| 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 | 47.7 | Very low | 72.9 | Confident | 246 Ų | 246 | 123.2 Ų | 123.2 | 100% | 1.212 | 72% | 0.72 | S | S | * | * | 0 | 121.5 | 0 | -73.4 | -163.7 | -160.4 | 0 | 0 | 107.8 | |||||
| 2 | G | 58.6 | Low | 73.9 | Confident | 71 Ų | 71 | 123.6 Ų | 123.6 | 73% | 0.732 | 72% | 0.717 | S | S | * | * | trans | -60.1 | 148.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K4 | G2-K4 PolarHBondContact O-N 2.83Š| ||
| 3 | L | 60.5 | Low | 74.9 | Confident | 169 Ų | 169 | 124.7 Ų | 124.7 | 89% | 0.885 | 71% | 0.708 | S | S | * | * | trans | -53.3 | 109 | 168.7 | -79.9 | 139.9 | 0 | 0 | 0 | 108.2 | C5 | L3-C5 VanDerWaalsContact C-N 3.26Å; L3-C5 PolarHBondContact O-N 3.13Å | ||
| 4 | K | 66.1 | Low | 75.8 | Confident | 157 Ų | 157 | 118.6 Ų | 118.6 | 68% | 0.683 | 69% | 0.687 | S | S | * | * | trans | -66.8 | 92.8 | 166.6 | -83 | 176.5 | 176.5 | 171.4 | 0 | 106.2 | G2 K16 | G2-K4 PolarHBondContact O-N 2.83Å; K4-K16 WeakPolarHBondContact O-CE 3.35Å; K4-K16 PolarHBondContact O-NZ 2.94Å | ||
| 5 | C | 67.3 | Low | 76.5 | Confident | 83 Ų | 83 | 120 Ų | 120 | 56% | 0.561 | 68% | 0.684 | S | S | * | * | trans | -65.8 | 158.5 | 172.2 | -60.4 | 0 | 0 | 0 | 0 | 110 | L3 I7 | L3-C5 VanDerWaalsContact C-N 3.26Å; L3-C5 PolarHBondContact O-N 3.13Å; C5-I7 HydrophobicContact CB-CG1 4.48Å; C5-I7 PolarHBondContact O-N 3.43Å | ||
| 6 | E | 75.6 | Confident | 76.9 | Confident | 104 Ų | 104 | 119.9 Ų | 119.9 | 49% | 0.486 | 67% | 0.674 | S | S | . | * | trans | -73.4 | 109.6 | 166.7 | -56.6 | -160.5 | 144.9 | 0 | 0 | 107.4 | H15 K16 | E6-H15 VanDerWaalsContact CD-ND1 3.28Å; E6-H15 IonicContact OE1-CE1 3.51Å; E6-H15 IonicContact OE1-CG 3.82Å; E6-H15 IonicContact OE1-ND1 2.94Å; E6-H15 PolarHBondContact OE1-ND1 3.12Å; E6-H15 IonicContact OE2-CE1 3.78Å; E6-H15 IonicContact OE2-CG 3.89Å; E6-H15 IonicContact OE2-ND1 2.88Å; E6-H15 PolarHBondContact OE2-ND1 3.36Å; E6-K16 HydrophobicContact CG-CG 4.38Å; E6-K16 PolarHBondContact OE1-N 2.93Å | ||
| 7 | I | 83 | Confident | 77.6 | Confident | 92 Ų | 92 | 118.8 Ų | 118.8 | 47% | 0.472 | 67% | 0.67 | S | S | . | * | B | Isolated β-bridge | trans | -103.7 | 137.5 | -176 | -52.3 | 168.4 | 0 | 0 | 0 | 107.6 | C5 V9 K13 G14 | C5-I7 HydrophobicContact CB-CG1 4.48Å; C5-I7 PolarHBondContact O-N 3.43Å; I7-V9 VanDerWaalsContact C-N 3.28Å; I7-V9 HydrophobicContact CG2-CG2 4.1Å; I7-V9 WeakPolarHBondContact CG2-O 3.32Å; I7-V9 PolarHBondContact O-N 3.26Å; I7-K13 WeakPolarHBondContact O-CA 3.46Å; I7-K13 VanDerWaalsContact O-CB 3.29Å; I7-K13 WeakPolarHBondContact O-CB 3.18Å; I7-G14 PolarHBondContact O-N 2.99Å; I7-G14 VanDerWaalsContact O-N 3.12Å |
| 8 | A | 82.5 | Confident | 78.3 | Confident | 90 Ų | 90 | 119.3 Ų | 119.3 | 74% | 0.744 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -73.8 | -20.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 9 | V | 87.4 | Confident | 79 | Confident | 110 Ų | 110 | 123.6 Ų | 123.6 | 67% | 0.667 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -128.1 | 158.7 | -175.6 | -63.7 | 0 | 0 | 0 | 0 | 112 | I7 | I7-V9 VanDerWaalsContact C-N 3.28Å; I7-V9 HydrophobicContact CG2-CG2 4.1Å; I7-V9 WeakPolarHBondContact CG2-O 3.32Å; I7-V9 PolarHBondContact O-N 3.26Å |
| 10 | G | 86.4 | Confident | 79.6 | Confident | 52 Ų | 52 | 124.8 Ų | 124.8 | 54% | 0.536 | 69% | 0.691 | S | S | . | * | S | Bend | trans | 96.6 | -177.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K13 | G10-K13 WeakPolarHBondContact O-CB 3.48Å; G10-K13 WeakPolarHBondContact O-CD 3.45Å; G10-K13 WeakPolarHBondContact O-CG 3.48Å; G10-K13 PolarHBondContact O-N 2.86Å |
| 11 | L | 87.4 | Confident | 80.1 | Confident | 181 Ų | 181 | 125.2 Ų | 125.2 | 95% | 0.948 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -34 | -174.8 | -67.1 | 172.7 | 0 | 0 | 0 | 113.2 | K13 | L11-K13 VanDerWaalsContact C-N 3.31Å; L11-K13 PolarHBondContact O-N 3.26Å |
| 12 | N | 84.6 | Confident | 82 | Confident | 128 Ų | 128 | 124.5 Ų | 124.5 | 68% | 0.684 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 27.6 | -179.7 | -63.9 | -43.8 | 0 | 0 | 0 | 112.3 | ||
| 13 | K | 86.7 | Confident | 83.5 | Confident | 138 Ų | 138 | 128.6 Ų | 128.6 | 60% | 0.6 | 68% | 0.683 | S | S | * | * | B | Isolated β-bridge | trans | -73 | 160.1 | -177.2 | 69.6 | -178 | 177.8 | 175.4 | 0 | 113.1 | I7 G10 L11 | I7-K13 WeakPolarHBondContact O-CA 3.46Å; I7-K13 VanDerWaalsContact O-CB 3.29Å; I7-K13 WeakPolarHBondContact O-CB 3.18Å; G10-K13 WeakPolarHBondContact O-CB 3.48Å; G10-K13 WeakPolarHBondContact O-CD 3.45Å; G10-K13 WeakPolarHBondContact O-CG 3.48Å; G10-K13 PolarHBondContact O-N 2.86Å; L11-K13 VanDerWaalsContact C-N 3.31Å; L11-K13 PolarHBondContact O-N 3.26Å |
| 14 | G | 87 | Confident | 84.9 | Confident | 40 Ų | 40 | 129.2 Ų | 129.2 | 41% | 0.412 | 68% | 0.679 | S | S | . | * | S | Bend | trans | 97.2 | 169.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | I7 | I7-G14 PolarHBondContact O-N 2.99Å; I7-G14 VanDerWaalsContact O-N 3.12Å |
| 15 | H | 87.1 | Confident | 86.2 | Confident | 139 Ų | 139 | 128 Ų | 128 | 64% | 0.644 | 67% | 0.673 | S | S | * | * | trans | -67.9 | 132.1 | -179.7 | -174.1 | 56.3 | 0 | 0 | 0 | 110.7 | E6 V17 | E6-H15 VanDerWaalsContact CD-ND1 3.28Å; E6-H15 IonicContact OE1-CE1 3.51Å; E6-H15 IonicContact OE1-CG 3.82Å; E6-H15 IonicContact OE1-ND1 2.94Å; E6-H15 PolarHBondContact OE1-ND1 3.12Å; E6-H15 IonicContact OE2-CE1 3.78Å; E6-H15 IonicContact OE2-CG 3.89Å; E6-H15 IonicContact OE2-ND1 2.88Å; E6-H15 PolarHBondContact OE2-ND1 3.36Å; H15-V17 VanDerWaalsContact CD2-CG2 3.45Å; H15-V17 WeakPolarHBondContact CD2-CG2 3.42Å; H15-V17 PolarHBondContact O-N 3.2Å | ||
| 16 | K | 83.2 | Confident | 87.4 | Confident | 118 Ų | 118 | 129.1 Ų | 129.1 | 51% | 0.513 | 68% | 0.68 | S | S | . | * | trans | -78.2 | 95.2 | -176.6 | -68.2 | -178.6 | -174.6 | 174.3 | 0 | 110.3 | K4 E6 | K4-K16 WeakPolarHBondContact O-CE 3.35Å; K4-K16 PolarHBondContact O-NZ 2.94Å; E6-K16 HydrophobicContact CG-CG 4.38Å; E6-K16 PolarHBondContact OE1-N 2.93Å | ||
| 17 | V | 88.2 | Confident | 88.3 | Confident | 102 Ų | 102 | 128.1 Ų | 128.1 | 62% | 0.618 | 68% | 0.684 | S | S | * | * | trans | -104.4 | 136.9 | 174.9 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | H15 K19 | H15-V17 VanDerWaalsContact CD2-CG2 3.45Å; H15-V17 WeakPolarHBondContact CD2-CG2 3.42Å; H15-V17 PolarHBondContact O-N 3.2Å; V17-K19 PolarHBondContact O-N 3.41Å | ||
| 18 | T | 90.3 | Very high | 88.8 | Confident | 127 Ų | 127 | 129.4 Ų | 129.4 | 78% | 0.779 | 69% | 0.692 | S | S | * | * | trans | -68.2 | 112.4 | 169.1 | -52.4 | 0 | 0 | 0 | 0 | 109.6 | L20 | T18-L20 PolarHBondContact O-N 3.25Š| ||
| 19 | K | 91 | Very high | 89.1 | Confident | 202 Ų | 202 | 129.1 Ų | 129.1 | 88% | 0.878 | 68% | 0.681 | S | S | * | * | trans | -69.9 | 121.3 | -180 | -67.2 | -175.8 | -178.7 | 176.2 | 0 | 110.7 | V17 | V17-K19 PolarHBondContact O-N 3.41Š| ||
| 20 | L | 90.6 | Very high | 89.4 | Confident | 147 Ų | 147 | 133.2 Ų | 133.2 | 77% | 0.77 | 69% | 0.69 | S | S | * | * | trans | -76 | 135.3 | 170.2 | -68.7 | 99 | 0 | 0 | 0 | 111.1 | T18 R22 | T18-L20 PolarHBondContact O-N 3.25Å; L20-R22 PolarHBondContact O-N 2.9Å; L20-R22 VanDerWaalsContact O-N 3.15Å | ||
| 21 | P | 90.1 | Very high | 89.6 | Confident | 133 Ų | 133 | 134.6 Ų | 134.6 | 86% | 0.864 | 70% | 0.704 | S | S | * | * | trans | -66.7 | 114 | 172.5 | 27.9 | -32.7 | 0 | 0 | 0 | 109.6 | ||||
| 22 | R | 89.1 | Confident | 89.8 | Confident | 232 Ų | 232 | 135.7 Ų | 135.7 | 88% | 0.875 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 134 | 176.3 | -66.2 | -178.3 | 176.2 | 175.9 | -2.3 | 110 | L20 | L20-R22 PolarHBondContact O-N 2.9Å; L20-R22 VanDerWaalsContact O-N 3.15Å |
| 23 | H | 88.6 | Confident | 90.3 | Very high | 156 Ų | 156 | 134.2 Ų | 134.2 | 72% | 0.722 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 144.5 | 169.9 | 67.3 | -95.4 | 0 | 0 | 0 | 110.1 | K25 | H23-K25 PolarHBondContact O-N 3.2Š|
| 24 | K | 90.9 | Very high | 90.6 | Very high | 183 Ų | 183 | 132.4 Ų | 132.4 | 80% | 0.796 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 120.5 | 177.6 | -69.4 | 178.7 | -178.2 | 174.2 | 0 | 108.8 | ||
| 25 | K | 93.2 | Very high | 91.1 | Very high | 132 Ų | 132 | 140 Ų | 140 | 57% | 0.574 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 141.9 | 175.1 | -65.3 | -174.4 | 175.8 | -172.9 | 0 | 110.4 | H23 S27 N28 | H23-K25 PolarHBondContact O-N 3.2Å; K25-S27 PolarHBondContact O-N 3.45Å; K25-S27 VanDerWaalsContact O-N 3.14Å; K25-N28 WeakPolarHBondContact O-CB 3.37Å; K25-N28 PolarHBondContact O-N 3.5Å |
| 26 | P | 92.7 | Very high | 91.5 | Very high | 106 Ų | 106 | 143.3 Ų | 143.3 | 69% | 0.688 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -53.8 | -33.9 | 175.7 | -28.5 | 35.6 | 0 | 0 | 0 | 113.4 | N28 T29 | P26-N28 PolarHBondContact O-N 3.28Å; P26-T29 WeakPolarHBondContact O-CB 3.48Å; P26-T29 PolarHBondContact O-N 3.46Å; P26-T29 PolarHBondContact O-OG1 3.22Å |
| 27 | S | 94.4 | Very high | 92.1 | Very high | 82 Ų | 82 | 140.5 Ų | 140.5 | 57% | 0.573 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -56.8 | -29.9 | 175.5 | 56 | 0 | 0 | 0 | 0 | 113.8 | K25 T29 K30 | K25-S27 PolarHBondContact O-N 3.45Å; K25-S27 VanDerWaalsContact O-N 3.14Å; S27-T29 PolarHBondContact O-N 2.9Å; S27-K30 WeakPolarHBondContact O-CB 3.46Å; S27-K30 PolarHBondContact O-N 3.37Å |
| 28 | N | 92.6 | Very high | 92.5 | Very high | 119 Ų | 119 | 140.8 Ų | 140.8 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -73.6 | -13.1 | 177.8 | -63.9 | -13.6 | 0 | 0 | 0 | 112.9 | K25 P26 | K25-N28 WeakPolarHBondContact O-CB 3.37Å; K25-N28 PolarHBondContact O-N 3.5Å; P26-N28 PolarHBondContact O-N 3.28Å |
| 29 | T | 90.3 | Very high | 92.8 | Very high | 85 Ų | 85 | 141.2 Ų | 141.2 | 52% | 0.521 | 69% | 0.689 | S | S | . | * | G | 310 helix | trans | -87.6 | -8.9 | 178.4 | 71.3 | 0 | 0 | 0 | 0 | 112.9 | P26 S27 G31 R32 | P26-T29 WeakPolarHBondContact O-CB 3.48Å; P26-T29 PolarHBondContact O-N 3.46Å; P26-T29 PolarHBondContact O-OG1 3.22Å; S27-T29 PolarHBondContact O-N 2.9Å; T29-G31 PolarHBondContact O-N 2.97Å; T29-R32 WeakPolarHBondContact O-CB 3.16Å; T29-R32 PolarHBondContact O-N 3.29Å |
| 30 | K | 92.5 | Very high | 93.1 | Very high | 195 Ų | 195 | 135.2 Ų | 135.2 | 85% | 0.848 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | 126.1 | 177.9 | -173.6 | 174.3 | -179 | 175.7 | 0 | 110.6 | S27 | S27-K30 WeakPolarHBondContact O-CB 3.46Å; S27-K30 PolarHBondContact O-N 3.37Å |
| 31 | G | 90.8 | Very high | 93.3 | Very high | 81 Ų | 81 | 136 Ų | 136 | 84% | 0.835 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.9 | -5.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | T29 | T29-G31 PolarHBondContact O-N 2.97Š|
| 32 | R | 92.6 | Very high | 93.5 | Very high | 204 Ų | 204 | 133.8 Ų | 133.8 | 77% | 0.77 | 64% | 0.643 | S | S | * | * | trans | -65.3 | 138.5 | 168.8 | -170.1 | 175.9 | -177.6 | -178 | 0.5 | 110 | T29 N34 | T29-R32 WeakPolarHBondContact O-CB 3.16Å; T29-R32 PolarHBondContact O-N 3.29Å; R32-N34 PolarHBondContact O-N 3.25Å | ||
| 33 | L | 93.4 | Very high | 93.9 | Very high | 97 Ų | 97 | 125.9 Ų | 125.9 | 51% | 0.508 | 62% | 0.617 | S | S | . | * | trans | -76.6 | 114.3 | 178.6 | -173.8 | 68.3 | 0 | 0 | 0 | 110.4 | V37 K38 | L33-V37 HydrophobicContact CD1-CG1 4.23Å; L33-K38 HydrophobicContact CD1-CB 4.08Å; L33-K38 HydrophobicContact CD2-CB 4Å; L33-K38 HydrophobicContact CD2-CD 4.14Å; L33-K38 HydrophobicContact CD2-CG 4.05Å; L33-K38 HydrophobicContact CG-CB 4.01Å | ||
| 34 | N | 94.4 | Very high | 94.2 | Very high | 100 Ų | 100 | 122.1 Ų | 122.1 | 54% | 0.535 | 61% | 0.605 | S | S | . | * | trans | -85.6 | 152.4 | 173.2 | -71.9 | -6.7 | 0 | 0 | 0 | 111 | R32 R36 V37 K38 | R32-N34 PolarHBondContact O-N 3.25Å; N34-R36 PolarHBondContact O-N 3.46Å; N34-V37 HydrophobicContact CB-CB 4.36Å; N34-V37 HydrophobicContact CB-CG2 4.11Å; N34-V37 PolarHBondContact O-N 3.22Å; N34-V37 VanDerWaalsContact O-N 3.12Å; N34-K38 PolarHBondContact O-N 3.26Å | ||
| 35 | K | 96.3 | Very high | 94.4 | Very high | 199 Ų | 199 | 117 Ų | 117 | 87% | 0.865 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -53.3 | -48.9 | 178.9 | -67 | -175.8 | -179.9 | -178.9 | 0 | 112.3 | V37 K38 F39 | K35-V37 PolarHBondContact O-N 3.48Å; K35-K38 PolarHBondContact O-N 3.11Å; K35-F39 PolarHBondContact O-N 3.46Å |
| 36 | R | 96.8 | Very high | 94.4 | Very high | 210 Ų | 210 | 118.8 Ų | 118.8 | 79% | 0.792 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.4 | -44.9 | 176.5 | -175.9 | 179.4 | 177.8 | -173.7 | 0.5 | 112.5 | N34 K38 F39 V40 | N34-R36 PolarHBondContact O-N 3.46Å; R36-K38 VanDerWaalsContact C-N 3.35Å; R36-F39 PolarHBondContact O-N 3.1Å; R36-V40 WeakPolarHBondContact O-CG2 3.33Å; R36-V40 PolarHBondContact O-N 3.02Å |
| 37 | V | 95.9 | Very high | 94.6 | Very high | 58 Ų | 58 | 120.1 Ų | 120.1 | 35% | 0.352 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.2 | -38 | -178.9 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | L33 N34 K35 R41 | L33-V37 HydrophobicContact CD1-CG1 4.23Å; N34-V37 HydrophobicContact CB-CB 4.36Å; N34-V37 HydrophobicContact CB-CG2 4.11Å; N34-V37 PolarHBondContact O-N 3.22Å; N34-V37 VanDerWaalsContact O-N 3.12Å; K35-V37 PolarHBondContact O-N 3.48Å; V37-R41 HydrophobicContact CG1-CG 4.47Å; V37-R41 WeakPolarHBondContact O-CB 3.32Å; V37-R41 VanDerWaalsContact O-CG 3.26Å; V37-R41 WeakPolarHBondContact O-CG 3.46Å; V37-R41 PolarHBondContact O-N 3.49Å |
| 38 | K | 95.9 | Very high | 94.7 | Very high | 109 Ų | 109 | 121.1 Ų | 121.1 | 47% | 0.474 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60.1 | -52.5 | 173.8 | -175 | -177.1 | 174.2 | -169.8 | 0 | 110.8 | L33 N34 K35 R36 V40 R41 D42 | L33-K38 HydrophobicContact CD1-CB 4.08Å; L33-K38 HydrophobicContact CD2-CB 4Å; L33-K38 HydrophobicContact CD2-CD 4.14Å; L33-K38 HydrophobicContact CD2-CG 4.05Å; L33-K38 HydrophobicContact CG-CB 4.01Å; N34-K38 PolarHBondContact O-N 3.26Å; K35-K38 PolarHBondContact O-N 3.11Å; R36-K38 VanDerWaalsContact C-N 3.35Å; K38-V40 VanDerWaalsContact C-N 3.35Å; K38-V40 PolarHBondContact O-N 3.34Å; K38-R41 PolarHBondContact O-N 3.22Å; K38-R41 VanDerWaalsContact O-N 3.08Å; K38-D42 WeakPolarHBondContact CG-OD2 3.49Å; K38-D42 VanDerWaalsContact O-CG 3.28Å; K38-D42 PolarHBondContact O-N 3.05Å |
| 39 | F | 96.5 | Very high | 94.7 | Very high | 136 Ų | 136 | 116.8 Ų | 116.8 | 60% | 0.596 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -55 | -47.8 | 179.8 | 179.9 | -110.3 | 0 | 0 | 0 | 112.5 | K35 R36 R41 D42 I43 | K35-F39 PolarHBondContact O-N 3.46Å; R36-F39 PolarHBondContact O-N 3.1Å; F39-R41 VanDerWaalsContact C-N 3.35Å; F39-R41 PolarHBondContact O-N 3.05Å; F39-D42 PolarHBondContact O-N 3.01Å; F39-I43 HydrophobicContact CD1-CD1 3.88Å; F39-I43 HydrophobicContact CD2-CD1 4.43Å; F39-I43 HydrophobicContact CE1-CD1 3.42Å; F39-I43 VanDerWaalsContact CE1-CD1 3.42Å; F39-I43 HydrophobicContact CE2-CD1 4.03Å; F39-I43 HydrophobicContact CG-CD1 4.38Å; F39-I43 HydrophobicContact CZ-CD1 3.52Å; F39-I43 HydrophobicContact CZ-CG1 4.46Å; F39-I43 WeakPolarHBondContact O-CG1 3.49Å; F39-I43 PolarHBondContact O-N 2.89Å; F39-I43 VanDerWaalsContact O-N 3.1Å |
| 40 | V | 96.7 | Very high | 95 | Very high | 76 Ų | 76 | 115.2 Ų | 115.2 | 46% | 0.461 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62 | -41 | 177.2 | 174 | 0 | 0 | 0 | 0 | 111.8 | R36 K38 I43 V44 | R36-V40 WeakPolarHBondContact O-CG2 3.33Å; R36-V40 PolarHBondContact O-N 3.02Å; K38-V40 VanDerWaalsContact C-N 3.35Å; K38-V40 PolarHBondContact O-N 3.34Å; V40-I43 PolarHBondContact O-N 3.15Å; V40-V44 HydrophobicContact CG1-CG2 4.5Å; V40-V44 VanDerWaalsContact O-CG2 3.31Å; V40-V44 WeakPolarHBondContact O-CG2 3.31Å; V40-V44 PolarHBondContact O-N 3.26Å |
| 41 | R | 95.8 | Very high | 95.1 | Very high | 162 Ų | 162 | 107.5 Ų | 107.5 | 61% | 0.611 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.7 | -37.5 | 178.5 | -74.7 | 176.4 | -178.1 | -166.2 | 1.5 | 112.6 | V37 K38 F39 R45 | V37-R41 HydrophobicContact CG1-CG 4.47Å; V37-R41 WeakPolarHBondContact O-CB 3.32Å; V37-R41 VanDerWaalsContact O-CG 3.26Å; V37-R41 WeakPolarHBondContact O-CG 3.46Å; V37-R41 PolarHBondContact O-N 3.49Å; K38-R41 PolarHBondContact O-N 3.22Å; K38-R41 VanDerWaalsContact O-N 3.08Å; F39-R41 VanDerWaalsContact C-N 3.35Å; F39-R41 PolarHBondContact O-N 3.05Å; R41-R45 WeakPolarHBondContact O-CB 3.28Å; R41-R45 PolarHBondContact O-N 2.84Å |
| 42 | D | 94.4 | Very high | 95.3 | Very high | 88 Ų | 88 | 108.6 Ų | 108.6 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.1 | -44.4 | 178.7 | -65.5 | -17.4 | 0 | 0 | 0 | 110 | K38 F39 R45 E46 | K38-D42 WeakPolarHBondContact CG-OD2 3.49Å; K38-D42 VanDerWaalsContact O-CG 3.28Å; K38-D42 PolarHBondContact O-N 3.05Å; F39-D42 PolarHBondContact O-N 3.01Å; D42-R45 PolarHBondContact O-N 2.88Å; D42-E46 PolarHBondContact O-N 3.43Å |
| 43 | I | 96.6 | Very high | 95.5 | Very high | 66 Ų | 66 | 101.9 Ų | 101.9 | 34% | 0.338 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.7 | -49 | 174.1 | -67.8 | 168.9 | 0 | 0 | 0 | 111.8 | F39 V40 R45 E46 I47 | F39-I43 HydrophobicContact CD1-CD1 3.88Å; F39-I43 HydrophobicContact CD2-CD1 4.43Å; F39-I43 HydrophobicContact CE1-CD1 3.42Å; F39-I43 VanDerWaalsContact CE1-CD1 3.42Å; F39-I43 HydrophobicContact CE2-CD1 4.03Å; F39-I43 HydrophobicContact CG-CD1 4.38Å; F39-I43 HydrophobicContact CZ-CD1 3.52Å; F39-I43 HydrophobicContact CZ-CG1 4.46Å; F39-I43 WeakPolarHBondContact O-CG1 3.49Å; F39-I43 PolarHBondContact O-N 2.89Å; F39-I43 VanDerWaalsContact O-N 3.1Å; V40-I43 PolarHBondContact O-N 3.15Å; I43-R45 PolarHBondContact O-N 3.11Å; I43-E46 WeakPolarHBondContact O-CB 3.32Å; I43-E46 PolarHBondContact O-N 3.4Å; I43-E46 VanDerWaalsContact O-N 3.14Å; I43-I47 HydrophobicContact CG2-CD1 3.71Å; I43-I47 HydrophobicContact CG2-CG1 4.43Å; I43-I47 WeakPolarHBondContact O-CG1 3.47Å; I43-I47 PolarHBondContact O-N 3.44Å |
| 44 | V | 96.2 | Very high | 95.6 | Very high | 76 Ų | 76 | 97.5 Ų | 97.5 | 46% | 0.461 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62 | -36.5 | 179.8 | 172.2 | 0 | 0 | 0 | 0 | 111 | V40 E46 I47 C48 | V40-V44 HydrophobicContact CG1-CG2 4.5Å; V40-V44 VanDerWaalsContact O-CG2 3.31Å; V40-V44 WeakPolarHBondContact O-CG2 3.31Å; V40-V44 PolarHBondContact O-N 3.26Å; V44-E46 VanDerWaalsContact C-N 3.33Å; V44-I47 PolarHBondContact O-N 3.37Å; V44-C48 WeakPolarHBondContact O-CB 3.39Å; V44-C48 PolarHBondContact O-N 3.47Å |
| 45 | R | 94.6 | Very high | 95.6 | Very high | 76 Ų | 76 | 98.2 Ų | 98.2 | 29% | 0.287 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.1 | -35.1 | 177.1 | -179.9 | 63.3 | 88.4 | 174.7 | 12.9 | 112 | R41 D42 I43 G49 E54 E89 | R41-R45 WeakPolarHBondContact O-CB 3.28Å; R41-R45 PolarHBondContact O-N 2.84Å; D42-R45 PolarHBondContact O-N 2.88Å; I43-R45 PolarHBondContact O-N 3.11Å; R45-G49 PolarHBondContact NH1-O 3.14Å; R45-G49 VanDerWaalsContact O-CA 3.3Å; R45-G49 WeakPolarHBondContact O-CA 3.44Å; R45-G49 PolarHBondContact O-N 2.92Å; R45-E54 IonicContact CZ-OE1 2.79Å; R45-E54 IonicContact CZ-OE2 3.67Å; R45-E54 IonicContact NH1-OE1 2.73Å; R45-E54 PolarHBondContact NH1-OE1 2.94Å; R45-E54 IonicContact NH1-OE2 3.8Å; R45-E54 PolarHBondContact NH1-OE2 3.06Å; R45-E54 IonicContact NH2-OE1 3.46Å; R45-E54 PolarHBondContact NH2-OE1 3.15Å; R45-E54 IonicContact NH2-OE2 2.93Å; R45-E89 IonicContact CZ-OE1 3.72Å; R45-E89 IonicContact NH2-OE1 3.75Å; R45-E89 PolarHBondContact NH2-OE1 3.08Å |
| 46 | E | 93.4 | Very high | 95.6 | Very high | 169 Ų | 169 | 94.2 Ų | 94.2 | 79% | 0.79 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -66.6 | -46.6 | 174.3 | -172.4 | 176.4 | 168.9 | 0 | 0 | 111.6 | D42 I43 V44 | D42-E46 PolarHBondContact O-N 3.43Å; I43-E46 WeakPolarHBondContact O-CB 3.32Å; I43-E46 PolarHBondContact O-N 3.4Å; I43-E46 VanDerWaalsContact O-N 3.14Å; V44-E46 VanDerWaalsContact C-N 3.33Å |
| 47 | I | 97 | Very high | 95.5 | Very high | 134 Ų | 134 | 84.2 Ų | 84.2 | 69% | 0.687 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -70.7 | -48.8 | -177.9 | -62.7 | 169.6 | 0 | 0 | 0 | 111.9 | I43 V44 | I43-I47 HydrophobicContact CG2-CD1 3.71Å; I43-I47 HydrophobicContact CG2-CG1 4.43Å; I43-I47 WeakPolarHBondContact O-CG1 3.47Å; I43-I47 PolarHBondContact O-N 3.44Å; V44-I47 PolarHBondContact O-N 3.37Å |
| 48 | C | 96.1 | Very high | 95.5 | Very high | 103 Ų | 103 | 82.3 Ų | 82.3 | 70% | 0.696 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -83.3 | -23.3 | -175.1 | -62.2 | 0 | 0 | 0 | 0 | 113.4 | V44 | V44-C48 WeakPolarHBondContact O-CB 3.39Å; V44-C48 PolarHBondContact O-N 3.47Å |
| 49 | G | 93.6 | Very high | 95.5 | Very high | 28 Ų | 28 | 81.4 Ų | 81.4 | 29% | 0.289 | 41% | 0.408 | S | S | . | . | trans | 69.2 | -145.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R45 | R45-G49 PolarHBondContact NH1-O 3.14Å; R45-G49 VanDerWaalsContact O-CA 3.3Å; R45-G49 WeakPolarHBondContact O-CA 3.44Å; R45-G49 PolarHBondContact O-N 2.92Å | ||
| 50 | F | 94.8 | Very high | 95.5 | Very high | 52 Ų | 52 | 75.3 Ų | 75.3 | 23% | 0.228 | 38% | 0.382 | C | S | . | . | trans | -106.9 | 137.6 | -175.4 | -66.5 | -73.9 | 0 | 0 | 0 | 112.6 | E54 K55 M58 V93 | F50-E54 HydrophobicContact CB-CB 4.19Å; F50-E54 HydrophobicContact CD1-CB 4.22Å; F50-K55 HydrophobicContact CB-CG 3.95Å; F50-K55 VanDerWaalsContact O-CE 3.26Å; F50-K55 WeakPolarHBondContact O-CE 3.48Å; F50-M58 HydrophobicContact CB-CE 3.67Å; F50-M58 HydrophobicContact CD1-CE 4.06Å; F50-M58 HydrophobicContact CD1-SD 4.43Å; F50-M58 HydrophobicContact CD2-CE 3.55Å; F50-M58 HydrophobicContact CD2-SD 4.11Å; F50-M58 HydrophobicContact CE2-CE 4.24Å; F50-M58 HydrophobicContact CE2-SD 4.2Å; F50-M58 HydrophobicContact CG-CE 3.45Å; F50-M58 VanDerWaalsContact CG-CE 3.45Å; F50-M58 HydrophobicContact CG-SD 4.24Å; F50-M58 HydrophobicContact CZ-SD 4.44Å; F50-V93 HydrophobicContact CE1-CG1 4.16Å; F50-V93 HydrophobicContact CE1-CG2 4.08Å; F50-V93 HydrophobicContact CE2-CG1 4.01Å; F50-V93 HydrophobicContact CZ-CB 4.24Å; F50-V93 HydrophobicContact CZ-CG1 3.38Å; F50-V93 HydrophobicContact CZ-CG2 3.92Å | ||
| 51 | A | 94.8 | Very high | 95.4 | Very high | 33 Ų | 33 | 72.3 Ų | 72.3 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | trans | -68.8 | 158.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y53 E54 K55 | A51-Y53 VanDerWaalsContact C-N 3.28Å; A51-Y53 HydrophobicContact CB-CD1 3.7Å; A51-Y53 HydrophobicContact CB-CE1 3.38Å; A51-Y53 PolarHBondContact O-N 2.97Å; A51-Y53 VanDerWaalsContact O-N 3.15Å; A51-E54 HydrophobicContact CB-CG 4.3Å; A51-E54 PolarHBondContact N-OE2 2.75Å; A51-E54 WeakPolarHBondContact O-CA 3.48Å; A51-E54 WeakPolarHBondContact O-CB 3.42Å; A51-E54 PolarHBondContact O-N 3.46Å; A51-K55 PolarHBondContact O-N 3.12Å | ||
| 52 | P | 96.5 | Very high | 95.3 | Very high | 104 Ų | 104 | 71.7 Ų | 71.7 | 68% | 0.675 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -56.2 | -36.3 | -176.6 | -28 | 35.2 | 0 | 0 | 0 | 114.7 | K55 R56 | P52-K55 PolarHBondContact O-N 3.1Å; P52-R56 PolarHBondContact O-N 3.14Å |
| 53 | Y | 95.5 | Very high | 95.3 | Very high | 63 Ų | 63 | 73.2 Ų | 73.2 | 25% | 0.247 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -73.4 | -29.2 | 177.2 | 72.8 | -87.4 | 0 | 0 | 0 | 112.8 | A51 T57 L73 I77 | A51-Y53 VanDerWaalsContact C-N 3.28Å; A51-Y53 HydrophobicContact CB-CD1 3.7Å; A51-Y53 HydrophobicContact CB-CE1 3.38Å; A51-Y53 PolarHBondContact O-N 2.97Å; A51-Y53 VanDerWaalsContact O-N 3.15Å; Y53-T57 WeakPolarHBondContact O-CB 3.26Å; Y53-T57 PolarHBondContact O-N 3.39Å; Y53-T57 VanDerWaalsContact O-N 3.15Å; Y53-T57 PolarHBondContact O-OG1 3.35Å; Y53-L73 HydrophobicContact CD2-CD2 4.42Å; Y53-I77 HydrophobicContact CE2-CD1 4.21Å; Y53-I77 HydrophobicContact CE2-CG1 4.4Å |
| 54 | E | 95 | Very high | 95.1 | Very high | 5 Ų | 5 | 74.5 Ų | 74.5 | 2% | 0.023 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -71.2 | -42.6 | 173.7 | -62 | -178.5 | 130.1 | 0 | 0 | 109.4 | R45 F50 A51 R56 T57 M58 K86 I90 | R45-E54 IonicContact CZ-OE1 2.79Å; R45-E54 IonicContact CZ-OE2 3.67Å; R45-E54 IonicContact NH1-OE1 2.73Å; R45-E54 PolarHBondContact NH1-OE1 2.94Å; R45-E54 IonicContact NH1-OE2 3.8Å; R45-E54 PolarHBondContact NH1-OE2 3.06Å; R45-E54 IonicContact NH2-OE1 3.46Å; R45-E54 PolarHBondContact NH2-OE1 3.15Å; R45-E54 IonicContact NH2-OE2 2.93Å; F50-E54 HydrophobicContact CB-CB 4.19Å; F50-E54 HydrophobicContact CD1-CB 4.22Å; A51-E54 HydrophobicContact CB-CG 4.3Å; A51-E54 PolarHBondContact N-OE2 2.75Å; A51-E54 WeakPolarHBondContact O-CA 3.48Å; A51-E54 WeakPolarHBondContact O-CB 3.42Å; A51-E54 PolarHBondContact O-N 3.46Å; E54-R56 PolarHBondContact O-N 3.35Å; E54-T57 CarbonylContact O-C 3.59Å; E54-T57 WeakPolarHBondContact O-CB 3.34Å; E54-T57 PolarHBondContact O-N 2.94Å; E54-T57 VanDerWaalsContact O-N 3.1Å; E54-M58 WeakPolarHBondContact O-CG 3.33Å; E54-M58 PolarHBondContact O-N 3.04Å; E54-K86 IonicContact OE1-NZ 2.86Å; E54-K86 PolarHBondContact OE1-NZ 3.3Å; E54-I90 HydrophobicContact CB-CD1 4.16Å; E54-I90 HydrophobicContact CG-CD1 4.34Å |
| 55 | K | 95.3 | Very high | 95 | Very high | 116 Ų | 116 | 77.2 Ų | 77.2 | 50% | 0.504 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -56.7 | -49.6 | 173.2 | -67.8 | -178.8 | 177.9 | 178.3 | 0 | 112.6 | F50 A51 P52 T57 M58 E59 | F50-K55 HydrophobicContact CB-CG 3.95Å; F50-K55 VanDerWaalsContact O-CE 3.26Å; F50-K55 WeakPolarHBondContact O-CE 3.48Å; A51-K55 PolarHBondContact O-N 3.12Å; P52-K55 PolarHBondContact O-N 3.1Å; K55-T57 PolarHBondContact O-N 3.23Å; K55-M58 HydrophobicContact CB-CE 4.25Å; K55-M58 HydrophobicContact CG-CE 3.88Å; K55-M58 WeakPolarHBondContact O-CB 3.42Å; K55-M58 PolarHBondContact O-N 3.33Å; K55-M58 VanDerWaalsContact O-N 3.11Å; K55-E59 PolarHBondContact O-N 3.27Å |
| 56 | R | 95.8 | Very high | 95 | Very high | 114 Ų | 114 | 76.6 Ų | 76.6 | 43% | 0.43 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.8 | -34.9 | 175.3 | -176.1 | 53.1 | 166.4 | -171.5 | -5.8 | 112.9 | P52 E54 E59 L60 Y72 | P52-R56 PolarHBondContact O-N 3.14Å; E54-R56 PolarHBondContact O-N 3.35Å; R56-E59 WeakPolarHBondContact CD-OE2 3.34Å; R56-E59 IonicContact CZ-OE2 3.77Å; R56-E59 IonicContact NE-OE2 3.92Å; R56-E59 IonicContact NH1-OE2 2.83Å; R56-E59 PolarHBondContact NH1-OE2 3.37Å; R56-L60 WeakPolarHBondContact O-CG 3.43Å; R56-L60 PolarHBondContact O-N 3.01Å; R56-Y72 HydrophobicContact CB-CE1 3.84Å; R56-Y72 HydrophobicContact CG-CD1 4.35Å; R56-Y72 HydrophobicContact CG-CD2 4.41Å; R56-Y72 HydrophobicContact CG-CE1 3.8Å; R56-Y72 HydrophobicContact CG-CE2 3.86Å |
| 57 | T | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -71.8 | -39.8 | 176.9 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | Y53 E54 K55 E59 L60 L61 A69 L73 I90 | Y53-T57 WeakPolarHBondContact O-CB 3.26Å; Y53-T57 PolarHBondContact O-N 3.39Å; Y53-T57 VanDerWaalsContact O-N 3.15Å; Y53-T57 PolarHBondContact O-OG1 3.35Å; E54-T57 CarbonylContact O-C 3.59Å; E54-T57 WeakPolarHBondContact O-CB 3.34Å; E54-T57 PolarHBondContact O-N 2.94Å; E54-T57 VanDerWaalsContact O-N 3.1Å; K55-T57 PolarHBondContact O-N 3.23Å; T57-E59 VanDerWaalsContact C-N 3.34Å; T57-E59 PolarHBondContact O-N 3.45Å; T57-L60 PolarHBondContact O-N 3.02Å; T57-L61 HydrophobicContact CG2-CD1 4.02Å; T57-L61 HydrophobicContact CG2-CG 4.39Å; T57-L61 VanDerWaalsContact O-CG 3.31Å; T57-L61 WeakPolarHBondContact O-CG 3.46Å; T57-L61 PolarHBondContact O-N 3.35Å; T57-A69 HydrophobicContact CG2-CB 4.21Å; T57-L73 HydrophobicContact CG2-CD1 3.76Å; T57-L73 HydrophobicContact CG2-CD2 4.04Å; T57-L73 HydrophobicContact CG2-CG 3.82Å; T57-L73 WeakPolarHBondContact OG1-CD2 3.26Å; T57-I90 HydrophobicContact CG2-CD1 3.71Å |
| 58 | M | 95.8 | Very high | 95 | Very high | 19 Ų | 19 | 74 Ų | 74 | 9% | 0.094 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.7 | -44.4 | 172.8 | -75.2 | -173.9 | -69 | 0 | 0 | 111.8 | F50 E54 K55 L60 L61 R62 I90 | F50-M58 HydrophobicContact CB-CE 3.67Å; F50-M58 HydrophobicContact CD1-CE 4.06Å; F50-M58 HydrophobicContact CD1-SD 4.43Å; F50-M58 HydrophobicContact CD2-CE 3.55Å; F50-M58 HydrophobicContact CD2-SD 4.11Å; F50-M58 HydrophobicContact CE2-CE 4.24Å; F50-M58 HydrophobicContact CE2-SD 4.2Å; F50-M58 HydrophobicContact CG-CE 3.45Å; F50-M58 VanDerWaalsContact CG-CE 3.45Å; F50-M58 HydrophobicContact CG-SD 4.24Å; F50-M58 HydrophobicContact CZ-SD 4.44Å; E54-M58 WeakPolarHBondContact O-CG 3.33Å; E54-M58 PolarHBondContact O-N 3.04Å; K55-M58 HydrophobicContact CB-CE 4.25Å; K55-M58 HydrophobicContact CG-CE 3.88Å; K55-M58 WeakPolarHBondContact O-CB 3.42Å; K55-M58 PolarHBondContact O-N 3.33Å; K55-M58 VanDerWaalsContact O-N 3.11Å; M58-L60 PolarHBondContact O-N 3.49Å; M58-L61 PolarHBondContact O-N 3.01Å; M58-R62 WeakPolarHBondContact O-CG 3.28Å; M58-R62 PolarHBondContact O-N 3.3Å; M58-I90 HydrophobicContact CB-CG2 4.28Å; M58-I90 HydrophobicContact CG-CG2 3.27Å; M58-I90 HydrophobicContact SD-CG2 4.46Å |
| 59 | E | 95.1 | Very high | 95 | Very high | 89 Ų | 89 | 69.1 Ų | 69.1 | 42% | 0.416 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.5 | -48.6 | 174.7 | -69 | 168.8 | -175.5 | 0 | 0 | 112 | K55 R56 T57 L61 R62 I63 | K55-E59 PolarHBondContact O-N 3.27Å; R56-E59 WeakPolarHBondContact CD-OE2 3.34Å; R56-E59 IonicContact CZ-OE2 3.77Å; R56-E59 IonicContact NE-OE2 3.92Å; R56-E59 IonicContact NH1-OE2 2.83Å; R56-E59 PolarHBondContact NH1-OE2 3.37Å; T57-E59 VanDerWaalsContact C-N 3.34Å; T57-E59 PolarHBondContact O-N 3.45Å; E59-L61 VanDerWaalsContact C-N 3.29Å; E59-L61 PolarHBondContact O-N 3.36Å; E59-R62 PolarHBondContact O-N 2.99Å; E59-I63 WeakPolarHBondContact O-CG1 3.48Å; E59-I63 PolarHBondContact O-N 3.48Å |
| 60 | L | 96 | Very high | 95.1 | Very high | 9 Ų | 9 | 69.2 Ų | 69.2 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.6 | -35.7 | -179.9 | -70.2 | 172.2 | 0 | 0 | 0 | 112.4 | R56 T57 M58 R65 K68 A69 Y72 | R56-L60 WeakPolarHBondContact O-CG 3.43Å; R56-L60 PolarHBondContact O-N 3.01Å; T57-L60 PolarHBondContact O-N 3.02Å; M58-L60 PolarHBondContact O-N 3.49Å; L60-R65 PolarHBondContact O-N 2.94Å; L60-K68 HydrophobicContact CD1-CG 4.36Å; L60-K68 HydrophobicContact CD2-CD 3.83Å; L60-K68 HydrophobicContact CD2-CG 4.07Å; L60-A69 HydrophobicContact CB-CB 3.86Å; L60-A69 HydrophobicContact CD1-CB 4.39Å; L60-Y72 HydrophobicContact CD1-CG 4.35Å |
| 61 | L | 95.2 | Very high | 95.2 | Very high | 13 Ų | 13 | 74.2 Ų | 74.2 | 7% | 0.068 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -74.8 | -29.3 | 176.7 | -69.3 | 173.2 | 0 | 0 | 0 | 112.6 | T57 M58 E59 I63 S64 D66 A69 R87 I90 L94 | T57-L61 HydrophobicContact CG2-CD1 4.02Å; T57-L61 HydrophobicContact CG2-CG 4.39Å; T57-L61 VanDerWaalsContact O-CG 3.31Å; T57-L61 WeakPolarHBondContact O-CG 3.46Å; T57-L61 PolarHBondContact O-N 3.35Å; M58-L61 PolarHBondContact O-N 3.01Å; E59-L61 VanDerWaalsContact C-N 3.29Å; E59-L61 PolarHBondContact O-N 3.36Å; L61-I63 VanDerWaalsContact C-N 3.33Å; L61-S64 PolarHBondContact O-N 2.89Å; L61-D66 WeakPolarHBondContact CD2-OD1 3.5Å; L61-A69 HydrophobicContact CD2-CB 3.89Å; L61-A69 HydrophobicContact CG-CB 4.09Å; L61-R87 HydrophobicContact CD1-CG 4.38Å; L61-R87 HydrophobicContact CD2-CG 4.12Å; L61-I90 HydrophobicContact CD1-CB 4.06Å; L61-I90 HydrophobicContact CD1-CG2 3.62Å; L61-L94 HydrophobicContact CB-CD1 3.61Å; L61-L94 HydrophobicContact CD1-CD1 4.32Å |
| 62 | R | 93.6 | Very high | 95.3 | Very high | 148 Ų | 148 | 75 Ų | 75 | 56% | 0.558 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.9 | -35.1 | 172.7 | -76.9 | 176.3 | 176.6 | -171.3 | -2.4 | 112.5 | M58 E59 S64 L94 | M58-R62 WeakPolarHBondContact O-CG 3.28Å; M58-R62 PolarHBondContact O-N 3.3Å; E59-R62 PolarHBondContact O-N 2.99Å; R62-S64 PolarHBondContact O-N 2.96Å; R62-L94 HydrophobicContact CG-CD2 3.97Å |
| 63 | I | 94.6 | Very high | 95.3 | Very high | 121 Ų | 121 | 70 Ų | 70 | 62% | 0.621 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 10.9 | 176.7 | -49.2 | 162.7 | 0 | 0 | 0 | 110.9 | E59 L61 R65 | E59-I63 WeakPolarHBondContact O-CG1 3.48Å; E59-I63 PolarHBondContact O-N 3.48Å; L61-I63 VanDerWaalsContact C-N 3.33Å; I63-R65 HydrophobicContact CB-CG 4.39Å; I63-R65 HydrophobicContact CG2-CG 4.18Å; I63-R65 PolarHBondContact O-N 3.49Å; I63-R65 VanDerWaalsContact O-N 3.13Å |
| 64 | S | 92.5 | Very high | 95.3 | Very high | 93 Ų | 93 | 72.7 Ų | 72.7 | 65% | 0.65 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 31.1 | -179.8 | -53 | 0 | 0 | 0 | 0 | 114.1 | L61 R62 D66 | L61-S64 PolarHBondContact O-N 2.89Å; R62-S64 PolarHBondContact O-N 2.96Å; S64-D66 PolarHBondContact O-N 3.13Å |
| 65 | R | 94.7 | Very high | 95.3 | Very high | 132 Ų | 132 | 81.7 Ų | 81.7 | 50% | 0.498 | 36% | 0.357 | S | S | . | . | trans | -97.3 | 56.1 | 177.6 | -61.4 | -165.8 | 74.1 | 173.9 | 7.3 | 111.9 | L60 I63 K67 K68 A69 | L60-R65 PolarHBondContact O-N 2.94Å; I63-R65 HydrophobicContact CB-CG 4.39Å; I63-R65 HydrophobicContact CG2-CG 4.18Å; I63-R65 PolarHBondContact O-N 3.49Å; I63-R65 VanDerWaalsContact O-N 3.13Å; R65-K67 PolarHBondContact O-N 3.49Å; R65-K68 HydrophobicContact CB-CB 4.08Å; R65-K68 WeakPolarHBondContact O-CA 3.46Å; R65-K68 WeakPolarHBondContact O-CB 3.36Å; R65-K68 PolarHBondContact O-N 3.1Å; R65-A69 PolarHBondContact O-N 3.19Å | ||
| 66 | D | 93.9 | Very high | 95.3 | Very high | 64 Ų | 64 | 82.7 Ų | 82.7 | 34% | 0.342 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -55.3 | -42.7 | -174 | -66.5 | -84.6 | 0 | 0 | 0 | 114.6 | L61 S64 K68 A69 L70 | L61-D66 WeakPolarHBondContact CD2-OD1 3.5Å; S64-D66 PolarHBondContact O-N 3.13Å; D66-K68 VanDerWaalsContact C-N 3.27Å; D66-K68 PolarHBondContact O-N 3.43Å; D66-A69 WeakPolarHBondContact O-CB 3.25Å; D66-A69 PolarHBondContact O-N 3.37Å; D66-L70 WeakPolarHBondContact O-CB 3.3Å; D66-L70 PolarHBondContact O-N 2.97Å |
| 67 | K | 95.1 | Very high | 95.2 | Very high | 158 Ų | 158 | 79.3 Ų | 79.3 | 69% | 0.687 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.2 | -35.8 | 178.4 | -169.4 | 174.4 | -176.1 | 176.1 | 0 | 111.4 | R65 R71 | R65-K67 PolarHBondContact O-N 3.49Å; K67-R71 WeakPolarHBondContact O-CG 3.38Å; K67-R71 PolarHBondContact O-N 3.36Å; K67-R71 VanDerWaalsContact O-N 3.12Å |
| 68 | K | 95.6 | Very high | 94.8 | Very high | 90 Ų | 90 | 83 Ų | 83 | 39% | 0.391 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -73.2 | -42.3 | 176 | -170.4 | 173.2 | 177.2 | -179.1 | 0 | 110.7 | L60 R65 D66 L70 R71 Y72 | L60-K68 HydrophobicContact CD1-CG 4.36Å; L60-K68 HydrophobicContact CD2-CD 3.83Å; L60-K68 HydrophobicContact CD2-CG 4.07Å; R65-K68 HydrophobicContact CB-CB 4.08Å; R65-K68 WeakPolarHBondContact O-CA 3.46Å; R65-K68 WeakPolarHBondContact O-CB 3.36Å; R65-K68 PolarHBondContact O-N 3.1Å; D66-K68 VanDerWaalsContact C-N 3.27Å; D66-K68 PolarHBondContact O-N 3.43Å; K68-L70 VanDerWaalsContact C-N 3.34Å; K68-L70 PolarHBondContact O-N 2.95Å; K68-R71 PolarHBondContact O-N 3.31Å; K68-Y72 WeakPolarHBondContact O-CB 3.33Å; K68-Y72 PolarHBondContact O-N 3.48Å |
| 69 | A | 96 | Very high | 94.8 | Very high | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -56.9 | -46.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T57 L60 L61 R65 D66 R71 Y72 L73 | T57-A69 HydrophobicContact CG2-CB 4.21Å; L60-A69 HydrophobicContact CB-CB 3.86Å; L60-A69 HydrophobicContact CD1-CB 4.39Å; L61-A69 HydrophobicContact CD2-CB 3.89Å; L61-A69 HydrophobicContact CG-CB 4.09Å; R65-A69 PolarHBondContact O-N 3.19Å; D66-A69 WeakPolarHBondContact O-CB 3.25Å; D66-A69 PolarHBondContact O-N 3.37Å; A69-R71 PolarHBondContact O-N 3.41Å; A69-Y72 WeakPolarHBondContact O-CB 3.43Å; A69-Y72 PolarHBondContact O-N 2.83Å; A69-L73 WeakPolarHBondContact O-CG 3.33Å; A69-L73 PolarHBondContact O-N 3.36Å |
| 70 | L | 95.8 | Very high | 94.8 | Very high | 31 Ų | 31 | 84 Ų | 84 | 16% | 0.162 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 178.1 | -171.3 | 66.2 | 0 | 0 | 0 | 112.3 | D66 K68 Y72 L73 K74 K84 | D66-L70 WeakPolarHBondContact O-CB 3.3Å; D66-L70 PolarHBondContact O-N 2.97Å; K68-L70 VanDerWaalsContact C-N 3.34Å; K68-L70 PolarHBondContact O-N 2.95Å; L70-Y72 VanDerWaalsContact C-N 3.29Å; L70-Y72 PolarHBondContact O-N 3.26Å; L70-L73 PolarHBondContact O-N 3.13Å; L70-K74 WeakPolarHBondContact O-CB 3.44Å; L70-K74 PolarHBondContact O-N 2.93Å; L70-K84 HydrophobicContact CD1-CG 4.12Å |
| 71 | R | 95.9 | Very high | 94.8 | Very high | 156 Ų | 156 | 93.6 Ų | 93.6 | 59% | 0.589 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64.6 | -32.6 | 174.7 | -76.1 | 179.1 | 176.3 | -160.5 | -1 | 112.4 | K67 K68 A69 R75 | K67-R71 WeakPolarHBondContact O-CG 3.38Å; K67-R71 PolarHBondContact O-N 3.36Å; K67-R71 VanDerWaalsContact O-N 3.12Å; K68-R71 PolarHBondContact O-N 3.31Å; A69-R71 PolarHBondContact O-N 3.41Å; R71-R75 PolarHBondContact O-N 2.93Å; R71-R75 PolarHBondContact O-NE 2.93Å |
| 72 | Y | 96.3 | Very high | 94.8 | Very high | 49 Ų | 49 | 101 Ų | 101 | 19% | 0.192 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -70.3 | -50.4 | 174.3 | -180 | -97 | 0 | 0 | 0 | 111 | R56 L60 K68 A69 L70 K74 R75 R76 | R56-Y72 HydrophobicContact CB-CE1 3.84Å; R56-Y72 HydrophobicContact CG-CD1 4.35Å; R56-Y72 HydrophobicContact CG-CD2 4.41Å; R56-Y72 HydrophobicContact CG-CE1 3.8Å; R56-Y72 HydrophobicContact CG-CE2 3.86Å; L60-Y72 HydrophobicContact CD1-CG 4.35Å; K68-Y72 WeakPolarHBondContact O-CB 3.33Å; K68-Y72 PolarHBondContact O-N 3.48Å; A69-Y72 WeakPolarHBondContact O-CB 3.43Å; A69-Y72 PolarHBondContact O-N 2.83Å; L70-Y72 VanDerWaalsContact C-N 3.29Å; L70-Y72 PolarHBondContact O-N 3.26Å; Y72-K74 VanDerWaalsContact C-N 3.3Å; Y72-K74 PolarHBondContact O-N 3.01Å; Y72-R75 WeakPolarHBondContact O-CB 3.31Å; Y72-R75 PolarHBondContact O-N 3.05Å; Y72-R75 VanDerWaalsContact O-N 3.11Å; Y72-R76 HydrophobicContact CD1-CG 4.42Å; Y72-R76 HydrophobicContact CE1-CG 4.03Å; Y72-R76 PolarHBondContact O-N 3.49Å; Y72-R76 PolarHBondContact OH-NH1 3.46Å |
| 73 | L | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 94 Ų | 94 | 0% | 0 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.1 | -37.5 | 176.6 | -75 | 177 | 0 | 0 | 0 | 112.9 | Y53 T57 A69 L70 R75 R76 I77 S83 K86 R87 | Y53-L73 HydrophobicContact CD2-CD2 4.42Å; T57-L73 HydrophobicContact CG2-CD1 3.76Å; T57-L73 HydrophobicContact CG2-CD2 4.04Å; T57-L73 HydrophobicContact CG2-CG 3.82Å; T57-L73 WeakPolarHBondContact OG1-CD2 3.26Å; A69-L73 WeakPolarHBondContact O-CG 3.33Å; A69-L73 PolarHBondContact O-N 3.36Å; L70-L73 PolarHBondContact O-N 3.13Å; L73-R75 VanDerWaalsContact C-N 3.27Å; L73-R75 PolarHBondContact O-N 3.28Å; L73-R76 PolarHBondContact O-N 3.43Å; L73-R76 VanDerWaalsContact O-N 3.14Å; L73-I77 HydrophobicContact CD2-CD1 3.95Å; L73-I77 PolarHBondContact O-N 3.31Å; L73-S83 WeakPolarHBondContact CD1-O 3.5Å; L73-S83 PolarHBondContact O-OG 3.07Å; L73-K86 HydrophobicContact CD1-CB 4.26Å; L73-K86 HydrophobicContact CD1-CG 4.25Å; L73-K86 HydrophobicContact CD2-CB 4.49Å; L73-K86 HydrophobicContact CD2-CG 3.85Å; L73-R87 HydrophobicContact CD1-CB 3.88Å |
| 74 | K | 96.2 | Very high | 95.1 | Very high | 120 Ų | 120 | 92.4 Ų | 92.4 | 52% | 0.522 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.8 | -36 | 176.8 | -170.7 | 178.3 | 178 | -174.4 | 0 | 111.9 | L70 Y72 S78 S83 | L70-K74 WeakPolarHBondContact O-CB 3.44Å; L70-K74 PolarHBondContact O-N 2.93Å; Y72-K74 VanDerWaalsContact C-N 3.3Å; Y72-K74 PolarHBondContact O-N 3.01Å; K74-S78 PolarHBondContact O-N 2.75Å; K74-S83 VanDerWaalsContact CA-OG 3.28Å; K74-S83 WeakPolarHBondContact CA-OG 3.47Å; K74-S83 PolarHBondContact N-OG 2.86Å |
| 75 | R | 95.3 | Very high | 95.2 | Very high | 193 Ų | 193 | 96.9 Ų | 96.9 | 73% | 0.728 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -72.4 | -26.2 | 174.9 | -75 | -177.2 | -94.6 | -170 | -5.3 | 113.3 | R71 Y72 L73 | R71-R75 PolarHBondContact O-N 2.93Å; R71-R75 PolarHBondContact O-NE 2.93Å; Y72-R75 WeakPolarHBondContact O-CB 3.31Å; Y72-R75 PolarHBondContact O-N 3.05Å; Y72-R75 VanDerWaalsContact O-N 3.11Å; L73-R75 VanDerWaalsContact C-N 3.27Å; L73-R75 PolarHBondContact O-N 3.28Å |
| 76 | R | 95.7 | Very high | 95.3 | Very high | 137 Ų | 137 | 92 Ų | 92 | 52% | 0.517 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -94.3 | -42.3 | -176.1 | -63 | -64.8 | -72.9 | -113.5 | 5.8 | 114.8 | Y72 L73 | Y72-R76 HydrophobicContact CD1-CG 4.42Å; Y72-R76 HydrophobicContact CE1-CG 4.03Å; Y72-R76 PolarHBondContact O-N 3.49Å; Y72-R76 PolarHBondContact OH-NH1 3.46Å; L73-R76 PolarHBondContact O-N 3.43Å; L73-R76 VanDerWaalsContact O-N 3.14Å |
| 77 | I | 92.6 | Very high | 95.3 | Very high | 44 Ų | 44 | 91.8 Ų | 91.8 | 23% | 0.226 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -98 | -22.6 | -172 | -62.9 | 173.7 | 0 | 0 | 0 | 112.3 | Y53 L73 R82 K86 | Y53-I77 HydrophobicContact CE2-CD1 4.21Å; Y53-I77 HydrophobicContact CE2-CG1 4.4Å; L73-I77 HydrophobicContact CD2-CD1 3.95Å; L73-I77 PolarHBondContact O-N 3.31Å; I77-R82 HydrophobicContact CG2-CB 3.69Å; I77-K86 HydrophobicContact CD1-CB 3.67Å; I77-K86 HydrophobicContact CD1-CG 3.63Å |
| 78 | S | 88.9 | Confident | 95.4 | Very high | 78 Ų | 78 | 88 Ų | 88 | 55% | 0.545 | 38% | 0.38 | S | S | . | . | trans | 62.6 | 128.2 | -170.3 | -57.5 | 0 | 0 | 0 | 0 | 113.3 | K74 | K74-S78 PolarHBondContact O-N 2.75Š| ||
| 79 | G | 95.1 | Very high | 95.3 | Very high | 40 Ų | 40 | 87.6 Ų | 87.6 | 41% | 0.412 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 94.4 | 127 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R81 R82 S83 | G79-R81 PolarHBondContact O-N 3.02Å; G79-R82 PolarHBondContact O-N 3.12Å; G79-S83 PolarHBondContact O-N 2.98Å; G79-S83 VanDerWaalsContact O-N 3.1Å; G79-S83 PolarHBondContact O-OG 2.79Å; G79-S83 VanDerWaalsContact O-OG 3.07Å |
| 80 | H | 94.9 | Very high | 95.3 | Very high | 89 Ų | 89 | 87.6 Ų | 87.6 | 41% | 0.412 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | -173.5 | -172 | 57.8 | 0 | 0 | 0 | 113.9 | R82 S83 K84 | H80-R82 VanDerWaalsContact C-N 3.33Å; H80-R82 PolarHBondContact O-N 3.27Å; H80-S83 PolarHBondContact O-N 3.3Å; H80-K84 VanDerWaalsContact NE2-CE 3.33Å; H80-K84 WeakPolarHBondContact NE2-CE 3.46Å; H80-K84 PolarHBondContact O-N 2.73Å |
| 81 | R | 96.4 | Very high | 95.3 | Very high | 209 Ų | 209 | 90 Ų | 90 | 79% | 0.789 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.8 | -39.2 | -179.2 | -59.2 | -168.8 | -138.6 | -168 | 6.3 | 111.7 | G79 R85 | G79-R81 PolarHBondContact O-N 3.02Å; R81-R85 WeakPolarHBondContact O-CG 3.37Å; R81-R85 PolarHBondContact O-N 3.26Å; R81-R85 VanDerWaalsContact O-N 3.12Å |
| 82 | R | 95.9 | Very high | 95.2 | Very high | 169 Ų | 169 | 84.5 Ų | 84.5 | 64% | 0.638 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -69.1 | -43 | 178.3 | -63.7 | -176 | -175.8 | 173.1 | 0 | 111 | I77 G79 H80 K84 R85 K86 | I77-R82 HydrophobicContact CG2-CB 3.69Å; G79-R82 PolarHBondContact O-N 3.12Å; H80-R82 VanDerWaalsContact C-N 3.33Å; H80-R82 PolarHBondContact O-N 3.27Å; R82-K84 PolarHBondContact O-N 2.99Å; R82-R85 PolarHBondContact O-N 3.32Å; R82-K86 PolarHBondContact O-N 3.45Å |
| 83 | S | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 176.7 | -51.6 | 0 | 0 | 0 | 0 | 112.6 | L73 K74 G79 H80 K86 R87 | L73-S83 WeakPolarHBondContact CD1-O 3.5Å; L73-S83 PolarHBondContact O-OG 3.07Å; K74-S83 VanDerWaalsContact CA-OG 3.28Å; K74-S83 WeakPolarHBondContact CA-OG 3.47Å; K74-S83 PolarHBondContact N-OG 2.86Å; G79-S83 PolarHBondContact O-N 2.98Å; G79-S83 VanDerWaalsContact O-N 3.1Å; G79-S83 PolarHBondContact O-OG 2.79Å; G79-S83 VanDerWaalsContact O-OG 3.07Å; H80-S83 PolarHBondContact O-N 3.3Å; S83-K86 PolarHBondContact O-N 3.03Å; S83-R87 WeakPolarHBondContact O-CB 3.35Å; S83-R87 PolarHBondContact O-N 3.07Å |
| 84 | K | 96.7 | Very high | 95 | Very high | 88 Ų | 88 | 84.3 Ų | 84.3 | 38% | 0.383 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.8 | -50.9 | 172.8 | -79 | -173.5 | 167.3 | -174.6 | 0 | 111.5 | L70 H80 R82 K86 R87 D88 | L70-K84 HydrophobicContact CD1-CG 4.12Å; H80-K84 VanDerWaalsContact NE2-CE 3.33Å; H80-K84 WeakPolarHBondContact NE2-CE 3.46Å; H80-K84 PolarHBondContact O-N 2.73Å; R82-K84 PolarHBondContact O-N 2.99Å; K84-K86 VanDerWaalsContact C-N 3.31Å; K84-K86 PolarHBondContact O-N 3.14Å; K84-R87 WeakPolarHBondContact O-CB 3.35Å; K84-R87 PolarHBondContact O-N 3.42Å; K84-R87 VanDerWaalsContact O-N 3.13Å; K84-D88 PolarHBondContact O-N 3.49Å |
| 85 | R | 95.7 | Very high | 94.9 | Very high | 187 Ų | 187 | 82.2 Ų | 82.2 | 71% | 0.706 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -55.5 | -44.2 | 176.8 | -73.5 | 177.5 | -179.6 | -177.5 | -0.8 | 112.6 | R81 R82 D88 E89 | R81-R85 WeakPolarHBondContact O-CG 3.37Å; R81-R85 PolarHBondContact O-N 3.26Å; R81-R85 VanDerWaalsContact O-N 3.12Å; R82-R85 PolarHBondContact O-N 3.32Å; R85-D88 PolarHBondContact O-N 3.1Å; R85-E89 PolarHBondContact O-N 2.91Å |
| 86 | K | 96 | Very high | 94.8 | Very high | 31 Ų | 31 | 75.9 Ų | 75.9 | 14% | 0.135 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 178.7 | -178.3 | 60.8 | 63.8 | 176.7 | 0 | 112.2 | E54 L73 I77 R82 S83 K84 D88 E89 I90 | E54-K86 IonicContact OE1-NZ 2.86Å; E54-K86 PolarHBondContact OE1-NZ 3.3Å; L73-K86 HydrophobicContact CD1-CB 4.26Å; L73-K86 HydrophobicContact CD1-CG 4.25Å; L73-K86 HydrophobicContact CD2-CB 4.49Å; L73-K86 HydrophobicContact CD2-CG 3.85Å; I77-K86 HydrophobicContact CD1-CB 3.67Å; I77-K86 HydrophobicContact CD1-CG 3.63Å; R82-K86 PolarHBondContact O-N 3.45Å; S83-K86 PolarHBondContact O-N 3.03Å; K84-K86 VanDerWaalsContact C-N 3.31Å; K84-K86 PolarHBondContact O-N 3.14Å; K86-D88 VanDerWaalsContact C-N 3.32Å; K86-E89 VanDerWaalsContact CE-OE2 3.25Å; K86-E89 WeakPolarHBondContact CE-OE2 3.18Å; K86-E89 IonicContact NZ-OE1 3.28Å; K86-E89 PolarHBondContact NZ-OE1 3.04Å; K86-E89 IonicContact NZ-OE2 2.75Å; K86-E89 PolarHBondContact NZ-OE2 3.24Å; K86-E89 PolarHBondContact O-N 2.93Å; K86-I90 HydrophobicContact CD-CD1 3.93Å; K86-I90 HydrophobicContact CD-CG1 4.1Å; K86-I90 HydrophobicContact CG-CD1 3.9Å; K86-I90 HydrophobicContact CG-CG1 4.43Å; K86-I90 VanDerWaalsContact O-CG1 3.28Å; K86-I90 WeakPolarHBondContact O-CG1 3.41Å; K86-I90 PolarHBondContact O-N 3.36Å |
| 87 | R | 95.1 | Very high | 94.6 | Very high | 59 Ų | 59 | 72.6 Ų | 72.6 | 22% | 0.223 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.2 | -46.9 | 173.5 | -178.8 | -157.6 | 61.4 | 177.9 | 0.8 | 110.5 | L61 L73 S83 K84 E89 I90 Q91 | L61-R87 HydrophobicContact CD1-CG 4.38Å; L61-R87 HydrophobicContact CD2-CG 4.12Å; L73-R87 HydrophobicContact CD1-CB 3.88Å; S83-R87 WeakPolarHBondContact O-CB 3.35Å; S83-R87 PolarHBondContact O-N 3.07Å; K84-R87 WeakPolarHBondContact O-CB 3.35Å; K84-R87 PolarHBondContact O-N 3.42Å; K84-R87 VanDerWaalsContact O-N 3.13Å; R87-E89 PolarHBondContact O-N 3.06Å; R87-I90 PolarHBondContact O-N 3.33Å; R87-Q91 WeakPolarHBondContact O-CB 3.18Å; R87-Q91 PolarHBondContact O-N 2.91Å |
| 88 | D | 95.4 | Very high | 94.6 | Very high | 78 Ų | 78 | 77.6 Ų | 77.6 | 42% | 0.417 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.7 | -38.7 | -178.2 | -56.1 | -21.9 | 0 | 0 | 0 | 111.3 | K84 R85 K86 Q91 G92 | K84-D88 PolarHBondContact O-N 3.49Å; R85-D88 PolarHBondContact O-N 3.1Å; K86-D88 VanDerWaalsContact C-N 3.32Å; D88-Q91 PolarHBondContact O-N 3.06Å; D88-G92 PolarHBondContact O-N 3.5Å |
| 89 | E | 94.7 | Very high | 94.9 | Very high | 81 Ų | 81 | 80.3 Ų | 80.3 | 38% | 0.379 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.1 | -50.6 | 171.3 | -176.3 | -169.9 | 159.9 | 0 | 0 | 111.5 | R45 R85 K86 R87 Q91 G92 V93 | R45-E89 IonicContact CZ-OE1 3.72Å; R45-E89 IonicContact NH2-OE1 3.75Å; R45-E89 PolarHBondContact NH2-OE1 3.08Å; R85-E89 PolarHBondContact O-N 2.91Å; K86-E89 VanDerWaalsContact CE-OE2 3.25Å; K86-E89 WeakPolarHBondContact CE-OE2 3.18Å; K86-E89 IonicContact NZ-OE1 3.28Å; K86-E89 PolarHBondContact NZ-OE1 3.04Å; K86-E89 IonicContact NZ-OE2 2.75Å; K86-E89 PolarHBondContact NZ-OE2 3.24Å; K86-E89 PolarHBondContact O-N 2.93Å; R87-E89 PolarHBondContact O-N 3.06Å; E89-Q91 PolarHBondContact O-N 3.07Å; E89-G92 PolarHBondContact O-N 3.48Å; E89-V93 WeakPolarHBondContact O-CG2 3.41Å; E89-V93 PolarHBondContact O-N 3.38Å |
| 90 | I | 95.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 81.1 Ų | 81.1 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.3 | -36.9 | -178.8 | -66.2 | 173.4 | 0 | 0 | 0 | 111.5 | E54 T57 M58 L61 K86 R87 G92 V93 L94 | E54-I90 HydrophobicContact CB-CD1 4.16Å; E54-I90 HydrophobicContact CG-CD1 4.34Å; T57-I90 HydrophobicContact CG2-CD1 3.71Å; M58-I90 HydrophobicContact CB-CG2 4.28Å; M58-I90 HydrophobicContact CG-CG2 3.27Å; M58-I90 HydrophobicContact SD-CG2 4.46Å; L61-I90 HydrophobicContact CD1-CB 4.06Å; L61-I90 HydrophobicContact CD1-CG2 3.62Å; K86-I90 HydrophobicContact CD-CD1 3.93Å; K86-I90 HydrophobicContact CD-CG1 4.1Å; K86-I90 HydrophobicContact CG-CD1 3.9Å; K86-I90 HydrophobicContact CG-CG1 4.43Å; K86-I90 VanDerWaalsContact O-CG1 3.28Å; K86-I90 WeakPolarHBondContact O-CG1 3.41Å; K86-I90 PolarHBondContact O-N 3.36Å; R87-I90 PolarHBondContact O-N 3.33Å; I90-G92 VanDerWaalsContact C-N 3.33Å; I90-V93 WeakPolarHBondContact O-CB 3.29Å; I90-V93 PolarHBondContact O-N 3.34Å; I90-L94 PolarHBondContact O-N 3.35Å |
| 91 | Q | 95.1 | Very high | 94.7 | Very high | 82 Ų | 82 | 82.7 Ų | 82.7 | 38% | 0.383 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 174.2 | -174.4 | 172.7 | -5.5 | 0 | 0 | 111.3 | R87 D88 E89 V93 L94 I95 | R87-Q91 WeakPolarHBondContact O-CB 3.18Å; R87-Q91 PolarHBondContact O-N 2.91Å; D88-Q91 PolarHBondContact O-N 3.06Å; E89-Q91 PolarHBondContact O-N 3.07Å; Q91-V93 PolarHBondContact O-N 3.47Å; Q91-L94 PolarHBondContact O-N 3.18Å; Q91-I95 HydrophobicContact CG-CD1 4.27Å; Q91-I95 WeakPolarHBondContact O-CG1 3.12Å; Q91-I95 PolarHBondContact O-N 3.31Å |
| 92 | G | 94.9 | Very high | 94.6 | Very high | 40 Ų | 40 | 76.6 Ų | 76.6 | 41% | 0.412 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D88 E89 I90 I95 A96 | D88-G92 PolarHBondContact O-N 3.5Å; E89-G92 PolarHBondContact O-N 3.48Å; I90-G92 VanDerWaalsContact C-N 3.33Å; G92-I95 PolarHBondContact O-N 3.35Å; G92-A96 PolarHBondContact O-N 3.39Å |
| 93 | V | 93.9 | Very high | 94.1 | Very high | 35 Ų | 35 | 76.9 Ų | 76.9 | 21% | 0.212 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.8 | -48.9 | 173.6 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | F50 E89 I90 Q91 I95 A96 M97 | F50-V93 HydrophobicContact CE1-CG1 4.16Å; F50-V93 HydrophobicContact CE1-CG2 4.08Å; F50-V93 HydrophobicContact CE2-CG1 4.01Å; F50-V93 HydrophobicContact CZ-CB 4.24Å; F50-V93 HydrophobicContact CZ-CG1 3.38Å; F50-V93 HydrophobicContact CZ-CG2 3.92Å; E89-V93 WeakPolarHBondContact O-CG2 3.41Å; E89-V93 PolarHBondContact O-N 3.38Å; I90-V93 WeakPolarHBondContact O-CB 3.29Å; I90-V93 PolarHBondContact O-N 3.34Å; Q91-V93 PolarHBondContact O-N 3.47Å; V93-I95 VanDerWaalsContact C-N 3.28Å; V93-I95 PolarHBondContact O-N 3.46Å; V93-A96 WeakPolarHBondContact O-CB 3.33Å; V93-A96 PolarHBondContact O-N 3.12Å; V93-A96 VanDerWaalsContact O-N 3.13Å; V93-M97 HydrophobicContact CG1-CG 4.31Å; V93-M97 HydrophobicContact CG1-SD 4.1Å; V93-M97 WeakPolarHBondContact O-CG 3.44Å; V93-M97 PolarHBondContact O-N 2.95Å |
| 94 | L | 93.9 | Very high | 92.9 | Very high | 10 Ų | 10 | 87.8 Ų | 87.8 | 5% | 0.052 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.1 | -37.6 | -179.2 | -75.2 | 171.2 | 0 | 0 | 0 | 112.3 | L61 R62 I90 Q91 M97 R98 | L61-L94 HydrophobicContact CB-CD1 3.61Å; L61-L94 HydrophobicContact CD1-CD1 4.32Å; R62-L94 HydrophobicContact CG-CD2 3.97Å; I90-L94 PolarHBondContact O-N 3.35Å; Q91-L94 PolarHBondContact O-N 3.18Å; L94-M97 PolarHBondContact O-N 3.17Å; L94-R98 WeakPolarHBondContact O-CG 3.44Å; L94-R98 PolarHBondContact O-N 2.67Å |
| 95 | I | 94.4 | Very high | 92.7 | Very high | 76 Ų | 76 | 87.8 Ų | 87.8 | 39% | 0.39 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 175.1 | -66.7 | 164.9 | 0 | 0 | 0 | 110.5 | Q91 G92 V93 M97 R98 K99 | Q91-I95 HydrophobicContact CG-CD1 4.27Å; Q91-I95 WeakPolarHBondContact O-CG1 3.12Å; Q91-I95 PolarHBondContact O-N 3.31Å; G92-I95 PolarHBondContact O-N 3.35Å; V93-I95 VanDerWaalsContact C-N 3.28Å; V93-I95 PolarHBondContact O-N 3.46Å; I95-M97 VanDerWaalsContact C-N 3.35Å; I95-M97 PolarHBondContact O-N 2.95Å; I95-R98 PolarHBondContact O-N 3.14Å; I95-K99 HydrophobicContact CG2-CD 4.4Å; I95-K99 WeakPolarHBondContact O-CG 3.45Å; I95-K99 PolarHBondContact O-N 2.97Å |
| 96 | A | 93.3 | Very high | 92.5 | Very high | 59 Ų | 59 | 82.5 Ų | 82.5 | 49% | 0.488 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | G92 V93 K99 A100 | G92-A96 PolarHBondContact O-N 3.39Å; V93-A96 WeakPolarHBondContact O-CB 3.33Å; V93-A96 PolarHBondContact O-N 3.12Å; V93-A96 VanDerWaalsContact O-N 3.13Å; A96-K99 PolarHBondContact O-N 3.27Å; A96-A100 PolarHBondContact O-N 3.12Å |
| 97 | M | 92.6 | Very high | 92.4 | Very high | 69 Ų | 69 | 85.4 Ų | 85.4 | 34% | 0.34 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 174.5 | -67.2 | -178.8 | 83.2 | 0 | 0 | 111.4 | V93 L94 I95 K99 A100 H101 | V93-M97 HydrophobicContact CG1-CG 4.31Å; V93-M97 HydrophobicContact CG1-SD 4.1Å; V93-M97 WeakPolarHBondContact O-CG 3.44Å; V93-M97 PolarHBondContact O-N 2.95Å; L94-M97 PolarHBondContact O-N 3.17Å; I95-M97 VanDerWaalsContact C-N 3.35Å; I95-M97 PolarHBondContact O-N 2.95Å; M97-K99 VanDerWaalsContact C-N 3.31Å; M97-K99 PolarHBondContact O-N 2.6Å; M97-A100 PolarHBondContact O-N 3.15Å; M97-H101 PolarHBondContact O-CD2 2.88Å; M97-H101 PolarHBondContact O-N 3.28Å |
| 98 | R | 92.7 | Very high | 92.2 | Very high | 148 Ų | 148 | 86.9 Ų | 86.9 | 56% | 0.558 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -58 | -42 | 177.6 | -75.3 | 174.2 | -178.3 | 169.5 | 0.3 | 112.3 | L94 I95 H101 A102 | L94-R98 WeakPolarHBondContact O-CG 3.44Å; L94-R98 PolarHBondContact O-N 2.67Å; I95-R98 PolarHBondContact O-N 3.14Å; R98-H101 PolarHBondContact O-N 2.89Å; R98-A102 PolarHBondContact O-N 2.94Å; R98-A102 VanDerWaalsContact O-N 3.1Å |
| 99 | K | 94.4 | Very high | 92 | Very high | 135 Ų | 135 | 87.5 Ų | 87.5 | 59% | 0.587 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.6 | -46 | 175.4 | -71.6 | -179.6 | 176.6 | -170.4 | 0 | 111.8 | I95 A96 M97 H101 A102 H103 | I95-K99 HydrophobicContact CG2-CD 4.4Å; I95-K99 WeakPolarHBondContact O-CG 3.45Å; I95-K99 PolarHBondContact O-N 2.97Å; A96-K99 PolarHBondContact O-N 3.27Å; M97-K99 VanDerWaalsContact C-N 3.31Å; M97-K99 PolarHBondContact O-N 2.6Å; K99-H101 VanDerWaalsContact C-N 3.26Å; K99-H101 PolarHBondContact O-N 2.91Å; K99-A102 PolarHBondContact O-N 3.32Å; K99-A102 VanDerWaalsContact O-N 3.12Å; K99-H103 PolarHBondContact O-CD2 3.01Å; K99-H103 PolarHBondContact O-N 3.25Å |
| 100 | A | 93.5 | Very high | 91.8 | Very high | 57 Ų | 57 | 87.9 Ų | 87.9 | 47% | 0.471 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.6 | -33.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A96 M97 | A96-A100 PolarHBondContact O-N 3.12Å; M97-A100 PolarHBondContact O-N 3.15Å |
| 101 | H | 93.1 | Very high | 91.6 | Very high | 123 Ų | 123 | 94.1 Ų | 94.1 | 57% | 0.569 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -73.1 | -28.2 | 173.9 | -75.7 | -68.7 | 0 | 0 | 0 | 113.6 | M97 R98 K99 | M97-H101 PolarHBondContact O-CD2 2.88Å; M97-H101 PolarHBondContact O-N 3.28Å; R98-H101 PolarHBondContact O-N 2.89Å; K99-H101 VanDerWaalsContact C-N 3.26Å; K99-H101 PolarHBondContact O-N 2.91Å |
| 102 | A | 93.5 | Very high | 91.3 | Very high | 81 Ų | 81 | 95.1 Ų | 95.1 | 67% | 0.669 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -78.1 | -19.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R98 K99 | R98-A102 PolarHBondContact O-N 2.94Å; R98-A102 VanDerWaalsContact O-N 3.1Å; K99-A102 PolarHBondContact O-N 3.32Å; K99-A102 VanDerWaalsContact O-N 3.12Å |
| 103 | H | 86.1 | Confident | 91 | Very high | 175 Ų | 175 | 99.7 Ų | 99.7 | 81% | 0.81 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 2.2 | 175.6 | -68.3 | -67.3 | 0 | 0 | 0 | 113.3 | K99 | K99-H103 PolarHBondContact O-CD2 3.01Å; K99-H103 PolarHBondContact O-N 3.25Å |
| 104 | K | 70.5 | Confident | 90.7 | Very high | 228 Ų | 228 | 105.5 Ų | 105.5 | 99% | 0.991 | 54% | 0.539 | S | S | * | . | trans | -103.9 | 0 | 170.9 | -73.3 | -175.2 | 176.6 | -169.9 | 0 | 108.7 |
Retrieved 104 of 104 residues in 628.8 ms
(Link to these results)