175.8 | -168.5 | 0 | 0 | 112.8 | R34 E35 L40 C43 V44 F74 K78 | R34-E38 WeakPolarHBondContact O-CG 3.36Å; R34-E38 PolarHBondContact O-N 3.33Å; E35-E38 PolarHBondContact O-N 3.44Å; E38-L40 PolarHBondContact O-N 2.83Å; E38-C43 WeakPolarHBondContact O-CB 3.37Å; E38-V44 WeakPolarHBondContact O-CG2 3.28Å; E38-F74 HydrophobicContact CG-CE2 4.18Å; E38-F74 HydrophobicContact CG-CZ 3.9Å; E38-K78 HydrophobicContact CG-CD 3.85Å; E38-K78 HydrophobicContact CG-CG 4.18Å; E38-K78 VanDerWaalsContact OE1-CD 3.29Å; E38-K78 WeakPolarHBondContact OE1-CD 3.46Å; E38-K78 IonicContact OE1-NZ 2.64Å |
| 39 | Q | 95.8 | Very high | 95.9 | Very high | 155 Ų | 155 | 74.8 Ų | 74.8 | 72% | 0.724 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -10.5 | 173.8 | -66 | 174.7 | 12.2 | 0 | 0 | 114 | E35 C37 | E35-Q39 WeakPolarHBondContact O-CG 3.36Å; E35-Q39 PolarHBondContact O-N 3.21Å; C37-Q39 PolarHBondContact O-N 2.97Å |
| 40 | L | 95.9 | Very high | 96.1 | Very high | 79 Ų | 79 | 74.5 Ų | 74.5 | 41% | 0.414 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -66.4 | 140.3 | 176 | -66.7 | 178.1 | 0 | 0 | 0 | 110.7 | C37 E38 K42 C43 V44 C81 | C37-L40 WeakPolarHBondContact O-CB 3.29Å; C37-L40 WeakPolarHBondContact O-CG 3.33Å; C37-L40 PolarHBondContact O-N 2.97Å; E38-L40 PolarHBondContact O-N 2.83Å; L40-K42 PolarHBondContact O-N 3.43Å; L40-C43 HydrophobicContact CB-CB 4.47Å; L40-C43 WeakPolarHBondContact O-CA 3.03Å; L40-C43 WeakPolarHBondContact O-CB 3.5Å; L40-C43 PolarHBondContact O-N 3.33Å; L40-V44 WeakPolarHBondContact O-CG2 3.39Å; L40-V44 PolarHBondContact O-N 3.36Å; L40-C81 HydrophobicContact CD1-CB 3.68Å; L40-C81 VanDerWaalsContact CD1-SG 3.57Å |
| 41 | E | 96.1 | Very high | 96.2 | Very high | 133 Ų | 133 | 77.2 Ų | 77.2 | 62% | 0.621 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -51.6 | -38.2 | -177.9 | -170.4 | -170.5 | 162.4 | 0 | 0 | 113.3 | K45 | E41-K45 HydrophobicContact CG-CD 4.24Å; E41-K45 WeakPolarHBondContact O-CB 3.36Å; E41-K45 WeakPolarHBondContact O-CG 3.04Å; E41-K45 PolarHBondContact O-N 3.23Å; E41-K45 WeakPolarHBondContact OE1-CE 3.35Å; E41-K45 IonicContact OE1-NZ 3.96Å; E41-K45 PolarHBondContact OE1-NZ 3.44Å |
| 42 | K | 95.2 | Very high | 96.3 | Very high | 169 Ų | 169 | 79.4 Ų | 79.4 | 74% | 0.735 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.4 | -41.4 | 177.2 | -67.5 | -175.1 | 179.8 | -179.1 | 0 | 112.4 | L40 A46 A77 | L40-K42 PolarHBondContact O-N 3.43Å; K42-A46 WeakPolarHBondContact O-CB 3.25Å; K42-A46 PolarHBondContact O-N 2.04Å; K42-A77 HydrophobicContact CB-CB 4.38Å |
| 43 | C | 96.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 81.2 Ų | 81.2 | 1% | 0.007 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.7 | -42.9 | 179 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | C37 E38 L40 K45 A46 R47 F74 | C37-C43 PolarHBondContact O-SG 3.47Å; E38-C43 WeakPolarHBondContact O-CB 3.37Å; L40-C43 HydrophobicContact CB-CB 4.47Å; L40-C43 WeakPolarHBondContact O-CA 3.03Å; L40-C43 WeakPolarHBondContact O-CB 3.5Å; L40-C43 PolarHBondContact O-N 3.33Å; C43-K45 PolarHBondContact O-N 3.39Å; C43-A46 PolarHBondContact O-N 3.45Å; C43-R47 WeakPolarHBondContact O-CB 3.41Å; C43-R47 PolarHBondContact O-N 2.9Å; C43-F74 HydrophobicContact CB-CE2 4.47Å |
| 44 | V | 97.2 | Very high | 96.3 | Very high | 39 Ų | 39 | 85.5 Ų | 85.5 | 24% | 0.236 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.5 | -49.3 | 175.5 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | E38 L40 A46 R47 E48 | E38-V44 WeakPolarHBondContact O-CG2 3.28Å; L40-V44 WeakPolarHBondContact O-CG2 3.39Å; L40-V44 PolarHBondContact O-N 3.36Å; V44-A46 PolarHBondContact O-N 3.14Å; V44-R47 PolarHBondContact O-N 3.41Å; V44-E48 WeakPolarHBondContact O-CG 3.41Å; V44-E48 PolarHBondContact O-N 3.15Å |
| 45 | K | 97.4 | Very high | 96.3 | Very high | 116 Ų | 116 | 87.8 Ų | 87.8 | 50% | 0.504 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 177.6 | -75.9 | 175.6 | 171.7 | 173.5 | 0 | 113.2 | E41 C43 R47 E48 R49 | E41-K45 HydrophobicContact CG-CD 4.24Å; E41-K45 WeakPolarHBondContact O-CB 3.36Å; E41-K45 WeakPolarHBondContact O-CG 3.04Å; E41-K45 PolarHBondContact O-N 3.23Å; E41-K45 WeakPolarHBondContact OE1-CE 3.35Å; E41-K45 IonicContact OE1-NZ 3.96Å; E41-K45 PolarHBondContact OE1-NZ 3.44Å; C43-K45 PolarHBondContact O-N 3.39Å; K45-R47 VanDerWaalsContact C-N 3.33Å; K45-E48 PolarHBondContact O-N 3.21Å; K45-R49 PolarHBondContact O-N 3.42Å |
| 46 | A | 97.2 | Very high | 96.2 | Very high | 15 Ų | 15 | 85.2 Ų | 85.2 | 12% | 0.124 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K42 C43 V44 R49 L50 F74 | K42-A46 WeakPolarHBondContact O-CB 3.25Å; K42-A46 PolarHBondContact O-N 2.04Å; C43-A46 PolarHBondContact O-N 3.45Å; V44-A46 PolarHBondContact O-N 3.14Å; A46-R49 PolarHBondContact O-N 3.34Å; A46-L50 WeakPolarHBondContact O-CB 3.48Å; A46-L50 PolarHBondContact O-N 3.48Å; A46-F74 HydrophobicContact CB-CB 4.02Å; A46-F74 HydrophobicContact CB-CD2 4.38Å |
| 47 | R | 97.1 | Very high | 96.1 | Very high | 103 Ų | 103 | 82.1 Ų | 82.1 | 39% | 0.389 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65 | -45.8 | 174.3 | -173.5 | -173.2 | 65.3 | 172.2 | 2.3 | 112.1 | C43 V44 K45 R49 L50 E51 F74 | C43-R47 WeakPolarHBondContact O-CB 3.41Å; C43-R47 PolarHBondContact O-N 2.9Å; V44-R47 PolarHBondContact O-N 3.41Å; K45-R47 VanDerWaalsContact C-N 3.33Å; R47-R49 VanDerWaalsContact C-N 3.28Å; R47-R49 PolarHBondContact O-N 3.41Å; R47-L50 WeakPolarHBondContact O-CB 3.41Å; R47-L50 PolarHBondContact O-N 2.88Å; R47-L50 VanDerWaalsContact O-N 3.12Å; R47-E51 HydrophobicContact CG-CG 4.46Å; R47-E51 WeakPolarHBondContact CG-OE1 3.4Å; R47-E51 IonicContact NE-OE1 3.8Å; R47-E51 WeakPolarHBondContact O-CG 3.44Å; R47-E51 PolarHBondContact O-N 2.77Å; R47-F74 HydrophobicContact CB-CD2 4.04Å; R47-F74 HydrophobicContact CB-CE2 4.05Å |
| 48 | E | 97.3 | Very high | 95.9 | Very high | 108 Ų | 108 | 86.3 Ų | 86.3 | 51% | 0.505 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.5 | -40.5 | 175.6 | -74.1 | 172.9 | 173.2 | 0 | 0 | 111.7 | V44 K45 L52 | V44-E48 WeakPolarHBondContact O-CG 3.41Å; V44-E48 PolarHBondContact O-N 3.15Å; K45-E48 PolarHBondContact O-N 3.21Å; E48-L52 WeakPolarHBondContact O-CB 3.49Å; E48-L52 PolarHBondContact O-N 2.88Å |
| 49 | R | 96.5 | Very high | 95.8 | Very high | 87 Ų | 87 | 87.9 Ų | 87.9 | 33% | 0.328 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 174 | -173.7 | -175.1 | 168.2 | -175.3 | -3.8 | 110.9 | K45 A46 R47 E51 L52 Y53 E69 E70 D73 | K45-R49 PolarHBondContact O-N 3.42Å; A46-R49 PolarHBondContact O-N 3.34Å; R47-R49 VanDerWaalsContact C-N 3.28Å; R47-R49 PolarHBondContact O-N 3.41Å; R49-E51 PolarHBondContact O-N 2.89Å; R49-L52 PolarHBondContact O-N 3.12Å; R49-Y53 HydrophobicContact CG-CD2 3.86Å; R49-Y53 HydrophobicContact CG-CE2 3.88Å; R49-Y53 VanDerWaalsContact O-CD2 3.32Å; R49-Y53 WeakPolarHBondContact O-CD2 3.33Å; R49-Y53 PolarHBondContact O-N 3.26Å; R49-E69 IonicContact CZ-OE1 3.72Å; R49-E69 IonicContact NH1-OE1 3.78Å; R49-E69 IonicContact NH2-OE1 2.85Å; R49-E69 PolarHBondContact NH2-OE1 3.06Å; R49-E70 HydrophobicContact CG-CG 3.81Å; R49-E70 IonicContact CZ-OE1 3.31Å; R49-E70 VanDerWaalsContact CZ-OE1 3.31Å; R49-E70 IonicContact NE-OE1 3.12Å; R49-E70 PolarHBondContact NE-OE1 3.48Å; R49-E70 VanDerWaalsContact NE-OE1 3.12Å; R49-E70 IonicContact NH2-OE1 2.83Å; R49-E70 PolarHBondContact NH2-OE1 2.94Å; R49-D73 IonicContact NH1-OD2 3.18Å; R49-D73 PolarHBondContact NH1-OD2 3.02Å |
| 50 | L | 97.3 | Very high | 95.6 | Very high | 35 Ų | 35 | 85.5 Ų | 85.5 | 18% | 0.183 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -57.4 | -48.4 | 177.6 | 176.9 | 61.8 | 0 | 0 | 0 | 111.8 | A46 R47 L52 Y53 D54 C67 E70 L71 | A46-L50 WeakPolarHBondContact O-CB 3.48Å; A46-L50 PolarHBondContact O-N 3.48Å; R47-L50 WeakPolarHBondContact O-CB 3.41Å; R47-L50 PolarHBondContact O-N 2.88Å; R47-L50 VanDerWaalsContact O-N 3.12Å; L50-L52 PolarHBondContact O-N 3.36Å; L50-Y53 PolarHBondContact O-N 3.32Å; L50-D54 WeakPolarHBondContact O-CB 3.41Å; L50-D54 PolarHBondContact O-N 2.95Å; L50-C67 HydrophobicContact CD1-CB 3.82Å; L50-E70 HydrophobicContact CB-CB 4.03Å; L50-E70 HydrophobicContact CD1-CB 3.71Å; L50-E70 HydrophobicContact CG-CB 4.5Å; L50-L71 HydrophobicContact CD1-CB 4.41Å; L50-L71 HydrophobicContact CD2-CD1 4.36Å |
| 51 | E | 96.9 | Very high | 95.2 | Very high | 95 Ų | 95 | 87 Ų | 87 | 44% | 0.444 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 178.1 | -71.7 | 169.1 | -174.7 | 0 | 0 | 111.6 | R47 R49 Y53 D54 E55 | R47-E51 HydrophobicContact CG-CG 4.46Å; R47-E51 WeakPolarHBondContact CG-OE1 3.4Å; R47-E51 IonicContact NE-OE1 3.8Å; R47-E51 WeakPolarHBondContact O-CG 3.44Å; R47-E51 PolarHBondContact O-N 2.77Å; R49-E51 PolarHBondContact O-N 2.89Å; E51-Y53 PolarHBondContact O-N 3.49Å; E51-D54 PolarHBondContact O-N 3.03Å; E51-E55 WeakPolarHBondContact O-CG 3.35Å; E51-E55 PolarHBondContact O-N 2.99Å |
| 52 | L | 96.2 | Very high | 94.7 | Very high | 107 Ų | 107 | 89.1 Ų | 89.1 | 56% | 0.56 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -62.9 | -40.7 | 177.3 | -179.3 | 147.8 | 0 | 0 | 0 | 112.7 | E48 R49 L50 H56 | E48-L52 WeakPolarHBondContact O-CB 3.49Å; E48-L52 PolarHBondContact O-N 2.88Å; R49-L52 PolarHBondContact O-N 3.12Å; L50-L52 PolarHBondContact O-N 3.36Å; L52-H56 WeakPolarHBondContact O-CB 3.38Å; L52-H56 PolarHBondContact O-N 2.86Å; L52-H56 VanDerWaalsContact O-N 3.1Å |
| 53 | Y | 94.9 | Very high | 94.5 | Very high | 90 Ų | 90 | 83.4 Ų | 83.4 | 35% | 0.353 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -71.7 | -36.6 | 177.5 | -88.9 | -98.7 | 0 | 0 | 0 | 111.7 | R49 L50 E51 H56 V57 E70 | R49-Y53 HydrophobicContact CG-CD2 3.86Å; R49-Y53 HydrophobicContact CG-CE2 3.88Å; R49-Y53 VanDerWaalsContact O-CD2 3.32Å; R49-Y53 WeakPolarHBondContact O-CD2 3.33Å; R49-Y53 PolarHBondContact O-N 3.26Å; L50-Y53 PolarHBondContact O-N 3.32Å; E51-Y53 PolarHBondContact O-N 3.49Å; Y53-H56 PolarHBondContact O-N 2.94Å; Y53-V57 WeakPolarHBondContact O-CB 3.37Å; Y53-V57 WeakPolarHBondContact O-CG2 3.14Å; Y53-V57 PolarHBondContact O-N 2.89Å; Y53-E70 HydrophobicContact CD2-CG 3.88Å; Y53-E70 HydrophobicContact CE2-CG 4.44Å; Y53-E70 HydrophobicContact CG-CG 3.97Å |
| 54 | D | 95.4 | Very high | 94.2 | Very high | 95 Ų | 95 | 93.1 Ų | 93.1 | 51% | 0.508 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 174.8 | -171.5 | 57 | 0 | 0 | 0 | 111.7 | L50 E51 H56 V57 S58 | L50-D54 WeakPolarHBondContact O-CB 3.41Å; L50-D54 PolarHBondContact O-N 2.95Å; E51-D54 PolarHBondContact O-N 3.03Å; D54-H56 VanDerWaalsContact C-N 3.3Å; D54-H56 PolarHBondContact O-N 3.38Å; D54-V57 PolarHBondContact O-N 3.13Å; D54-S58 WeakPolarHBondContact O-CB 3.42Å; D54-S58 PolarHBondContact O-N 3.47Å; D54-S58 PolarHBondContact O-OG 3.05Å |
| 55 | E | 95.1 | Very high | 93.9 | Very high | 141 Ų | 141 | 95.5 Ų | 95.5 | 66% | 0.659 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59 | -41.4 | 170.5 | -74.4 | -178 | -178.9 | 0 | 0 | 112 | E51 S58 S59 | E51-E55 WeakPolarHBondContact O-CG 3.35Å; E51-E55 PolarHBondContact O-N 2.99Å; E55-S58 WeakPolarHBondContact CA-OG 3.27Å; E55-S58 PolarHBondContact O-OG 2.64Å; E55-S59 WeakPolarHBondContact O-CB 3.32Å; E55-S59 PolarHBondContact O-N 2.77Å; E55-S59 VanDerWaalsContact O-N 3.11Å |
| 56 | H | 93 | Very high | 93.6 | Very high | 71 Ų | 71 | 94.5 Ų | 94.5 | 33% | 0.329 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.9 | -45.4 | 178.6 | 174.8 | -94.8 | 0 | 0 | 0 | 112.4 | L52 Y53 D54 S59 R60 E65 | L52-H56 WeakPolarHBondContact O-CB 3.38Å; L52-H56 PolarHBondContact O-N 2.86Å; L52-H56 VanDerWaalsContact O-N 3.1Å; Y53-H56 PolarHBondContact O-N 2.94Å; D54-H56 VanDerWaalsContact C-N 3.3Å; D54-H56 PolarHBondContact O-N 3.38Å; H56-S59 PolarHBondContact O-N 2.99Å; H56-S59 PolarHBondContact O-OG 3.41Å; H56-R60 PolarHBondContact CE1-NE 2.89Å; H56-R60 PolarHBondContact CE1-NH2 3.47Å; H56-R60 PolarHBondContact NE2-NE 2.87Å; H56-R60 PolarHBondContact NE2-NH2 3.4Å; H56-E65 IonicContact CE1-OE2 3.39Å; H56-E65 PolarHBondContact CE1-OE2 3.45Å; H56-E65 IonicContact ND1-OE2 3.67Å |
| 57 | V | 93.7 | Very high | 93.6 | Very high | 28 Ų | 28 | 94.8 Ų | 94.8 | 17% | 0.17 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -65.6 | -45.2 | 178.2 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | Y53 D54 S59 R60 T63 E65 | Y53-V57 WeakPolarHBondContact O-CB 3.37Å; Y53-V57 WeakPolarHBondContact O-CG2 3.14Å; Y53-V57 PolarHBondContact O-N 2.89Å; D54-V57 PolarHBondContact O-N 3.13Å; V57-S59 PolarHBondContact O-N 2.83Å; V57-R60 PolarHBondContact O-N 3.4Å; V57-R60 VanDerWaalsContact O-N 3.08Å; V57-T63 HydrophobicContact CG1-CG2 3.97Å; V57-E65 HydrophobicContact CG2-CB 4.28Å |
| 58 | S | 92.8 | Very high | 93.5 | Very high | 88 Ų | 88 | 93 Ų | 93 | 62% | 0.615 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.6 | -27.6 | 178 | 64.5 | 0 | 0 | 0 | 0 | 113.4 | D54 E55 R60 | D54-S58 WeakPolarHBondContact O-CB 3.42Å; D54-S58 PolarHBondContact O-N 3.47Å; D54-S58 PolarHBondContact O-OG 3.05Å; E55-S58 WeakPolarHBondContact CA-OG 3.27Å; E55-S58 PolarHBondContact O-OG 2.64Å; S58-R60 VanDerWaalsContact C-N 3.29Å; S58-R60 PolarHBondContact O-N 3.36Å |
| 59 | S | 93.8 | Very high | 93.4 | Very high | 90 Ų | 90 | 93.1 Ų | 93.1 | 63% | 0.629 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -17.6 | 174.8 | 78.9 | 0 | 0 | 0 | 0 | 114.2 | E55 H56 V57 | E55-S59 WeakPolarHBondContact O-CB 3.32Å; E55-S59 PolarHBondContact O-N 2.77Å; E55-S59 VanDerWaalsContact O-N 3.11Å; H56-S59 PolarHBondContact O-N 2.99Å; H56-S59 PolarHBondContact O-OG 3.41Å; V57-S59 PolarHBondContact O-N 2.83Å |
| 60 | R | 91.8 | Very high | 93.5 | Very high | 106 Ų | 106 | 89.2 Ų | 89.2 | 40% | 0.4 | 46% | 0.462 | S | S | . | . | trans | -94.7 | 124.3 | -178.3 | -66.8 | -176.3 | 175.9 | -164.9 | 3.7 | 110.3 | H56 V57 S58 H62 T63 E65 | H56-R60 PolarHBondContact CE1-NE 2.89Å; H56-R60 PolarHBondContact CE1-NH2 3.47Å; H56-R60 PolarHBondContact NE2-NE 2.87Å; H56-R60 PolarHBondContact NE2-NH2 3.4Å; V57-R60 PolarHBondContact O-N 3.4Å; V57-R60 VanDerWaalsContact O-N 3.08Å; S58-R60 VanDerWaalsContact C-N 3.29Å; S58-R60 PolarHBondContact O-N 3.36Å; R60-H62 VanDerWaalsContact C-N 3.28Å; R60-H62 PolarHBondContact O-N 3.29Å; R60-T63 HydrophobicContact CB-CG2 3.95Å; R60-E65 IonicContact CZ-OE1 3.72Å; R60-E65 IonicContact CZ-OE2 3.18Å; R60-E65 IonicContact NE-OE2 3.59Å; R60-E65 IonicContact NH1-OE1 2.95Å; R60-E65 PolarHBondContact NH1-OE1 2.9Å; R60-E65 IonicContact NH1-OE2 2.75Å; R60-E65 PolarHBondContact NH1-OE2 3.28Å; R60-E65 IonicContact NH2-OE1 3.91Å; R60-E65 IonicContact NH2-OE2 3.84Å | ||
| 61 | S | 86.9 | Confident | 93.5 | Very high | 109 Ų | 109 | 91 Ų | 91 | 76% | 0.762 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -69.2 | -27.1 | 178.6 | 60.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 62 | H | 87.1 | Confident | 93.5 | Very high | 178 Ų | 178 | 93 Ų | 93 | 82% | 0.824 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -145.9 | 105.1 | 178 | -63.4 | -65.7 | 0 | 0 | 0 | 108.7 | R60 | R60-H62 VanDerWaalsContact C-N 3.28Å; R60-H62 PolarHBondContact O-N 3.29Å |
| 63 | T | 89.6 | Confident | 93.6 | Very high | 50 Ų | 50 | 91.3 Ų | 91.3 | 31% | 0.307 | 47% | 0.471 | S | S | . | . | trans | -138.9 | 146.6 | 172.9 | -169.1 | 0 | 0 | 0 | 0 | 109.3 | V57 R60 E65 | V57-T63 HydrophobicContact CG1-CG2 3.97Å; R60-T63 HydrophobicContact CB-CG2 3.95Å; T63-E65 VanDerWaalsContact C-N 3.33Å; T63-E65 HydrophobicContact CG2-CB 4.35Å; T63-E65 WeakPolarHBondContact OG1-CB 3.4Å; T63-E65 WeakPolarHBondContact OG1-CG 3.21Å; T63-E65 PolarHBondContact OG1-N 2.94Å; T63-E65 PolarHBondContact OG1-OE2 3.31Å | ||
| 64 | E | 90.6 | Very high | 93.7 | Very high | 204 Ų | 204 | 88 Ų | 88 | 95% | 0.953 | 46% | 0.458 | S | S | * | . | trans | -91.3 | -3.9 | 168.1 | -64.6 | -176.7 | 163.1 | 0 | 0 | 111.1 | ||||
| 65 | E | 90.9 | Very high | 93.8 | Very high | 89 Ų | 89 | 86 Ų | 86 | 42% | 0.416 | 45% | 0.447 | S | S | . | . | trans | -70.1 | 137.6 | 175.4 | -62.7 | 166.4 | 165.6 | 0 | 0 | 110.2 | H56 V57 R60 T63 | H56-E65 IonicContact CE1-OE2 3.39Å; H56-E65 PolarHBondContact CE1-OE2 3.45Å; H56-E65 IonicContact ND1-OE2 3.67Å; V57-E65 HydrophobicContact CG2-CB 4.28Å; R60-E65 IonicContact CZ-OE1 3.72Å; R60-E65 IonicContact CZ-OE2 3.18Å; R60-E65 IonicContact NE-OE2 3.59Å; R60-E65 IonicContact NH1-OE1 2.95Å; R60-E65 PolarHBondContact NH1-OE1 2.9Å; R60-E65 IonicContact NH1-OE2 2.75Å; R60-E65 PolarHBondContact NH1-OE2 3.28Å; R60-E65 IonicContact NH2-OE1 3.91Å; R60-E65 IonicContact NH2-OE2 3.84Å; T63-E65 VanDerWaalsContact C-N 3.33Å; T63-E65 HydrophobicContact CG2-CB 4.35Å; T63-E65 WeakPolarHBondContact OG1-CB 3.4Å; T63-E65 WeakPolarHBondContact OG1-CG 3.21Å; T63-E65 PolarHBondContact OG1-N 2.94Å; T63-E65 PolarHBondContact OG1-OE2 3.31Å | ||
| 66 | D | 92.6 | Very high | 93.9 | Very high | 96 Ų | 96 | 86 Ų | 86 | 51% | 0.513 | 45% | 0.447 | S | S | . | . | trans | -125.3 | 173.3 | 171.3 | 66.2 | 42.5 | 0 | 0 | 0 | 110.4 | T68 | D66-T68 HydrophobicContact CB-CG2 4.29Å; D66-T68 VanDerWaalsContact OD1-CB 3.29Å; D66-T68 WeakPolarHBondContact OD1-CB 3.37Å; D66-T68 WeakPolarHBondContact OD1-CG2 3.47Å; D66-T68 PolarHBondContact OD1-N 3.1Å; D66-T68 PolarHBondContact OD1-OG1 3.46Å | ||
| 67 | C | 95.3 | Very high | 94.1 | Very high | 21 Ų | 21 | 83.7 Ų | 83.7 | 14% | 0.142 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -102.5 | 24.7 | 179.5 | -53.4 | 0 | 0 | 0 | 0 | 112.2 | L50 L71 | L50-C67 HydrophobicContact CD1-CB 3.82Å; C67-L71 WeakPolarHBondContact O-CB 3.41Å; C67-L71 PolarHBondContact O-N 3Å |
| 68 | T | 96.4 | Very high | 94.3 | Very high | 64 Ų | 64 | 83.3 Ų | 83.3 | 39% | 0.393 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.8 | -34.6 | -172.9 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | D66 L71 F72 | D66-T68 HydrophobicContact CB-CG2 4.29Å; D66-T68 VanDerWaalsContact OD1-CB 3.29Å; D66-T68 WeakPolarHBondContact OD1-CB 3.37Å; D66-T68 WeakPolarHBondContact OD1-CG2 3.47Å; D66-T68 PolarHBondContact OD1-N 3.1Å; D66-T68 PolarHBondContact OD1-OG1 3.46Å; T68-L71 PolarHBondContact O-N 3.41Å; T68-F72 WeakPolarHBondContact O-CD2 3.39Å; T68-F72 VanDerWaalsContact O-CG 3.31Å; T68-F72 WeakPolarHBondContact O-CG 3.49Å; T68-F72 PolarHBondContact O-N 3.12Å |
| 69 | E | 95.7 | Very high | 94.5 | Very high | 111 Ų | 111 | 82.3 Ų | 82.3 | 52% | 0.519 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.7 | -52.6 | 174.5 | -176.1 | -173.3 | 136.4 | 0 | 0 | 110.7 | R49 L71 F72 D73 | R49-E69 IonicContact CZ-OE1 3.72Å; R49-E69 IonicContact NH1-OE1 3.78Å; R49-E69 IonicContact NH2-OE1 2.85Å; R49-E69 PolarHBondContact NH2-OE1 3.06Å; E69-L71 VanDerWaalsContact C-N 3.27Å; E69-L71 PolarHBondContact O-N 3.03Å; E69-F72 PolarHBondContact O-N 3.1Å; E69-F72 VanDerWaalsContact O-N 3.13Å; E69-D73 PolarHBondContact O-N 3.06Å |
| 70 | E | 96.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 83.8 Ų | 83.8 | 3% | 0.028 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.7 | -38 | 178.9 | -73.3 | 68.7 | -150.7 | 0 | 0 | 112 | R49 L50 Y53 D73 F74 | R49-E70 HydrophobicContact CG-CG 3.81Å; R49-E70 IonicContact CZ-OE1 3.31Å; R49-E70 VanDerWaalsContact CZ-OE1 3.31Å; R49-E70 IonicContact NE-OE1 3.12Å; R49-E70 PolarHBondContact NE-OE1 3.48Å; R49-E70 VanDerWaalsContact NE-OE1 3.12Å; R49-E70 IonicContact NH2-OE1 2.83Å; R49-E70 PolarHBondContact NH2-OE1 2.94Å; L50-E70 HydrophobicContact CB-CB 4.03Å; L50-E70 HydrophobicContact CD1-CB 3.71Å; L50-E70 HydrophobicContact CG-CB 4.5Å; Y53-E70 HydrophobicContact CD2-CG 3.88Å; Y53-E70 HydrophobicContact CE2-CG 4.44Å; Y53-E70 HydrophobicContact CG-CG 3.97Å; E70-D73 PolarHBondContact O-N 3.31Å; E70-F74 PolarHBondContact O-N 3.45Å |
| 71 | L | 97.1 | Very high | 94.9 | Very high | 71 Ų | 71 | 79.4 Ų | 79.4 | 37% | 0.372 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 175.5 | 179.3 | 62.3 | 0 | 0 | 0 | 111.2 | L50 C67 T68 E69 F74 L75 | L50-L71 HydrophobicContact CD1-CB 4.41Å; L50-L71 HydrophobicContact CD2-CD1 4.36Å; C67-L71 WeakPolarHBondContact O-CB 3.41Å; C67-L71 PolarHBondContact O-N 3Å; T68-L71 PolarHBondContact O-N 3.41Å; E69-L71 VanDerWaalsContact C-N 3.27Å; E69-L71 PolarHBondContact O-N 3.03Å; L71-F74 PolarHBondContact O-N 3.43Å; L71-L75 HydrophobicContact CD1-CD1 4.11Å; L71-L75 HydrophobicContact CD1-CG 4.11Å; L71-L75 HydrophobicContact CG-CD1 3.96Å; L71-L75 HydrophobicContact CG-CG 4.36Å; L71-L75 WeakPolarHBondContact O-CB 3.32Å; L71-L75 VanDerWaalsContact O-CG 3.27Å; L71-L75 WeakPolarHBondContact O-CG 3.33Å; L71-L75 PolarHBondContact O-N 3.31Å |
| 72 | F | 98.1 | Very high | 95.4 | Very high | 138 Ų | 138 | 74.6 Ų | 74.6 | 61% | 0.605 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -66.4 | -36.5 | 177.5 | -68.5 | -27.8 | 0 | 0 | 0 | 112.6 | T68 E69 H76 | T68-F72 WeakPolarHBondContact O-CD2 3.39Å; T68-F72 VanDerWaalsContact O-CG 3.31Å; T68-F72 WeakPolarHBondContact O-CG 3.49Å; T68-F72 PolarHBondContact O-N 3.12Å; E69-F72 PolarHBondContact O-N 3.1Å; E69-F72 VanDerWaalsContact O-N 3.13Å; F72-H76 WeakPolarHBondContact O-CB 3.22Å; F72-H76 PolarHBondContact O-N 3.11Å |
| 73 | D | 97.3 | Very high | 95.8 | Very high | 72 Ų | 72 | 69 Ų | 69 | 39% | 0.385 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 172.9 | -81.6 | -13 | 0 | 0 | 0 | 111.5 | R49 E69 E70 A77 | R49-D73 IonicContact NH1-OD2 3.18Å; R49-D73 PolarHBondContact NH1-OD2 3.02Å; E69-D73 PolarHBondContact O-N 3.06Å; E70-D73 PolarHBondContact O-N 3.31Å; D73-A77 PolarHBondContact O-N 2.8Å; D73-A77 VanDerWaalsContact O-N 3.12Å |
| 74 | F | 97.9 | Very high | 96.1 | Very high | 21 Ų | 21 | 73.1 Ų | 73.1 | 9% | 0.092 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.6 | -49.1 | 177.7 | 171.4 | -108.7 | 0 | 0 | 0 | 112.1 | E38 C43 A46 R47 E70 L71 H76 A77 K78 | E38-F74 HydrophobicContact CG-CE2 4.18Å; E38-F74 HydrophobicContact CG-CZ 3.9Å; C43-F74 HydrophobicContact CB-CE2 4.47Å; A46-F74 HydrophobicContact CB-CB 4.02Å; A46-F74 HydrophobicContact CB-CD2 4.38Å; R47-F74 HydrophobicContact CB-CD2 4.04Å; R47-F74 HydrophobicContact CB-CE2 4.05Å; E70-F74 PolarHBondContact O-N 3.45Å; L71-F74 PolarHBondContact O-N 3.43Å; F74-H76 PolarHBondContact O-N 3.29Å; F74-A77 PolarHBondContact O-N 2.99Å; F74-K78 HydrophobicContact CE1-CD 4.33Å; F74-K78 HydrophobicContact CZ-CD 4.18Å; F74-K78 WeakPolarHBondContact O-CB 3.36Å; F74-K78 PolarHBondContact O-N 3.01Å |
| 75 | L | 97.8 | Very high | 96.3 | Very high | 52 Ų | 52 | 67.1 Ų | 67.1 | 27% | 0.272 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 179 | -72.1 | 176.7 | 0 | 0 | 0 | 111.4 | L71 A77 K78 D79 | L71-L75 HydrophobicContact CD1-CD1 4.11Å; L71-L75 HydrophobicContact CD1-CG 4.11Å; L71-L75 HydrophobicContact CG-CD1 3.96Å; L71-L75 HydrophobicContact CG-CG 4.36Å; L71-L75 WeakPolarHBondContact O-CB 3.32Å; L71-L75 VanDerWaalsContact O-CG 3.27Å; L71-L75 WeakPolarHBondContact O-CG 3.33Å; L71-L75 PolarHBondContact O-N 3.31Å; L75-A77 VanDerWaalsContact C-N 3.35Å; L75-A77 PolarHBondContact O-N 3.08Å; L75-K78 PolarHBondContact O-N 3.39Å; L75-D79 WeakPolarHBondContact O-CB 3.32Å; L75-D79 VanDerWaalsContact O-CG 3.24Å; L75-D79 PolarHBondContact O-N 3.13Å |
| 76 | H | 97.4 | Very high | 96.5 | Very high | 141 Ų | 141 | 64.1 Ų | 64.1 | 65% | 0.653 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.2 | -44 | 178 | 178.3 | -102.7 | 0 | 0 | 0 | 112 | F72 F74 H80 | F72-H76 WeakPolarHBondContact O-CB 3.22Å; F72-H76 PolarHBondContact O-N 3.11Å; F74-H76 PolarHBondContact O-N 3.29Å; H76-H80 VanDerWaalsContact O-CB 3.22Å; H76-H80 WeakPolarHBondContact O-CB 3.36Å; H76-H80 PolarHBondContact O-N 2.69Å; H76-H80 VanDerWaalsContact O-N 3.1Å |
| 77 | A | 96.3 | Very high | 96.6 | Very high | 22 Ų | 22 | 66.7 Ų | 66.7 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64 | -45.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K42 D73 F74 L75 | K42-A77 HydrophobicContact CB-CB 4.38Å; D73-A77 PolarHBondContact O-N 2.8Å; D73-A77 VanDerWaalsContact O-N 3.12Å; F74-A77 PolarHBondContact O-N 2.99Å; L75-A77 VanDerWaalsContact C-N 3.35Å; L75-A77 PolarHBondContact O-N 3.08Å |
| 78 | K | 97.7 | Very high | 96.5 | Very high | 20 Ų | 20 | 72.1 Ų | 72.1 | 9% | 0.087 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.9 | -52.8 | 179.7 | -177.2 | -176.4 | 69.3 | -177.2 | 0 | 111.3 | R34 E38 F74 L75 H80 C81 V82 | R34-K78 HydrophobicContact CB-CD 4.48Å; R34-K78 HydrophobicContact CG-CD 4.27Å; E38-K78 HydrophobicContact CG-CD 3.85Å; E38-K78 HydrophobicContact CG-CG 4.18Å; E38-K78 VanDerWaalsContact OE1-CD 3.29Å; E38-K78 WeakPolarHBondContact OE1-CD 3.46Å; E38-K78 IonicContact OE1-NZ 2.64Å; F74-K78 HydrophobicContact CE1-CD 4.33Å; F74-K78 HydrophobicContact CZ-CD 4.18Å; F74-K78 WeakPolarHBondContact O-CB 3.36Å; F74-K78 PolarHBondContact O-N 3.01Å; L75-K78 PolarHBondContact O-N 3.39Å; K78-H80 VanDerWaalsContact C-N 3.31Å; K78-H80 PolarHBondContact O-N 2.98Å; K78-C81 WeakPolarHBondContact O-CA 3.34Å; K78-C81 WeakPolarHBondContact O-CB 3.31Å; K78-C81 PolarHBondContact O-N 3.18Å; K78-V82 HydrophobicContact CG-CG2 4.06Å; K78-V82 WeakPolarHBondContact O-CG2 3.18Å; K78-V82 PolarHBondContact O-N 3.18Å |
| 79 | D | 97.1 | Very high | 96.2 | Very high | 68 Ų | 68 | 73.5 Ų | 73.5 | 36% | 0.364 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -70 | -29.8 | -172.2 | -66.6 | -23.9 | 0 | 0 | 0 | 111.9 | L75 C81 V82 A83 | L75-D79 WeakPolarHBondContact O-CB 3.32Å; L75-D79 VanDerWaalsContact O-CG 3.24Å; L75-D79 PolarHBondContact O-N 3.13Å; D79-C81 VanDerWaalsContact C-N 3.29Å; D79-C81 PolarHBondContact O-N 3.45Å; D79-V82 PolarHBondContact O-N 2.95Å; D79-A83 VanDerWaalsContact O-CB 3.25Å; D79-A83 WeakPolarHBondContact O-CB 3.48Å; D79-A83 PolarHBondContact O-N 3.34Å |
| 80 | H | 97.2 | Very high | 95.9 | Very high | 120 Ų | 120 | 72.2 Ų | 72.2 | 56% | 0.556 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -57.6 | -43.3 | 169 | -177.1 | 69.9 | 0 | 0 | 0 | 111.6 | H76 K78 H84 | H76-H80 VanDerWaalsContact O-CB 3.22Å; H76-H80 WeakPolarHBondContact O-CB 3.36Å; H76-H80 PolarHBondContact O-N 2.69Å; H76-H80 VanDerWaalsContact O-N 3.1Å; K78-H80 VanDerWaalsContact C-N 3.31Å; K78-H80 PolarHBondContact O-N 2.98Å; H80-H84 AromaticContact CE1-NE2 3.87Å; H80-H84 PolarHBondContact O-CD2 2.6Å |
| 81 | C | 96.6 | Very high | 95.4 | Very high | 14 Ų | 14 | 85.4 Ų | 85.4 | 10% | 0.095 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -70.9 | -44.7 | 175.1 | 172 | 0 | 0 | 0 | 0 | 112.5 | C37 L40 K78 D79 A83 H84 | C37-C81 VanDerWaalsContact CA-SG 3.54Å; C37-C81 HydrophobicContact CB-CB 3.6Å; C37-C81 WeakPolarHBondContact CB-SG 3.29Å; C37-C81 WeakPolarHBondContact SG-CB 3.48Å; C37-C81 CovalentContact SG-SG 2.04Å; C37-C81 PolarHBondContact SG-SG 2.83Å; L40-C81 HydrophobicContact CD1-CB 3.68Å; L40-C81 VanDerWaalsContact CD1-SG 3.57Å; K78-C81 WeakPolarHBondContact O-CA 3.34Å; K78-C81 WeakPolarHBondContact O-CB 3.31Å; K78-C81 PolarHBondContact O-N 3.18Å; D79-C81 VanDerWaalsContact C-N 3.29Å; D79-C81 PolarHBondContact O-N 3.45Å; C81-A83 VanDerWaalsContact C-N 3.33Å; C81-A83 PolarHBondContact O-N 3.38Å; C81-H84 PolarHBondContact O-N 3.2Å |
| 82 | V | 97.3 | Very high | 95.3 | Very high | 8 Ų | 8 | 86.2 Ų | 86.2 | 5% | 0.048 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.1 | -42.8 | -177.9 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | L30 V33 R34 C37 K78 D79 H84 K85 L86 | L30-V82 HydrophobicContact CD1-CG1 3.96Å; V33-V82 HydrophobicContact CG1-CB 4.3Å; V33-V82 HydrophobicContact CG1-CG1 4.1Å; V33-V82 HydrophobicContact CG1-CG2 4.22Å; R34-V82 HydrophobicContact CG-CG2 3.81Å; C37-V82 HydrophobicContact CB-CG2 4.03Å; C37-V82 PolarHBondContact SG-N 3.12Å; C37-V82 VanDerWaalsContact SG-N 3.41Å; K78-V82 HydrophobicContact CG-CG2 4.06Å; K78-V82 WeakPolarHBondContact O-CG2 3.18Å; K78-V82 PolarHBondContact O-N 3.18Å; D79-V82 PolarHBondContact O-N 2.95Å; V82-H84 PolarHBondContact O-N 3.18Å; V82-H84 VanDerWaalsContact O-N 3.15Å; V82-K85 PolarHBondContact O-N 2.75Å; V82-L86 HydrophobicContact CG1-CB 3.94Å; V82-L86 HydrophobicContact CG1-CD2 4.16Å; V82-L86 VanDerWaalsContact O-CB 3.28Å; V82-L86 WeakPolarHBondContact O-CB 3.39Å; V82-L86 PolarHBondContact O-N 2.95Å |
| 83 | A | 96.5 | Very high | 95.1 | Very high | 62 Ų | 62 | 83.4 Ų | 83.4 | 51% | 0.512 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -56.2 | -33.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D79 C81 | D79-A83 VanDerWaalsContact O-CB 3.25Å; D79-A83 WeakPolarHBondContact O-CB 3.48Å; D79-A83 PolarHBondContact O-N 3.34Å; C81-A83 VanDerWaalsContact C-N 3.33Å; C81-A83 PolarHBondContact O-N 3.38Å |
| 84 | H | 95.4 | Very high | 95 | Very high | 136 Ų | 136 | 84.1 Ų | 84.1 | 63% | 0.63 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -77.3 | -20 | 178.2 | -77.1 | -63.3 | 0 | 0 | 0 | 114.3 | H80 C81 V82 N88 | H80-H84 AromaticContact CE1-NE2 3.87Å; H80-H84 PolarHBondContact O-CD2 2.6Å; C81-H84 PolarHBondContact O-N 3.2Å; V82-H84 PolarHBondContact O-N 3.18Å; V82-H84 VanDerWaalsContact O-N 3.15Å; H84-N88 PolarHBondContact O-ND2 3.35Å |
| 85 | K | 95 | Very high | 94.9 | Very high | 78 Ų | 78 | 87.8 Ų | 87.8 | 34% | 0.339 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -115.5 | -34.5 | -170.4 | -67.6 | -177.2 | -178.8 | -179.7 | 0 | 113.9 | V33 V82 F87 N88 N89 | V33-K85 HydrophobicContact CG1-CB 3.63Å; V33-K85 HydrophobicContact CG1-CD 4.36Å; V33-K85 HydrophobicContact CG2-CB 4.4Å; V82-K85 PolarHBondContact O-N 2.75Å; K85-F87 PolarHBondContact O-N 3Å; K85-N88 WeakPolarHBondContact O-CB 3.33Å; K85-N88 PolarHBondContact O-N 3.39Å; K85-N89 PolarHBondContact O-ND2 2.85Å |
| 86 | L | 95.5 | Very high | 94.7 | Very high | 26 Ų | 26 | 90 Ų | 90 | 14% | 0.136 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -58 | -51.9 | -169.4 | 179.4 | 62.8 | 0 | 0 | 0 | 112.3 | L30 V82 N88 N89 L90 | L30-L86 HydrophobicContact CB-CD1 3.88Å; L30-L86 HydrophobicContact CD1-CD1 3.75Å; L30-L86 HydrophobicContact CD1-CD2 3.71Å; L30-L86 HydrophobicContact CD1-CG 4.34Å; L30-L86 HydrophobicContact CG-CD1 4.44Å; V82-L86 HydrophobicContact CG1-CB 3.94Å; V82-L86 HydrophobicContact CG1-CD2 4.16Å; V82-L86 VanDerWaalsContact O-CB 3.28Å; V82-L86 WeakPolarHBondContact O-CB 3.39Å; V82-L86 PolarHBondContact O-N 2.95Å; L86-N88 PolarHBondContact O-N 2.91Å; L86-N89 PolarHBondContact O-N 3.22Å; L86-L90 HydrophobicContact CG-CD1 4.08Å |
| 87 | F | 94.9 | Very high | 94.5 | Very high | 150 Ų | 150 | 86.6 Ų | 86.6 | 66% | 0.658 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -65 | -11.9 | -176 | -71.9 | -80.4 | 0 | 0 | 0 | 114.4 | K85 N89 L90 | K85-F87 PolarHBondContact O-N 3Å; F87-N89 VanDerWaalsContact C-N 3.26Å; F87-L90 HydrophobicContact CD1-CD1 4.3Å |
| 88 | N | 93.1 | Very high | 94.4 | Very high | 135 Ų | 135 | 91.2 Ų | 91.2 | 72% | 0.722 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -75.6 | -17.1 | 172.5 | -60.2 | -40.5 | 0 | 0 | 0 | 112.7 | H84 K85 L86 | H84-N88 PolarHBondContact O-ND2 3.35Å; K85-N88 WeakPolarHBondContact O-CB 3.33Å; K85-N88 PolarHBondContact O-N 3.39Å; L86-N88 PolarHBondContact O-N 2.91Å |
| 89 | N | 89.5 | Confident | 94.1 | Very high | 92 Ų | 92 | 96.7 Ų | 96.7 | 49% | 0.492 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -10.5 | 179.8 | -59.6 | -80.8 | 0 | 0 | 0 | 112.9 | P29 K85 L86 F87 | P29-N89 HydrophobicContact CB-CB 3.51Å; P29-N89 HydrophobicContact CG-CB 4.13Å; K85-N89 PolarHBondContact O-ND2 2.85Å; L86-N89 PolarHBondContact O-N 3.22Å; F87-N89 VanDerWaalsContact C-N 3.26Å |
| 90 | L | 90.4 | Very high | 93.8 | Very high | 85 Ų | 85 | 99.1 Ų | 99.1 | 45% | 0.445 | 49% | 0.489 | S | S | . | . | trans | -95.5 | 136.4 | 179.1 | -55.5 | 180 | 0 | 0 | 0 | 109 | L86 F87 | L86-L90 HydrophobicContact CG-CD1 4.08Å; F87-L90 HydrophobicContact CD1-CD1 4.3Å | ||
| 91 | K | 85 | Confident | 93.5 | Very high | 283 Ų | 283 | 97.2 Ų | 97.2 | 100% | 1.23 | 48% | 0.483 | S | S | * | . | trans | -100.8 | 0 | 175.7 | -72.5 | -177.7 | -177.9 | 168.7 | 0 | 111.5 |
Retrieved 91 of 91 residues in 535.8 ms
(Link to these results)