| 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 | 44.8 | Very low | 46.3 | Very low | 246 Ų | 246 | 136.6 Ų | 136.6 | 100% | 1.212 | 86% | 0.86 | S | S | * | * | 0 | 106.8 | 0 | -80.6 | 175.2 | 64.2 | 0 | 0 | 108.9 | |||||
| 2 | A | 36.7 | Very low | 48.6 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 87% | 0.868 | 83% | 0.825 | S | S | * | * | trans | -154.2 | 142 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 3 | A | 39.3 | Very low | 51 | Low | 103 Ų | 103 | 127.7 Ų | 127.7 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 145.8 | -152.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 4 | G | 42.7 | Very low | 52.9 | Low | 76 Ų | 76 | 126.1 Ų | 126.1 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 126.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 5 | E | 40.8 | Very low | 54.6 | Low | 196 Ų | 196 | 128.3 Ų | 128.3 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 119 | 166.6 | -73.5 | -176 | 151.5 | 0 | 0 | 109.3 | ||
| 6 | R | 48 | Very low | 56.2 | Low | 232 Ų | 232 | 125.8 Ų | 125.8 | 88% | 0.875 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 139.4 | 167.8 | -67.2 | 178.2 | 179.4 | 173.6 | -0.6 | 108.4 | G8 | R6-G8 PolarHBondContact O-N 2.8Å; R6-G8 VanDerWaalsContact O-N 3.15Å |
| 7 | P | 45.2 | Very low | 57.5 | Low | 131 Ų | 131 | 123.8 Ų | 123.8 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 117.4 | 171 | 12.7 | -4.5 | 0 | 0 | 0 | 108.4 | C9 | P7-C9 PolarHBondContact O-N 2.77Š|
| 8 | G | 42.2 | Very low | 58.6 | Low | 73 Ų | 73 | 123.7 Ų | 123.7 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 121.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | R6 S10 | R6-G8 PolarHBondContact O-N 2.8Å; R6-G8 VanDerWaalsContact O-N 3.15Å; G8-S10 PolarHBondContact O-N 2.97Å; G8-S10 VanDerWaalsContact O-N 3.11Å |
| 9 | C | 46.3 | Very low | 59.8 | Low | 126 Ų | 126 | 123.8 Ų | 123.8 | 85% | 0.851 | 72% | 0.723 | S | S | * | * | trans | -67.1 | 105.2 | 169.4 | -165.2 | 0 | 0 | 0 | 0 | 107.7 | P7 S11 | P7-C9 PolarHBondContact O-N 2.77Å; C9-S11 VanDerWaalsContact C-N 3.31Å; C9-S11 PolarHBondContact O-N 2.87Å | ||
| 10 | S | 56.7 | Low | 60.7 | Low | 108 Ų | 108 | 121.6 Ų | 121.6 | 76% | 0.755 | 71% | 0.708 | S | S | * | * | trans | -73.2 | 82.9 | 179.4 | 36.3 | 0 | 0 | 0 | 0 | 110.4 | G8 L12 | G8-S10 PolarHBondContact O-N 2.97Å; G8-S10 VanDerWaalsContact O-N 3.11Å; S10-L12 VanDerWaalsContact C-N 3.31Å; S10-L12 PolarHBondContact O-N 2.88Å | ||
| 11 | S | 66.8 | Low | 61.1 | Low | 107 Ų | 107 | 120.2 Ų | 120.2 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | trans | -78.8 | 79 | 172.7 | 63.4 | 0 | 0 | 0 | 0 | 110.2 | C9 | C9-S11 VanDerWaalsContact C-N 3.31Å; C9-S11 PolarHBondContact O-N 2.87Å | ||
| 12 | L | 73.6 | Confident | 62.3 | Low | 84 Ų | 84 | 115.5 Ų | 115.5 | 44% | 0.44 | 67% | 0.671 | S | S | . | * | trans | -65.3 | 134.3 | 170.3 | -68.2 | 170.4 | 0 | 0 | 0 | 109.6 | S10 E16 L17 | S10-L12 VanDerWaalsContact C-N 3.31Å; S10-L12 PolarHBondContact O-N 2.88Å; L12-E16 HydrophobicContact CB-CB 4.49Å; L12-E16 HydrophobicContact CD2-CB 4.27Å; L12-L17 HydrophobicContact CB-CD2 4.12Å; L12-L17 HydrophobicContact CB-CG 3.9Å; L12-L17 HydrophobicContact CD1-CD2 3.96Å | ||
| 13 | T | 80.5 | Confident | 63.9 | Low | 73 Ų | 73 | 114.7 Ų | 114.7 | 45% | 0.448 | 65% | 0.651 | S | S | . | * | trans | -68.4 | 156.9 | 173.7 | 63.1 | 0 | 0 | 0 | 0 | 110.7 | K15 E16 L17 | T13-K15 PolarHBondContact O-N 3.13Å; T13-E16 WeakPolarHBondContact CB-OE2 3.47Å; T13-E16 PolarHBondContact N-OE2 3.23Å; T13-E16 PolarHBondContact O-N 2.93Å; T13-E16 VanDerWaalsContact O-N 3.08Å; T13-E16 WeakPolarHBondContact OG1-CB 3.44Å; T13-E16 WeakPolarHBondContact OG1-CG 3.27Å; T13-E16 PolarHBondContact OG1-N 2.85Å; T13-E16 PolarHBondContact OG1-OE2 3.31Å; T13-L17 PolarHBondContact O-N 2.96Å | ||
| 14 | T | 77.3 | Confident | 65 | Low | 106 Ų | 106 | 112.6 Ų | 112.6 | 65% | 0.65 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -57.2 | -32 | 176.3 | 49 | 0 | 0 | 0 | 0 | 112.7 | Q18 | T14-Q18 WeakPolarHBondContact O-CB 3.43Å; T14-Q18 WeakPolarHBondContact O-CG 3.25Å; T14-Q18 PolarHBondContact O-N 2.78Å |
| 15 | K | 77.5 | Confident | 65.7 | Low | 158 Ų | 158 | 116.1 Ų | 116.1 | 69% | 0.687 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69 | -45.3 | 174.2 | -73.2 | -175.6 | 177.3 | 179.5 | 0 | 112.1 | T13 L17 Q18 Q19 | T13-K15 PolarHBondContact O-N 3.13Å; K15-L17 VanDerWaalsContact C-N 3.33Å; K15-Q18 PolarHBondContact O-N 3.25Å; K15-Q19 WeakPolarHBondContact O-CB 3.35Å; K15-Q19 PolarHBondContact O-N 3.31Å |
| 16 | E | 81.4 | Confident | 66.2 | Low | 89 Ų | 89 | 113.7 Ų | 113.7 | 42% | 0.416 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.6 | -37.3 | 175.8 | -71.4 | 162.5 | 155 | 0 | 0 | 111.5 | L12 T13 Q19 N20 | L12-E16 HydrophobicContact CB-CB 4.49Å; L12-E16 HydrophobicContact CD2-CB 4.27Å; T13-E16 WeakPolarHBondContact CB-OE2 3.47Å; T13-E16 PolarHBondContact N-OE2 3.23Å; T13-E16 PolarHBondContact O-N 2.93Å; T13-E16 VanDerWaalsContact O-N 3.08Å; T13-E16 WeakPolarHBondContact OG1-CB 3.44Å; T13-E16 WeakPolarHBondContact OG1-CG 3.27Å; T13-E16 PolarHBondContact OG1-N 2.85Å; T13-E16 PolarHBondContact OG1-OE2 3.31Å; E16-Q19 PolarHBondContact O-N 3.32Å; E16-N20 WeakPolarHBondContact O-CB 3.44Å; E16-N20 PolarHBondContact O-N 3.41Å; E16-N20 PolarHBondContact O-ND2 2.86Å |
| 17 | L | 77.7 | Confident | 66.5 | Low | 91 Ų | 91 | 110.8 Ų | 110.8 | 48% | 0.476 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62.9 | -43.7 | 172.1 | -75.9 | 168.4 | 0 | 0 | 0 | 111.8 | L12 T13 K15 Q19 L21 | L12-L17 HydrophobicContact CB-CD2 4.12Å; L12-L17 HydrophobicContact CB-CG 3.9Å; L12-L17 HydrophobicContact CD1-CD2 3.96Å; T13-L17 PolarHBondContact O-N 2.96Å; K15-L17 VanDerWaalsContact C-N 3.33Å; L17-Q19 VanDerWaalsContact C-N 3.34Å; L17-L21 WeakPolarHBondContact O-CB 3.47Å; L17-L21 PolarHBondContact O-N 3.1Å |
| 18 | Q | 78.1 | Confident | 67 | Low | 122 Ų | 122 | 112.9 Ų | 112.9 | 57% | 0.57 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.4 | -38.1 | 176 | -76.6 | 174 | -1.5 | 0 | 0 | 112.2 | T14 K15 K22 | T14-Q18 WeakPolarHBondContact O-CB 3.43Å; T14-Q18 WeakPolarHBondContact O-CG 3.25Å; T14-Q18 PolarHBondContact O-N 2.78Å; K15-Q18 PolarHBondContact O-N 3.25Å; Q18-K22 WeakPolarHBondContact O-CB 3.37Å; Q18-K22 WeakPolarHBondContact O-CG 3.23Å; Q18-K22 PolarHBondContact O-N 2.83Å |
| 19 | Q | 80.6 | Confident | 67.6 | Low | 126 Ų | 126 | 118.8 Ų | 118.8 | 59% | 0.589 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73 | -42.4 | 178.6 | -169.7 | 152 | -3.6 | 0 | 0 | 111.5 | K15 E16 L17 L21 K22 L23 | K15-Q19 WeakPolarHBondContact O-CB 3.35Å; K15-Q19 PolarHBondContact O-N 3.31Å; E16-Q19 PolarHBondContact O-N 3.32Å; L17-Q19 VanDerWaalsContact C-N 3.34Å; Q19-L21 VanDerWaalsContact C-N 3.33Å; Q19-L21 PolarHBondContact O-N 3.44Å; Q19-K22 PolarHBondContact O-N 2.87Å; Q19-L23 HydrophobicContact CG-CD1 4.18Å; Q19-L23 WeakPolarHBondContact O-CB 3.41Å; Q19-L23 VanDerWaalsContact O-CG 3.26Å; Q19-L23 WeakPolarHBondContact O-CG 3.49Å; Q19-L23 PolarHBondContact O-N 3.41Å |
| 20 | N | 77.6 | Confident | 68.4 | Low | 79 Ų | 79 | 116.9 Ų | 116.9 | 42% | 0.422 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.6 | -38.6 | 172.2 | -74.1 | -24.1 | 0 | 0 | 0 | 111.5 | E16 L23 A24 | E16-N20 WeakPolarHBondContact O-CB 3.44Å; E16-N20 PolarHBondContact O-N 3.41Å; E16-N20 PolarHBondContact O-ND2 2.86Å; N20-L23 PolarHBondContact O-N 2.77Å; N20-A24 WeakPolarHBondContact O-CB 3.49Å; N20-A24 PolarHBondContact O-N 2.91Å |
| 21 | L | 70.3 | Confident | 68.8 | Low | 93 Ų | 93 | 115 Ų | 115 | 49% | 0.487 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.5 | -40.7 | 172.9 | -175.4 | 67 | 0 | 0 | 0 | 111.3 | L17 Q19 K25 | L17-L21 WeakPolarHBondContact O-CB 3.47Å; L17-L21 PolarHBondContact O-N 3.1Å; Q19-L21 VanDerWaalsContact C-N 3.33Å; Q19-L21 PolarHBondContact O-N 3.44Å; L21-K25 HydrophobicContact CD1-CD 4.48Å; L21-K25 HydrophobicContact CG-CD 4.16Å; L21-K25 VanDerWaalsContact O-CB 3.23Å; L21-K25 WeakPolarHBondContact O-CB 3.13Å; L21-K25 WeakPolarHBondContact O-CG 3.5Å; L21-K25 PolarHBondContact O-N 3.18Å |
| 22 | K | 70.1 | Confident | 69.3 | Low | 148 Ų | 148 | 117.7 Ų | 117.7 | 64% | 0.643 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.7 | -44.2 | 174.6 | -81.3 | 179.2 | 178.4 | -178.4 | 0 | 111.8 | Q18 Q19 K25 Q26 | Q18-K22 WeakPolarHBondContact O-CB 3.37Å; Q18-K22 WeakPolarHBondContact O-CG 3.23Å; Q18-K22 PolarHBondContact O-N 2.83Å; Q19-K22 PolarHBondContact O-N 2.87Å; K22-K25 CarbonylContact O-C 3.56Å; K22-K25 PolarHBondContact O-N 2.69Å; K22-Q26 WeakPolarHBondContact O-CB 3.22Å; K22-Q26 WeakPolarHBondContact O-CG 3.2Å; K22-Q26 PolarHBondContact O-N 2.95Å |
| 23 | L | 69.3 | Low | 69.8 | Low | 88 Ų | 88 | 114.1 Ų | 114.1 | 46% | 0.461 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.4 | -38.5 | 176.9 | -69.9 | 169.1 | 0 | 0 | 0 | 111.8 | Q19 N20 K25 Q26 K27 | Q19-L23 HydrophobicContact CG-CD1 4.18Å; Q19-L23 WeakPolarHBondContact O-CB 3.41Å; Q19-L23 VanDerWaalsContact O-CG 3.26Å; Q19-L23 WeakPolarHBondContact O-CG 3.49Å; Q19-L23 PolarHBondContact O-N 3.41Å; N20-L23 PolarHBondContact O-N 2.77Å; L23-K25 VanDerWaalsContact C-N 3.34Å; L23-Q26 PolarHBondContact O-N 2.89Å; L23-K27 PolarHBondContact O-N 3.05Å; L23-K27 VanDerWaalsContact O-N 3.08Å |
| 24 | A | 62 | Low | 70.1 | Confident | 58 Ų | 58 | 114 Ų | 114 | 48% | 0.479 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70 | -29.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N20 | N20-A24 WeakPolarHBondContact O-CB 3.49Å; N20-A24 PolarHBondContact O-N 2.91Å |
| 25 | K | 57.9 | Low | 70.8 | Confident | 151 Ų | 151 | 109.7 Ų | 109.7 | 66% | 0.657 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -78.1 | -28.2 | 170.8 | -75.6 | 177 | 176.8 | -173.2 | 0 | 112.8 | L21 K22 L23 K27 | L21-K25 HydrophobicContact CD1-CD 4.48Å; L21-K25 HydrophobicContact CG-CD 4.16Å; L21-K25 VanDerWaalsContact O-CB 3.23Å; L21-K25 WeakPolarHBondContact O-CB 3.13Å; L21-K25 WeakPolarHBondContact O-CG 3.5Å; L21-K25 PolarHBondContact O-N 3.18Å; K22-K25 CarbonylContact O-C 3.56Å; K22-K25 PolarHBondContact O-N 2.69Å; L23-K25 VanDerWaalsContact C-N 3.34Å; K25-K27 VanDerWaalsContact C-N 3.34Å |
| 26 | Q | 51.9 | Low | 71.6 | Confident | 145 Ų | 145 | 105.9 Ų | 105.9 | 68% | 0.678 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -74.4 | -21.8 | 173.1 | -87.1 | -176.3 | 1.3 | 0 | 0 | 113.1 | K22 L23 E28 | K22-Q26 WeakPolarHBondContact O-CB 3.22Å; K22-Q26 WeakPolarHBondContact O-CG 3.2Å; K22-Q26 PolarHBondContact O-N 2.95Å; L23-Q26 PolarHBondContact O-N 2.89Å; Q26-E28 PolarHBondContact O-N 3.48Å |
| 27 | K | 53.6 | Low | 72.3 | Confident | 170 Ų | 170 | 101.6 Ų | 101.6 | 74% | 0.739 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -65.7 | 86.1 | 156.7 | -73.9 | -174 | 177.3 | -177.4 | 0 | 106.7 | L23 K25 R29 | L23-K27 PolarHBondContact O-N 3.05Å; L23-K27 VanDerWaalsContact O-N 3.08Å; K25-K27 VanDerWaalsContact C-N 3.34Å; K27-R29 PolarHBondContact O-N 2.84Å |
| 28 | E | 55.1 | Low | 73.1 | Confident | 176 Ų | 176 | 99.9 Ų | 99.9 | 82% | 0.822 | 48% | 0.48 | S | S | * | . | trans | -44.3 | 104.7 | 178.2 | -67.7 | -178.7 | 164.4 | 0 | 0 | 108.3 | Q26 P30 | Q26-E28 PolarHBondContact O-N 3.48Å; E28-P30 VanDerWaalsContact O-CD 3.32Å; E28-P30 WeakPolarHBondContact O-CD 3.09Å; E28-P30 VanDerWaalsContact O-N 3.12Å | ||
| 29 | R | 56.4 | Low | 73.9 | Confident | 196 Ų | 196 | 96.4 Ų | 96.4 | 74% | 0.74 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 119 | 167.2 | -70.9 | -177 | -180 | -176.4 | -1.5 | 104.2 | K27 V31 | K27-R29 PolarHBondContact O-N 2.84Å; R29-V31 PolarHBondContact O-N 2.92Å |
| 30 | P | 61.8 | Low | 74.6 | Confident | 87 Ų | 87 | 92.3 Ų | 92.3 | 57% | 0.565 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 132.6 | 179.9 | 22.9 | -32.6 | 0 | 0 | 0 | 107.5 | E28 R32 | E28-P30 VanDerWaalsContact O-CD 3.32Å; E28-P30 WeakPolarHBondContact O-CD 3.09Å; E28-P30 VanDerWaalsContact O-N 3.12Å; P30-R32 WeakPolarHBondContact O-CG 3.27Å; P30-R32 PolarHBondContact O-N 2.87Å |
| 31 | V | 65.9 | Low | 75.4 | Confident | 68 Ų | 68 | 94.3 Ų | 94.3 | 41% | 0.412 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 117 | 178.4 | 176.9 | 0 | 0 | 0 | 0 | 107.5 | R29 R59 S60 | R29-V31 PolarHBondContact O-N 2.92Å; V31-R59 HydrophobicContact CG1-CB 4.03Å; V31-R59 HydrophobicContact CG1-CG 4.3Å; V31-S60 VanDerWaalsContact CA-O 3.25Å; V31-S60 WeakPolarHBondContact CA-O 3.47Å |
| 32 | R | 77.8 | Confident | 76.6 | Confident | 164 Ų | 164 | 93.1 Ų | 93.1 | 62% | 0.619 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 131.8 | 179.4 | -68.3 | -177.4 | -172.6 | -170.9 | -0.1 | 108.9 | P30 R59 S60 | P30-R32 WeakPolarHBondContact O-CG 3.27Å; P30-R32 PolarHBondContact O-N 2.87Å; R32-R59 CarbonylContact O-C 3.56Å; R32-R59 WeakPolarHBondContact O-CA 3.27Å; R32-S60 PolarHBondContact N-O 3.12Å; R32-S60 PolarHBondContact O-N 3Å |
| 33 | L | 82.9 | Confident | 77.7 | Confident | 8 Ų | 8 | 86.4 Ų | 86.4 | 4% | 0.042 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 133.4 | 167.4 | -162.6 | 72.6 | 0 | 0 | 0 | 109.1 | F35 V57 M58 R59 F126 K174 L175 W178 | L33-F35 HydrophobicContact CD2-CE1 3.91Å; L33-F35 HydrophobicContact CD2-CE2 4.09Å; L33-F35 HydrophobicContact CD2-CZ 3.33Å; L33-F35 HydrophobicContact CG-CE1 4.37Å; L33-F35 HydrophobicContact CG-CE2 4.39Å; L33-F35 HydrophobicContact CG-CZ 3.95Å; L33-V57 HydrophobicContact CD1-CG1 3.75Å; L33-V57 HydrophobicContact CD2-CG1 4.48Å; L33-V57 HydrophobicContact CG-CG1 4.24Å; L33-M58 CarbonylContact C-O 3.52Å; L33-M58 WeakPolarHBondContact CA-O 3.31Å; L33-R59 HydrophobicContact CD1-CG 3.87Å; L33-F126 HydrophobicContact CB-CE1 3.8Å; L33-F126 HydrophobicContact CB-CE2 3.92Å; L33-F126 HydrophobicContact CB-CZ 3.43Å; L33-F126 VanDerWaalsContact CB-CZ 3.43Å; L33-F126 HydrophobicContact CD2-CD2 3.96Å; L33-F126 HydrophobicContact CD2-CE2 3.44Å; L33-F126 VanDerWaalsContact CD2-CE2 3.44Å; L33-F126 HydrophobicContact CD2-CZ 3.87Å; L33-F126 HydrophobicContact CG-CE2 4.35Å; L33-F126 HydrophobicContact CG-CZ 4.33Å; L33-K174 HydrophobicContact CD1-CB 4.11Å; L33-L175 HydrophobicContact CD2-CD2 3.33Å; L33-W178 HydrophobicContact CB-CH2 3.86Å; L33-W178 HydrophobicContact CB-CZ3 3.82Å; L33-W178 HydrophobicContact CD1-CZ3 4.23Å; L33-W178 HydrophobicContact CD2-CE3 4.47Å; L33-W178 HydrophobicContact CD2-CZ3 4.27Å; L33-W178 HydrophobicContact CG-CZ3 4.36Å |
| 34 | L | 87.5 | Confident | 78.7 | Confident | 71 Ų | 71 | 87.3 Ų | 87.3 | 37% | 0.372 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 142.7 | 179.2 | -61.8 | 176.7 | 0 | 0 | 0 | 109.4 | M58 | L34-M58 PolarHBondContact N-O 3.35Å; L34-M58 PolarHBondContact O-N 2.85Å |
| 35 | F | 92 | Very high | 79.9 | Confident | 15 Ų | 15 | 89.6 Ų | 89.6 | 7% | 0.066 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 120.3 | 174.3 | -53.4 | -79.9 | 0 | 0 | 0 | 107.7 | L33 V56 V57 Q119 L122 F126 F137 F141 | L33-F35 HydrophobicContact CD2-CE1 3.91Å; L33-F35 HydrophobicContact CD2-CE2 4.09Å; L33-F35 HydrophobicContact CD2-CZ 3.33Å; L33-F35 HydrophobicContact CG-CE1 4.37Å; L33-F35 HydrophobicContact CG-CE2 4.39Å; L33-F35 HydrophobicContact CG-CZ 3.95Å; F35-V56 WeakPolarHBondContact CA-O 3.38Å; F35-V57 HydrophobicContact CD1-CG2 4.2Å; F35-V57 HydrophobicContact CE1-CG1 4.22Å; F35-V57 HydrophobicContact CE1-CG2 4.33Å; F35-Q119 VanDerWaalsContact O-CG 3.27Å; F35-Q119 WeakPolarHBondContact O-CG 3.43Å; F35-L122 HydrophobicContact CB-CB 4.01Å; F35-L122 HydrophobicContact CB-CD1 4.03Å; F35-L122 HydrophobicContact CD2-CB 4.13Å; F35-L122 HydrophobicContact CG-CB 4.02Å; F35-L122 HydrophobicContact CG-CD1 4.36Å; F35-F126 HydrophobicContact CE2-CB 3.6Å; F35-F126 HydrophobicContact CE2-CD1 4.37Å; F35-F126 AromaticContact CE2-CD2 3.95Å; F35-F126 HydrophobicContact CE2-CD2 3.95Å; F35-F126 AromaticContact CE2-CG 3.72Å; F35-F126 HydrophobicContact CE2-CG 3.72Å; F35-F126 HydrophobicContact CZ-CB 4.32Å; F35-F126 AromaticContact CZ-CD2 3.97Å; F35-F126 HydrophobicContact CZ-CD2 3.97Å; F35-F126 HydrophobicContact CZ-CG 4.23Å; F35-F137 HydrophobicContact CE1-CE1 4.46Å; F35-F137 HydrophobicContact CE1-CZ 4.14Å; F35-F137 AromaticContact CE2-CZ 3.98Å; F35-F137 HydrophobicContact CE2-CZ 3.98Å; F35-F137 AromaticContact CZ-CE1 3.8Å; F35-F137 HydrophobicContact CZ-CE1 3.8Å; F35-F137 AromaticContact CZ-CZ 3.45Å; F35-F137 HydrophobicContact CZ-CZ 3.45Å; F35-F137 VanDerWaalsContact CZ-CZ 3.45Å; F35-F141 AromaticContact CD1-CE1 3.6Å; F35-F141 HydrophobicContact CD1-CE1 3.6Å; F35-F141 AromaticContact CD1-CZ 3.55Å; F35-F141 HydrophobicContact CD1-CZ 3.55Å; F35-F141 AromaticContact CE1-CE1 3.6Å; F35-F141 HydrophobicContact CE1-CE1 3.6Å; F35-F141 AromaticContact CE1-CE2 3.87Å; F35-F141 HydrophobicContact CE1-CE2 3.87Å; F35-F141 AromaticContact CE1-CZ 3.18Å; F35-F141 HydrophobicContact CE1-CZ 3.18Å; F35-F141 HydrophobicContact CZ-CE2 4.44Å; F35-F141 HydrophobicContact CZ-CZ 4Å |
| 36 | E | 93.6 | Very high | 80.9 | Confident | 78 Ų | 78 | 91.2 Ų | 91.2 | 36% | 0.364 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 139.7 | 173.6 | -72.4 | -175.6 | -178.3 | 0 | 0 | 109.6 | P38 I55 V56 M58 | E36-P38 VanDerWaalsContact C-CD 3.43Å; E36-P38 VanDerWaalsContact O-CD 3.24Å; E36-P38 WeakPolarHBondContact O-CD 3.06Å; E36-I55 CarbonylContact O-C 3.55Å; E36-V56 HydrophobicContact CB-CB 4.4Å; E36-V56 PolarHBondContact N-O 3.38Å; E36-V56 PolarHBondContact O-N 3.37Å; E36-M58 HydrophobicContact CB-CE 4.25Å; E36-M58 HydrophobicContact CG-CE 3.64Å; E36-M58 VanDerWaalsContact OE1-CE 3.23Å; E36-M58 WeakPolarHBondContact OE1-CE 3.43Å; E36-M58 VanDerWaalsContact OE2-CE 3.28Å; E36-M58 WeakPolarHBondContact OE2-CE 3.23Å |
| 37 | I | 96.3 | Very high | 82.3 | Confident | 0 Ų | 0 | 92.8 Ų | 92.8 | 0% | 0 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 76 | 172.5 | -50.6 | -175.5 | 0 | 0 | 0 | 107.7 | S39 Y53 Q54 I55 F77 R115 L118 Q119 L122 | I37-S39 VanDerWaalsContact C-N 3.27Å; I37-S39 PolarHBondContact O-N 2.9Å; I37-Y53 HydrophobicContact CG2-CD1 4.23Å; I37-Y53 HydrophobicContact CG2-CG 4.46Å; I37-Q54 VanDerWaalsContact CA-O 3.27Å; I37-Q54 WeakPolarHBondContact CA-O 3.37Å; I37-Q54 VanDerWaalsContact CG2-O 3.31Å; I37-Q54 WeakPolarHBondContact CG2-O 3.48Å; I37-I55 HydrophobicContact CD1-CG1 4.38Å; I37-I55 HydrophobicContact CG1-CG1 4.29Å; I37-F77 HydrophobicContact CD1-CZ 4.23Å; I37-R115 HydrophobicContact CB-CG 3.94Å; I37-R115 HydrophobicContact CG2-CG 3.54Å; I37-R115 VanDerWaalsContact O-CD 3.23Å; I37-R115 WeakPolarHBondContact O-CD 3.14Å; I37-R115 WeakPolarHBondContact O-CG 3.33Å; I37-R115 PolarHBondContact O-NH1 3.2Å; I37-L118 HydrophobicContact CD1-CB 3.81Å; I37-Q119 HydrophobicContact CB-CB 4.5Å; I37-Q119 HydrophobicContact CD1-CB 4.12Å; I37-Q119 HydrophobicContact CG1-CB 4.06Å; I37-Q119 HydrophobicContact CG1-CG 4.39Å; I37-L122 HydrophobicContact CD1-CD1 4.39Å |
| 38 | P | 94.3 | Very high | 83.8 | Confident | 55 Ų | 55 | 87.8 Ų | 87.8 | 36% | 0.357 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | -28.1 | -169.8 | 26.9 | -38.6 | 0 | 0 | 0 | 113.5 | E36 Q54 V56 | E36-P38 VanDerWaalsContact C-CD 3.43Å; E36-P38 VanDerWaalsContact O-CD 3.24Å; E36-P38 WeakPolarHBondContact O-CD 3.06Å; P38-Q54 VanDerWaalsContact CD-O 3.31Å; P38-Q54 WeakPolarHBondContact CD-O 3.31Å; P38-V56 HydrophobicContact CG-CG2 3.73Å |
| 39 | S | 94.6 | Very high | 85.6 | Confident | 48 Ų | 48 | 84.1 Ų | 84.1 | 34% | 0.336 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 161.4 | -172.7 | 78.8 | 0 | 0 | 0 | 0 | 112.1 | I37 Q54 | I37-S39 VanDerWaalsContact C-N 3.27Å; I37-S39 PolarHBondContact O-N 2.9Å; S39-Q54 PolarHBondContact O-N 3.2Å; S39-Q54 VanDerWaalsContact O-N 3.08Å; S39-Q54 WeakPolarHBondContact OG-CB 3.39Å; S39-Q54 PolarHBondContact OG-OE1 3.24Å |
| 40 | S | 95.7 | Very high | 87.4 | Confident | 40 Ų | 40 | 77.4 Ų | 77.4 | 28% | 0.28 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 143.2 | 172.9 | 54.1 | 0 | 0 | 0 | 0 | 108.9 | A52 I111 | S40-A52 CarbonylContact C-O 3.57Å; S40-A52 WeakPolarHBondContact CA-O 3.46Å; S40-I111 WeakPolarHBondContact OG-CG2 3.39Å |
| 41 | R | 95.2 | Very high | 89 | Confident | 122 Ų | 122 | 73.9 Ų | 73.9 | 46% | 0.46 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 146.9 | 176.8 | 68 | -177.7 | -176.6 | 100.3 | 2.4 | 111.3 | V43 V51 A52 E71 | R41-V43 HydrophobicContact CG-CG2 4.38Å; R41-V51 WeakPolarHBondContact O-CA 3.21Å; R41-A52 HydrophobicContact CG-CB 4.18Å; R41-A52 PolarHBondContact N-O 3.11Å; R41-A52 PolarHBondContact O-N 3.45Å; R41-E71 IonicContact CZ-OE1 3.46Å; R41-E71 IonicContact CZ-OE2 2.77Å; R41-E71 IonicContact NE-OE1 2.69Å; R41-E71 PolarHBondContact NE-OE1 3.16Å; R41-E71 IonicContact NE-OE2 2.75Å; R41-E71 PolarHBondContact NE-OE2 2.98Å; R41-E71 IonicContact NH2-OE1 2.69Å; R41-E71 IonicContact NH2-OE2 3.58Å; R41-E71 PolarHBondContact NH2-OE2 3.11Å |
| 42 | V | 94.6 | Very high | 90.5 | Very high | 67 Ų | 67 | 70.8 Ų | 70.8 | 41% | 0.406 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 117.5 | 170.6 | -177.2 | 0 | 0 | 0 | 0 | 107.6 | K49 V51 F106 I111 | V42-K49 HydrophobicContact CG1-CG 4.21Å; V42-V51 HydrophobicContact CG2-CG2 4.47Å; V42-F106 HydrophobicContact CG1-CD1 3.88Å; V42-F106 HydrophobicContact CG1-CE1 3.92Å; V42-F106 HydrophobicContact CG2-CD1 4.18Å; V42-I111 HydrophobicContact CG2-CD1 4.26Å |
| 43 | V | 93.3 | Very high | 91.4 | Very high | 8 Ų | 8 | 63 Ų | 63 | 5% | 0.048 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 119.1 | 170.5 | -175.1 | 0 | 0 | 0 | 0 | 107 | R41 Q45 K49 Y50 A52 | R41-V43 HydrophobicContact CG-CG2 4.38Å; V43-Q45 HydrophobicContact CG1-CG 4.03Å; V43-K49 CarbonylContact O-C 3.49Å; V43-K49 VanDerWaalsContact O-CA 3.27Å; V43-K49 WeakPolarHBondContact O-CA 3.42Å; V43-Y50 HydrophobicContact CB-CD1 4.13Å; V43-Y50 HydrophobicContact CB-CD2 4.2Å; V43-Y50 HydrophobicContact CB-CE1 3.76Å; V43-Y50 HydrophobicContact CB-CE2 3.85Å; V43-Y50 HydrophobicContact CB-CG 4.34Å; V43-Y50 HydrophobicContact CG1-CD1 4.42Å; V43-Y50 HydrophobicContact CG1-CE1 3.67Å; V43-Y50 HydrophobicContact CG1-CE2 4.39Å; V43-Y50 HydrophobicContact CG2-CD2 4.25Å; V43-Y50 HydrophobicContact CG2-CE1 4.43Å; V43-Y50 HydrophobicContact CG2-CE2 3.68Å; V43-Y50 PolarHBondContact N-O 2.98Å; V43-Y50 PolarHBondContact O-N 3.08Å; V43-A52 HydrophobicContact CG2-CB 3.87Å |
| 44 | D | 90.6 | Very high | 92.1 | Very high | 107 Ų | 107 | 65.4 Ų | 65.4 | 57% | 0.572 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 93.2 | 178.2 | -153.5 | -16.7 | 0 | 0 | 0 | 108.8 | K49 | D44-K49 HydrophobicContact CB-CG 4.37Å; D44-K49 WeakPolarHBondContact OD2-CE 3.47Å; D44-K49 IonicContact OD2-NZ 3.49Å; D44-K49 PolarHBondContact OD2-NZ 3.13Å |
| 45 | Q | 87.9 | Confident | 92.6 | Very high | 106 Ų | 106 | 62 Ų | 62 | 50% | 0.495 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 150.6 | 170.5 | -67 | 172.3 | 0.1 | 0 | 0 | 108.4 | V43 L47 N48 | V43-Q45 HydrophobicContact CG1-CG 4.03Å; Q45-L47 PolarHBondContact O-N 3Å; Q45-N48 HydrophobicContact CB-CB 4.46Å; Q45-N48 PolarHBondContact N-O 2.69Å; Q45-N48 CarbonylContact O-C 3.55Å; Q45-N48 PolarHBondContact O-N 2.8Å |
| 46 | L | 77.4 | Confident | 92.7 | Very high | 185 Ų | 185 | 61.3 Ų | 61.3 | 97% | 0.969 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.1 | -33 | -172.1 | -72.7 | 163 | 0 | 0 | 0 | 115.6 | ||
| 47 | L | 81.9 | Confident | 92.6 | Very high | 178 Ų | 178 | 57.6 Ų | 57.6 | 93% | 0.932 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.8 | 2.7 | -179.5 | -62.4 | 172.7 | 0 | 0 | 0 | 113.8 | Q45 | Q45-L47 PolarHBondContact O-N 3Š|
| 48 | N | 85.8 | Confident | 92.3 | Very high | 65 Ų | 65 | 59.4 Ų | 59.4 | 35% | 0.348 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 92 | -171.7 | -169.5 | 18.9 | 0 | 0 | 0 | 111 | Q45 | Q45-N48 HydrophobicContact CB-CB 4.46Å; Q45-N48 PolarHBondContact N-O 2.69Å; Q45-N48 CarbonylContact O-C 3.55Å; Q45-N48 PolarHBondContact O-N 2.8Å |
| 49 | K | 91.9 | Very high | 91.8 | Very high | 99 Ų | 99 | 60.3 Ų | 60.3 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 121.5 | 174.6 | -166.7 | -178.9 | -178 | 132.3 | 0 | 110.5 | V42 V43 D44 F106 | V42-K49 HydrophobicContact CG1-CG 4.21Å; V43-K49 CarbonylContact O-C 3.49Å; V43-K49 VanDerWaalsContact O-CA 3.27Å; V43-K49 WeakPolarHBondContact O-CA 3.42Å; D44-K49 HydrophobicContact CB-CG 4.37Å; D44-K49 WeakPolarHBondContact OD2-CE 3.47Å; D44-K49 IonicContact OD2-NZ 3.49Å; D44-K49 PolarHBondContact OD2-NZ 3.13Å; K49-F106 HydrophobicContact CB-CZ 4.06Å; K49-F106 HydrophobicContact CD-CE1 4.05Å; K49-F106 HydrophobicContact CD-CE2 3.93Å; K49-F106 HydrophobicContact CD-CZ 3.63Å; K49-F106 HydrophobicContact CG-CE1 3.72Å; K49-F106 HydrophobicContact CG-CE2 4.28Å; K49-F106 HydrophobicContact CG-CZ 3.48Å; K49-F106 VanDerWaalsContact CG-CZ 3.48Å |
| 50 | Y | 93.7 | Very high | 90.9 | Very high | 55 Ų | 55 | 60.7 Ų | 60.7 | 22% | 0.216 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 167.6 | -178.9 | 63.5 | -87.3 | 0 | 0 | 0 | 112.2 | V43 A52 R73 | V43-Y50 HydrophobicContact CB-CD1 4.13Å; V43-Y50 HydrophobicContact CB-CD2 4.2Å; V43-Y50 HydrophobicContact CB-CE1 3.76Å; V43-Y50 HydrophobicContact CB-CE2 3.85Å; V43-Y50 HydrophobicContact CB-CG 4.34Å; V43-Y50 HydrophobicContact CG1-CD1 4.42Å; V43-Y50 HydrophobicContact CG1-CE1 3.67Å; V43-Y50 HydrophobicContact CG1-CE2 4.39Å; V43-Y50 HydrophobicContact CG2-CD2 4.25Å; V43-Y50 HydrophobicContact CG2-CE1 4.43Å; V43-Y50 HydrophobicContact CG2-CE2 3.68Å; V43-Y50 PolarHBondContact N-O 2.98Å; V43-Y50 PolarHBondContact O-N 3.08Å; Y50-A52 HydrophobicContact CD2-CB 4.49Å; Y50-A52 HydrophobicContact CE2-CB 4.1Å; Y50-R73 HydrophobicContact CD2-CB 3.77Å; Y50-R73 HydrophobicContact CD2-CG 4.39Å; Y50-R73 HydrophobicContact CE2-CB 4.27Å |
| 51 | V | 95.8 | Very high | 89.4 | Confident | 13 Ų | 13 | 61 Ų | 61 | 8% | 0.079 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 123.7 | 173.2 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | R41 V42 Y53 R73 F106 I111 | R41-V51 WeakPolarHBondContact O-CA 3.21Å; V42-V51 HydrophobicContact CG2-CG2 4.47Å; V51-Y53 HydrophobicContact CB-CE2 4.42Å; V51-Y53 HydrophobicContact CG1-CE1 4.03Å; V51-Y53 HydrophobicContact CG1-CE2 4.11Å; V51-R73 WeakPolarHBondContact O-CA 3.5Å; V51-R73 WeakPolarHBondContact O-CB 3.43Å; V51-F106 HydrophobicContact CG2-CD1 3.99Å; V51-F106 HydrophobicContact CG2-CE1 4.12Å; V51-I111 HydrophobicContact CG1-CD1 4.4Å; V51-I111 HydrophobicContact CG1-CG1 4.33Å; V51-I111 HydrophobicContact CG1-CG2 4.04Å; V51-I111 HydrophobicContact CG2-CD1 3.93Å; V51-I111 HydrophobicContact CG2-CG1 4.09Å |
| 52 | A | 96.8 | Very high | 88 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 2% | 0.017 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 137.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | S40 R41 V43 Y50 | S40-A52 CarbonylContact C-O 3.57Å; S40-A52 WeakPolarHBondContact CA-O 3.46Å; R41-A52 HydrophobicContact CG-CB 4.18Å; R41-A52 PolarHBondContact N-O 3.11Å; R41-A52 PolarHBondContact O-N 3.45Å; V43-A52 HydrophobicContact CG2-CB 3.87Å; Y50-A52 HydrophobicContact CD2-CB 4.49Å; Y50-A52 HydrophobicContact CE2-CB 4.1Å |
| 53 | Y | 97.8 | Very high | 86.4 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 123 | 177 | -61.6 | -78.9 | 0 | 0 | 0 | 108.3 | I37 V51 I55 E71 R72 I111 R114 R115 L118 | I37-Y53 HydrophobicContact CG2-CD1 4.23Å; I37-Y53 HydrophobicContact CG2-CG 4.46Å; V51-Y53 HydrophobicContact CB-CE2 4.42Å; V51-Y53 HydrophobicContact CG1-CE1 4.03Å; V51-Y53 HydrophobicContact CG1-CE2 4.11Å; Y53-I55 PolarHBondContact O-N 3.48Å; Y53-E71 WeakPolarHBondContact O-CA 3.27Å; Y53-R72 WeakPolarHBondContact CB-O 3.49Å; Y53-R72 WeakPolarHBondContact CD2-O 3.46Å; Y53-R72 PolarHBondContact N-O 2.65Å; Y53-R72 PolarHBondContact O-N 3.45Å; Y53-I111 HydrophobicContact CE1-CG2 4.42Å; Y53-R114 WeakPolarHBondContact OH-CD 3.37Å; Y53-R114 WeakPolarHBondContact OH-CG 3.23Å; Y53-R115 HydrophobicContact CD1-CB 4.12Å; Y53-R115 HydrophobicContact CD1-CG 4.15Å; Y53-R115 HydrophobicContact CE1-CB 3.97Å; Y53-R115 HydrophobicContact CE1-CG 4.5Å; Y53-L118 HydrophobicContact CD1-CD1 4.42Å; Y53-L118 HydrophobicContact CD2-CD1 3.81Å; Y53-L118 HydrophobicContact CE1-CD1 4.35Å; Y53-L118 HydrophobicContact CE2-CD1 3.73Å; Y53-L118 HydrophobicContact CG-CD1 4.17Å |
| 54 | Q | 97.6 | Very high | 85.2 | Confident | 58 Ų | 58 | 65.6 Ų | 65.6 | 27% | 0.271 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 115.6 | 174.9 | -175.2 | -178 | 27 | 0 | 0 | 108.2 | I37 P38 S39 S69 I70 | I37-Q54 VanDerWaalsContact CA-O 3.27Å; I37-Q54 WeakPolarHBondContact CA-O 3.37Å; I37-Q54 VanDerWaalsContact CG2-O 3.31Å; I37-Q54 WeakPolarHBondContact CG2-O 3.48Å; P38-Q54 VanDerWaalsContact CD-O 3.31Å; P38-Q54 WeakPolarHBondContact CD-O 3.31Å; S39-Q54 PolarHBondContact O-N 3.2Å; S39-Q54 VanDerWaalsContact O-N 3.08Å; S39-Q54 WeakPolarHBondContact OG-CB 3.39Å; S39-Q54 PolarHBondContact OG-OE1 3.24Å; Q54-S69 PolarHBondContact NE2-OG 3.38Å; Q54-I70 CarbonylContact C-O 3.51Å; Q54-I70 WeakPolarHBondContact CA-O 3.39Å |
| 55 | I | 97.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 126 | 179.6 | -50.3 | 172 | 0 | 0 | 0 | 108.4 | E36 I37 Y53 S69 I70 R72 F77 L122 F140 F141 | E36-I55 CarbonylContact O-C 3.55Å; I37-I55 HydrophobicContact CD1-CG1 4.38Å; I37-I55 HydrophobicContact CG1-CG1 4.29Å; Y53-I55 PolarHBondContact O-N 3.48Å; I55-S69 CarbonylContact O-C 3.55Å; I55-S69 WeakPolarHBondContact O-CA 3.38Å; I55-I70 HydrophobicContact CB-CG1 3.96Å; I55-I70 PolarHBondContact N-O 3.41Å; I55-I70 PolarHBondContact O-N 2.7Å; I55-R72 HydrophobicContact CD1-CB 3.85Å; I55-R72 HydrophobicContact CD1-CG 3.75Å; I55-F77 HydrophobicContact CD1-CE1 4.35Å; I55-F77 HydrophobicContact CD1-CE2 4.07Å; I55-F77 HydrophobicContact CD1-CZ 3.51Å; I55-F77 HydrophobicContact CG1-CZ 4.3Å; I55-L122 HydrophobicContact CD1-CD1 4.33Å; I55-L122 HydrophobicContact CG2-CD1 3.95Å; I55-F140 HydrophobicContact CD1-CE1 3.7Å; I55-F140 HydrophobicContact CD1-CZ 3.84Å; I55-F141 HydrophobicContact CG2-CE1 4.05Å |
| 56 | V | 94.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 130.1 | 176.9 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | F35 E36 P38 M58 R67 V68 | F35-V56 WeakPolarHBondContact CA-O 3.38Å; E36-V56 HydrophobicContact CB-CB 4.4Å; E36-V56 PolarHBondContact N-O 3.38Å; E36-V56 PolarHBondContact O-N 3.37Å; P38-V56 HydrophobicContact CG-CG2 3.73Å; V56-M58 HydrophobicContact CG1-CG 3.75Å; V56-M58 HydrophobicContact CG1-SD 4.03Å; V56-R67 HydrophobicContact CG1-CG 3.58Å; V56-V68 WeakPolarHBondContact CA-O 3.42Å |
| 57 | V | 92.4 | Very high | 83.2 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 123.3 | 178.3 | -174.5 | 0 | 0 | 0 | 0 | 109.2 | L33 F35 V68 F141 K174 | L33-V57 HydrophobicContact CD1-CG1 3.75Å; L33-V57 HydrophobicContact CD2-CG1 4.48Å; L33-V57 HydrophobicContact CG-CG1 4.24Å; F35-V57 HydrophobicContact CD1-CG2 4.2Å; F35-V57 HydrophobicContact CE1-CG1 4.22Å; F35-V57 HydrophobicContact CE1-CG2 4.33Å; V57-V68 HydrophobicContact CB-CG1 4.35Å; V57-V68 PolarHBondContact N-O 3.3Å; V57-F141 HydrophobicContact CG2-CD1 3.74Å; V57-F141 HydrophobicContact CG2-CE1 3.98Å; V57-K174 HydrophobicContact CB-CD 4.43Å; V57-K174 HydrophobicContact CG1-CB 4.29Å; V57-K174 HydrophobicContact CG1-CD 4.19Å; V57-K174 WeakPolarHBondContact O-CD 3.42Å; V57-K174 PolarHBondContact O-NZ 2.8Å |
| 58 | M | 88.4 | Confident | 83.7 | Confident | 38 Ų | 38 | 58.1 Ų | 58.1 | 19% | 0.187 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 145.5 | -175.3 | -58.8 | -174.3 | -68.9 | 0 | 0 | 112.8 | L33 L34 E36 V56 D64 | L33-M58 CarbonylContact C-O 3.52Å; L33-M58 WeakPolarHBondContact CA-O 3.31Å; L34-M58 PolarHBondContact N-O 3.35Å; L34-M58 PolarHBondContact O-N 2.85Å; E36-M58 HydrophobicContact CB-CE 4.25Å; E36-M58 HydrophobicContact CG-CE 3.64Å; E36-M58 VanDerWaalsContact OE1-CE 3.23Å; E36-M58 WeakPolarHBondContact OE1-CE 3.43Å; E36-M58 VanDerWaalsContact OE2-CE 3.28Å; E36-M58 WeakPolarHBondContact OE2-CE 3.23Å; V56-M58 HydrophobicContact CG1-CG 3.75Å; V56-M58 HydrophobicContact CG1-SD 4.03Å; M58-D64 VanDerWaalsContact CA-OD2 3.23Å; M58-D64 WeakPolarHBondContact CA-OD2 3.37Å |
| 59 | R | 85.2 | Confident | 84.1 | Confident | 73 Ų | 73 | 57.3 Ų | 57.3 | 28% | 0.275 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 102.7 | 170.5 | -72.3 | -169.9 | -61.9 | -162.4 | 0.8 | 110.4 | V31 R32 L33 S62 D64 E173 K174 | V31-R59 HydrophobicContact CG1-CB 4.03Å; V31-R59 HydrophobicContact CG1-CG 4.3Å; R32-R59 CarbonylContact O-C 3.56Å; R32-R59 WeakPolarHBondContact O-CA 3.27Å; L33-R59 HydrophobicContact CD1-CG 3.87Å; R59-S62 WeakPolarHBondContact CB-OG 3.24Å; R59-S62 PolarHBondContact O-OG 2.96Å; R59-D64 PolarHBondContact N-OD2 3.31Å; R59-E173 PolarHBondContact NH1-O 3.18Å; R59-K174 HydrophobicContact CG-CB 4.11Å; R59-K174 HydrophobicContact CG-CG 4.15Å |
| 60 | S | 75.3 | Confident | 84.3 | Confident | 56 Ų | 56 | 52.9 Ų | 52.9 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 146.5 | 171.6 | -170.9 | 0 | 0 | 0 | 0 | 111.1 | V31 R32 S62 | V31-S60 VanDerWaalsContact CA-O 3.25Å; V31-S60 WeakPolarHBondContact CA-O 3.47Å; R32-S60 PolarHBondContact N-O 3.12Å; R32-S60 PolarHBondContact O-N 3Å; S60-S62 VanDerWaalsContact C-N 3.32Å |
| 61 | G | 65.2 | Low | 84.4 | Confident | 48 Ų | 48 | 53.8 Ų | 53.8 | 50% | 0.495 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -5.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 62 | S | 65 | Low | 84.5 | Confident | 51 Ų | 51 | 53.7 Ų | 53.7 | 36% | 0.357 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -120.8 | 159.6 | 168.7 | 60.4 | 0 | 0 | 0 | 0 | 110.2 | R59 S60 D64 | R59-S62 WeakPolarHBondContact CB-OG 3.24Å; R59-S62 PolarHBondContact O-OG 2.96Å; S60-S62 VanDerWaalsContact C-N 3.32Å; S62-D64 VanDerWaalsContact C-N 3.29Å; S62-D64 PolarHBondContact O-N 3.5Å |
| 63 | F | 60.2 | Low | 84.5 | Confident | 193 Ų | 193 | 57.8 Ų | 57.8 | 85% | 0.846 | 29% | 0.288 | S | S | * | . | trans | -69.5 | 91.9 | 168.8 | -173.8 | -104.7 | 0 | 0 | 0 | 108.7 | S65 | F63-S65 VanDerWaalsContact C-N 3.32Å; F63-S65 PolarHBondContact O-N 3.09Å | ||
| 64 | D | 67.6 | Low | 84.4 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 26% | 0.257 | 29% | 0.294 | S | S | . | . | trans | -80.6 | 83.9 | 176.8 | -160.5 | 2.7 | 0 | 0 | 0 | 109.3 | M58 R59 S62 R66 K174 | M58-D64 VanDerWaalsContact CA-OD2 3.23Å; M58-D64 WeakPolarHBondContact CA-OD2 3.37Å; R59-D64 PolarHBondContact N-OD2 3.31Å; S62-D64 VanDerWaalsContact C-N 3.29Å; S62-D64 PolarHBondContact O-N 3.5Å; D64-R66 PolarHBondContact O-N 3.05Å; D64-R66 VanDerWaalsContact OD1-O 3.09Å; D64-K174 IonicContact OD1-NZ 3.53Å; D64-K174 PolarHBondContact OD1-NZ 2.82Å; D64-K174 IonicContact OD2-NZ 3.8Å; D64-K174 PolarHBondContact OD2-NZ 2.77Å | ||
| 65 | S | 61.5 | Low | 84.3 | Confident | 86 Ų | 86 | 58.3 Ų | 58.3 | 60% | 0.601 | 29% | 0.294 | S | S | * | . | trans | -69.1 | -18.3 | -173.4 | 60.7 | 0 | 0 | 0 | 0 | 114.1 | F63 | F63-S65 VanDerWaalsContact C-N 3.32Å; F63-S65 PolarHBondContact O-N 3.09Å | ||
| 66 | R | 73.2 | Confident | 84.4 | Confident | 166 Ų | 166 | 59.3 Ų | 59.3 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | trans | -127.5 | 126 | -175.3 | -58.8 | -175.8 | -174.9 | -178.6 | 1 | 109.8 | D64 E170 K174 | D64-R66 PolarHBondContact O-N 3.05Å; D64-R66 VanDerWaalsContact OD1-O 3.09Å; R66-E170 HydrophobicContact CB-CG 4.38Å; R66-E170 WeakPolarHBondContact CB-OE1 3.33Å; R66-E170 WeakPolarHBondContact CB-OE2 3.34Å; R66-K174 PolarHBondContact O-NZ 3.25Å | ||
| 67 | R | 80.7 | Confident | 84.5 | Confident | 159 Ų | 159 | 59.3 Ų | 59.3 | 60% | 0.6 | 30% | 0.3 | S | S | * | . | trans | -99.8 | 99.5 | 178 | -176.2 | -175.9 | 178.8 | -176.1 | 5.2 | 107.8 | V56 | V56-R67 HydrophobicContact CG1-CG 3.58Š| ||
| 68 | V | 91.6 | Very high | 84.8 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 5% | 0.048 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 139.7 | 172.4 | 66.5 | 0 | 0 | 0 | 0 | 111.5 | V56 V57 T167 E170 I171 K174 | V56-V68 WeakPolarHBondContact CA-O 3.42Å; V57-V68 HydrophobicContact CB-CG1 4.35Å; V57-V68 PolarHBondContact N-O 3.3Å; V68-T167 HydrophobicContact CG2-CG2 3.64Å; V68-E170 HydrophobicContact CB-CB 4.32Å; V68-E170 HydrophobicContact CB-CG 4.01Å; V68-E170 VanDerWaalsContact CB-OE1 3.32Å; V68-E170 WeakPolarHBondContact CB-OE1 3.48Å; V68-E170 HydrophobicContact CG1-CG 4.12Å; V68-E170 HydrophobicContact CG2-CB 4.49Å; V68-E170 PolarHBondContact N-OE1 3.37Å; V68-E170 VanDerWaalsContact N-OE1 3.12Å; V68-I171 HydrophobicContact CB-CG1 4.24Å; V68-I171 HydrophobicContact CG1-CD1 4.49Å; V68-I171 HydrophobicContact CG1-CG1 3.53Å; V68-I171 HydrophobicContact CG2-CD1 3.96Å; V68-I171 HydrophobicContact CG2-CG1 3.7Å; V68-K174 HydrophobicContact CG1-CD 3.93Å |
| 69 | S | 93.6 | Very high | 85.3 | Confident | 49 Ų | 49 | 65 Ų | 65 | 34% | 0.343 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 145.8 | 174 | 73.5 | 0 | 0 | 0 | 0 | 111.6 | Q54 I55 | Q54-S69 PolarHBondContact NE2-OG 3.38Å; I55-S69 CarbonylContact O-C 3.55Å; I55-S69 WeakPolarHBondContact O-CA 3.38Å |
| 70 | I | 96.3 | Very high | 85.9 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 165.7 | 174.6 | 60.5 | 176.4 | 0 | 0 | 0 | 109.9 | Q54 I55 R72 F141 E145 T167 I171 | Q54-I70 CarbonylContact C-O 3.51Å; Q54-I70 WeakPolarHBondContact CA-O 3.39Å; I55-I70 HydrophobicContact CB-CG1 3.96Å; I55-I70 PolarHBondContact N-O 3.41Å; I55-I70 PolarHBondContact O-N 2.7Å; I70-R72 HydrophobicContact CD1-CG 4.34Å; I70-F141 VanDerWaalsContact CD1-CA 3.45Å; I70-F141 HydrophobicContact CD1-CB 3.87Å; I70-F141 HydrophobicContact CD1-CD1 3.71Å; I70-F141 HydrophobicContact CD1-CG 4.23Å; I70-F141 VanDerWaalsContact CD1-O 3.32Å; I70-F141 WeakPolarHBondContact CD1-O 3.49Å; I70-E145 HydrophobicContact CG2-CG 4.48Å; I70-T167 HydrophobicContact CG2-CG2 4.14Å; I70-I171 HydrophobicContact CG2-CD1 3.41Å; I70-I171 VanDerWaalsContact CG2-CD1 3.41Å |
| 71 | E | 96.9 | Very high | 87 | Confident | 75 Ų | 75 | 60.3 Ų | 60.3 | 35% | 0.35 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 133.9 | 172.7 | -67.5 | -168.1 | 151.1 | 0 | 0 | 111.3 | R41 Y53 | R41-E71 IonicContact CZ-OE1 3.46Å; R41-E71 IonicContact CZ-OE2 2.77Å; R41-E71 IonicContact NE-OE1 2.69Å; R41-E71 PolarHBondContact NE-OE1 3.16Å; R41-E71 IonicContact NE-OE2 2.75Å; R41-E71 PolarHBondContact NE-OE2 2.98Å; R41-E71 IonicContact NH2-OE1 2.69Å; R41-E71 IonicContact NH2-OE2 3.58Å; R41-E71 PolarHBondContact NH2-OE2 3.11Å; Y53-E71 WeakPolarHBondContact O-CA 3.27Å |
| 72 | R | 97.8 | Very high | 88.5 | Confident | 11 Ų | 11 | 62.8 Ų | 62.8 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 146.2 | 172.5 | -64.2 | -65.6 | 179.8 | -95.2 | 2.8 | 110.2 | Y53 I55 I70 D76 F77 F140 F141 E145 | Y53-R72 WeakPolarHBondContact CB-O 3.49Å; Y53-R72 WeakPolarHBondContact CD2-O 3.46Å; Y53-R72 PolarHBondContact N-O 2.65Å; Y53-R72 PolarHBondContact O-N 3.45Å; I55-R72 HydrophobicContact CD1-CB 3.85Å; I55-R72 HydrophobicContact CD1-CG 3.75Å; I70-R72 HydrophobicContact CD1-CG 4.34Å; R72-D76 HydrophobicContact CB-CB 4.32Å; R72-F77 HydrophobicContact CB-CD2 4.38Å; R72-F77 HydrophobicContact CB-CE2 3.85Å; R72-F140 HydrophobicContact CB-CE2 4.41Å; R72-F140 HydrophobicContact CB-CZ 4.08Å; R72-F140 HydrophobicContact CG-CE1 4.31Å; R72-F140 HydrophobicContact CG-CE2 4.05Å; R72-F140 HydrophobicContact CG-CZ 3.75Å; R72-F140 VanDerWaalsContact CZ-O 3.3Å; R72-F140 PolarHBondContact NE-O 3.04Å; R72-F140 PolarHBondContact NH2-O 3.37Å; R72-F141 VanDerWaalsContact NH2-C 3.31Å; R72-F141 PolarHBondContact NH2-O 3.19Å; R72-E145 IonicContact CZ-OE1 3.52Å; R72-E145 IonicContact CZ-OE2 2.74Å; R72-E145 IonicContact NH1-OE1 3.47Å; R72-E145 PolarHBondContact NH1-OE1 3.12Å; R72-E145 IonicContact NH1-OE2 3.83Å; R72-E145 PolarHBondContact NH1-OE2 3.28Å; R72-E145 IonicContact NH2-OE1 3.44Å; R72-E145 PolarHBondContact NH2-OE1 2.99Å; R72-E145 IonicContact NH2-OE2 2.78Å; R72-E145 PolarHBondContact NH2-OE2 3.3Å |
| 73 | R | 96.1 | Very high | 90.1 | Very high | 87 Ų | 87 | 63 Ų | 63 | 33% | 0.328 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 162.8 | 170.8 | 54.7 | 172.2 | -173.3 | 163.4 | 14.2 | 110.2 | Y50 V51 S75 D76 F77 | Y50-R73 HydrophobicContact CD2-CB 3.77Å; Y50-R73 HydrophobicContact CD2-CG 4.39Å; Y50-R73 HydrophobicContact CE2-CB 4.27Å; V51-R73 WeakPolarHBondContact O-CA 3.5Å; V51-R73 WeakPolarHBondContact O-CB 3.43Å; R73-S75 VanDerWaalsContact CD-OG 3.23Å; R73-S75 WeakPolarHBondContact CD-OG 3.27Å; R73-S75 WeakPolarHBondContact CG-OG 3.42Å; R73-S75 VanDerWaalsContact CZ-OG 3.22Å; R73-S75 PolarHBondContact NE-OG 3.48Å; R73-S75 PolarHBondContact O-N 3.29Å; R73-S75 VanDerWaalsContact O-N 3.11Å; R73-D76 WeakPolarHBondContact CG-OD2 3.48Å; R73-D76 PolarHBondContact N-OD2 3.07Å; R73-D76 IonicContact NE-OD1 3.52Å; R73-D76 WeakPolarHBondContact O-CB 3.25Å; R73-D76 PolarHBondContact O-N 3.04Å; R73-F77 WeakPolarHBondContact O-CD2 3.43Å |
| 74 | Y | 96.7 | Very high | 91.8 | Very high | 29 Ų | 29 | 53.9 Ų | 53.9 | 11% | 0.114 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -50.8 | -40.2 | -179.8 | 174.6 | -98.1 | 0 | 0 | 0 | 113.5 | D76 F77 L78 L97 P98 K100 L118 | Y74-D76 PolarHBondContact O-N 3.36Å; Y74-F77 WeakPolarHBondContact O-CB 3.47Å; Y74-F77 PolarHBondContact O-N 3.35Å; Y74-F77 VanDerWaalsContact O-N 3.13Å; Y74-L78 HydrophobicContact CE1-CB 4.44Å; Y74-L78 HydrophobicContact CE1-CD2 4.47Å; Y74-L78 PolarHBondContact O-N 3.02Å; Y74-L97 HydrophobicContact CE2-CD2 4.41Å; Y74-L97 HydrophobicContact CE2-CG 4.48Å; Y74-P98 WeakPolarHBondContact CE2-O 3.45Å; Y74-P98 PolarHBondContact OH-O 3.33Å; Y74-K100 HydrophobicContact CE1-CB 3.97Å; Y74-K100 HydrophobicContact CE1-CG 4Å; Y74-K100 PolarHBondContact OH-N 2.83Å; Y74-L118 HydrophobicContact CD2-CD2 4.42Å |
| 75 | S | 95.9 | Very high | 93.2 | Very high | 41 Ų | 41 | 54 Ų | 54 | 29% | 0.287 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.6 | -22.7 | 179.7 | 58 | 0 | 0 | 0 | 0 | 113.8 | R73 R79 | R73-S75 VanDerWaalsContact CD-OG 3.23Å; R73-S75 WeakPolarHBondContact CD-OG 3.27Å; R73-S75 WeakPolarHBondContact CG-OG 3.42Å; R73-S75 VanDerWaalsContact CZ-OG 3.22Å; R73-S75 PolarHBondContact NE-OG 3.48Å; R73-S75 PolarHBondContact O-N 3.29Å; R73-S75 VanDerWaalsContact O-N 3.11Å; S75-R79 WeakPolarHBondContact O-CB 3.48Å; S75-R79 PolarHBondContact O-N 2.85Å |
| 76 | D | 97.8 | Very high | 94.9 | Very high | 22 Ų | 22 | 57.8 Ų | 57.8 | 12% | 0.118 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.9 | -39.3 | 174.1 | -55.6 | -42.7 | 0 | 0 | 0 | 110.6 | R72 R73 Y74 L78 R79 L80 F140 | R72-D76 HydrophobicContact CB-CB 4.32Å; R73-D76 WeakPolarHBondContact CG-OD2 3.48Å; R73-D76 PolarHBondContact N-OD2 3.07Å; R73-D76 IonicContact NE-OD1 3.52Å; R73-D76 WeakPolarHBondContact O-CB 3.25Å; R73-D76 PolarHBondContact O-N 3.04Å; Y74-D76 PolarHBondContact O-N 3.36Å; D76-L78 VanDerWaalsContact C-N 3.35Å; D76-R79 PolarHBondContact O-N 2.97Å; D76-R79 IonicContact OD1-CZ 2.77Å; D76-R79 IonicContact OD1-NH1 3.94Å; D76-R79 IonicContact OD1-NH2 3.9Å; D76-R79 PolarHBondContact OD1-NH2 3.14Å; D76-L80 PolarHBondContact O-N 2.87Å; D76-F140 HydrophobicContact CB-CE2 4.25Å |
| 77 | F | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 171.4 | -70.8 | -97.9 | 0 | 0 | 0 | 111.6 | I37 I55 R72 R73 Y74 R79 L80 H81 L97 L118 Y121 L122 F140 | I37-F77 HydrophobicContact CD1-CZ 4.23Å; I55-F77 HydrophobicContact CD1-CE1 4.35Å; I55-F77 HydrophobicContact CD1-CE2 4.07Å; I55-F77 HydrophobicContact CD1-CZ 3.51Å; I55-F77 HydrophobicContact CG1-CZ 4.3Å; R72-F77 HydrophobicContact CB-CD2 4.38Å; R72-F77 HydrophobicContact CB-CE2 3.85Å; R73-F77 WeakPolarHBondContact O-CD2 3.43Å; Y74-F77 WeakPolarHBondContact O-CB 3.47Å; Y74-F77 PolarHBondContact O-N 3.35Å; Y74-F77 VanDerWaalsContact O-N 3.13Å; F77-R79 VanDerWaalsContact C-N 3.34Å; F77-R79 PolarHBondContact O-N 3.37Å; F77-L80 WeakPolarHBondContact O-CB 3.47Å; F77-L80 PolarHBondContact O-N 3.19Å; F77-H81 WeakPolarHBondContact O-CB 3.25Å; F77-H81 PolarHBondContact O-N 3.09Å; F77-L97 HydrophobicContact CB-CD1 3.95Å; F77-L118 HydrophobicContact CB-CD2 4.1Å; F77-L118 HydrophobicContact CD1-CD2 3.74Å; F77-L118 HydrophobicContact CD2-CD1 4.17Å; F77-L118 HydrophobicContact CD2-CD2 4.16Å; F77-L118 HydrophobicContact CE1-CB 4.17Å; F77-L118 HydrophobicContact CE1-CD2 4.06Å; F77-L118 HydrophobicContact CE2-CD1 3.98Å; F77-L118 HydrophobicContact CE2-CD2 4.48Å; F77-L118 HydrophobicContact CG-CD2 3.76Å; F77-L118 HydrophobicContact CZ-CB 4.23Å; F77-L118 HydrophobicContact CZ-CD1 4.21Å; F77-L118 HydrophobicContact CZ-CD2 4.42Å; F77-Y121 HydrophobicContact CD1-CD1 4.11Å; F77-Y121 HydrophobicContact CD1-CE1 4.25Å; F77-L122 HydrophobicContact CD1-CD2 4.36Å; F77-L122 HydrophobicContact CE1-CD1 3.96Å; F77-L122 HydrophobicContact CE1-CD2 3.84Å; F77-L122 HydrophobicContact CE1-CG 3.85Å; F77-L122 HydrophobicContact CZ-CD1 4.38Å; F77-F140 HydrophobicContact CD1-CE1 4.48Å; F77-F140 HydrophobicContact CD1-CE2 4.22Å; F77-F140 AromaticContact CD1-CZ 3.7Å; F77-F140 HydrophobicContact CD1-CZ 3.7Å; F77-F140 HydrophobicContact CD2-CE2 4.3Å; F77-F140 AromaticContact CD2-CZ 3.99Å; F77-F140 HydrophobicContact CD2-CZ 3.99Å; F77-F140 HydrophobicContact CE1-CE1 4.12Å; F77-F140 AromaticContact CE1-CZ 3.59Å; F77-F140 HydrophobicContact CE1-CZ 3.59Å; F77-F140 AromaticContact CE2-CZ 3.87Å; F77-F140 HydrophobicContact CE2-CZ 3.87Å; F77-F140 HydrophobicContact CG-CE2 4.12Å; F77-F140 AromaticContact CG-CZ 3.92Å; F77-F140 HydrophobicContact CG-CZ 3.92Å; F77-F140 HydrophobicContact CZ-CE1 4.34Å; F77-F140 AromaticContact CZ-CZ 3.69Å; F77-F140 HydrophobicContact CZ-CZ 3.69Å |
| 78 | L | 97.9 | Very high | 96.7 | Very high | 46 Ų | 46 | 48.8 Ų | 48.8 | 24% | 0.241 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.8 | -44.3 | 175.6 | -175.7 | 64.9 | 0 | 0 | 0 | 111.6 | Y74 D76 H81 H82 L97 | Y74-L78 HydrophobicContact CE1-CB 4.44Å; Y74-L78 HydrophobicContact CE1-CD2 4.47Å; Y74-L78 PolarHBondContact O-N 3.02Å; D76-L78 VanDerWaalsContact C-N 3.35Å; L78-H81 PolarHBondContact O-N 3.49Å; L78-H82 PolarHBondContact O-N 3.33Å; L78-L97 HydrophobicContact CB-CD2 4.14Å; L78-L97 HydrophobicContact CD1-CD2 3.63Å |
| 79 | R | 97.9 | Very high | 96.9 | Very high | 111 Ų | 111 | 53.4 Ų | 53.4 | 42% | 0.419 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 175.8 | -177.3 | 175.1 | 65.8 | -124 | -3 | 111.8 | S75 D76 F77 K83 E143 | S75-R79 WeakPolarHBondContact O-CB 3.48Å; S75-R79 PolarHBondContact O-N 2.85Å; D76-R79 PolarHBondContact O-N 2.97Å; D76-R79 IonicContact OD1-CZ 2.77Å; D76-R79 IonicContact OD1-NH1 3.94Å; D76-R79 IonicContact OD1-NH2 3.9Å; D76-R79 PolarHBondContact OD1-NH2 3.14Å; F77-R79 VanDerWaalsContact C-N 3.34Å; F77-R79 PolarHBondContact O-N 3.37Å; R79-K83 WeakPolarHBondContact O-CG 3.23Å; R79-K83 PolarHBondContact O-N 3.34Å; R79-E143 IonicContact NH2-OE2 3.38Å |
| 80 | L | 98.1 | Very high | 96.9 | Very high | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.8 | -50.4 | 173.4 | 171.9 | 64.4 | 0 | 0 | 0 | 110.6 | D76 F77 H82 K83 L84 L125 H136 F140 | D76-L80 PolarHBondContact O-N 2.87Å; F77-L80 WeakPolarHBondContact O-CB 3.47Å; F77-L80 PolarHBondContact O-N 3.19Å; L80-H82 VanDerWaalsContact C-N 3.34Å; L80-H82 PolarHBondContact O-N 2.82Å; L80-K83 PolarHBondContact O-N 2.92Å; L80-L84 HydrophobicContact CD1-CD1 3.82Å; L80-L84 HydrophobicContact CD1-CD2 4.35Å; L80-L84 HydrophobicContact CD1-CG 3.87Å; L80-L84 HydrophobicContact CD2-CD1 4.37Å; L80-L84 HydrophobicContact CG-CD1 3.81Å; L80-L84 HydrophobicContact CG-CG 4.25Å; L80-L84 WeakPolarHBondContact O-CG 3.49Å; L80-L84 PolarHBondContact O-N 3.36Å; L80-L125 HydrophobicContact CD2-CD1 3.85Å; L80-H136 HydrophobicContact CD1-CB 4.2Å; L80-H136 WeakPolarHBondContact CD1-O 3.4Å; L80-F140 HydrophobicContact CB-CD2 3.92Å; L80-F140 HydrophobicContact CB-CE2 4.47Å; L80-F140 HydrophobicContact CD1-CB 4.13Å; L80-F140 HydrophobicContact CD2-CB 3.89Å; L80-F140 HydrophobicContact CD2-CD1 4.17Å; L80-F140 HydrophobicContact CD2-CD2 3.74Å; L80-F140 HydrophobicContact CD2-CE2 4.29Å; L80-F140 HydrophobicContact CD2-CG 3.66Å; L80-F140 HydrophobicContact CG-CB 4.46Å; L80-F140 HydrophobicContact CG-CD2 4.34Å |
| 81 | H | 98 | Very high | 96.9 | Very high | 25 Ų | 25 | 63.7 Ų | 63.7 | 12% | 0.116 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.6 | -45.4 | -176.6 | -171 | 43.4 | 0 | 0 | 0 | 111.9 | F77 L78 L84 L85 V95 L97 Y121 | F77-H81 WeakPolarHBondContact O-CB 3.25Å; F77-H81 PolarHBondContact O-N 3.09Å; L78-H81 PolarHBondContact O-N 3.49Å; H81-L84 PolarHBondContact O-N 3.47Å; H81-L85 WeakPolarHBondContact O-CG 3.17Å; H81-L85 PolarHBondContact O-N 3.25Å; H81-V95 PolarHBondContact CE1-O 3.32Å; H81-L97 HydrophobicContact CB-CB 4.47Å; H81-L97 HydrophobicContact CB-CD2 4.03Å; H81-Y121 VanDerWaalsContact CB-OH 3.25Å; H81-Y121 WeakPolarHBondContact CB-OH 3.49Å; H81-Y121 PolarHBondContact ND1-OH 3.19Å; H81-Y121 VanDerWaalsContact ND1-OH 3.14Å |
| 82 | H | 97.6 | Very high | 96.7 | Very high | 99 Ų | 99 | 60.3 Ų | 60.3 | 46% | 0.458 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 176.4 | -65.9 | 168.1 | 0 | 0 | 0 | 112.5 | L78 L80 L84 L85 E86 | L78-H82 PolarHBondContact O-N 3.33Å; L80-H82 VanDerWaalsContact C-N 3.34Å; L80-H82 PolarHBondContact O-N 2.82Å; H82-L84 PolarHBondContact O-N 3.28Å; H82-L85 PolarHBondContact O-N 3.43Å; H82-E86 WeakPolarHBondContact O-CG 3.47Å; H82-E86 PolarHBondContact O-N 3.44Å |
| 83 | K | 97.4 | Very high | 96.5 | Very high | 57 Ų | 57 | 67.4 Ų | 67.4 | 25% | 0.248 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.7 | -37.9 | 175.5 | -73.7 | -178 | 174.2 | -171.9 | 0 | 112.2 | R79 L80 | R79-K83 WeakPolarHBondContact O-CG 3.23Å; R79-K83 PolarHBondContact O-N 3.34Å; L80-K83 PolarHBondContact O-N 2.92Å |
| 84 | L | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.8 | -37.7 | 178.8 | -68.1 | 176.2 | 0 | 0 | 0 | 112.3 | L80 H81 H82 E86 E87 F88 L92 L125 V131 H136 | L80-L84 HydrophobicContact CD1-CD1 3.82Å; L80-L84 HydrophobicContact CD1-CD2 4.35Å; L80-L84 HydrophobicContact CD1-CG 3.87Å; L80-L84 HydrophobicContact CD2-CD1 4.37Å; L80-L84 HydrophobicContact CG-CD1 3.81Å; L80-L84 HydrophobicContact CG-CG 4.25Å; L80-L84 WeakPolarHBondContact O-CG 3.49Å; L80-L84 PolarHBondContact O-N 3.36Å; H81-L84 PolarHBondContact O-N 3.47Å; H82-L84 PolarHBondContact O-N 3.28Å; L84-E86 VanDerWaalsContact C-N 3.29Å; L84-E86 PolarHBondContact O-N 2.96Å; L84-E87 PolarHBondContact O-N 2.86Å; L84-F88 HydrophobicContact CD2-CD2 3.96Å; L84-F88 HydrophobicContact CD2-CE2 4.06Å; L84-F88 WeakPolarHBondContact O-CA 3.49Å; L84-F88 WeakPolarHBondContact O-CB 3.29Å; L84-F88 PolarHBondContact O-N 3.33Å; L84-L92 HydrophobicContact CB-CD1 3.6Å; L84-L92 HydrophobicContact CD1-CD1 4.49Å; L84-L125 HydrophobicContact CD1-CD1 3.82Å; L84-L125 HydrophobicContact CD1-CD2 3.78Å; L84-L125 HydrophobicContact CD1-CG 4.44Å; L84-V131 HydrophobicContact CD1-CG1 3.79Å; L84-V131 HydrophobicContact CD2-CG1 3.89Å; L84-V131 HydrophobicContact CD2-CG2 4.23Å; L84-H136 HydrophobicContact CD2-CB 3.75Å |
| 85 | L | 97.1 | Very high | 96.2 | Very high | 51 Ų | 51 | 69.2 Ų | 69.2 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.4 | -29.1 | 175.4 | -66.6 | 177.5 | 0 | 0 | 0 | 112.2 | H81 H82 E87 D89 L92 | H81-L85 WeakPolarHBondContact O-CG 3.17Å; H81-L85 PolarHBondContact O-N 3.25Å; H82-L85 PolarHBondContact O-N 3.43Å; L85-E87 PolarHBondContact O-N 3.28Å; L85-D89 WeakPolarHBondContact O-CB 3.44Å; L85-D89 PolarHBondContact O-N 3.36Å; L85-L92 HydrophobicContact CD2-CB 3.88Å; L85-L92 HydrophobicContact CD2-CD1 4.21Å |
| 86 | E | 96.8 | Very high | 96.1 | Very high | 166 Ų | 166 | 73.4 Ų | 73.4 | 78% | 0.776 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.7 | -27.4 | 173.3 | -72.6 | 170.2 | -167.9 | 0 | 0 | 113 | H82 L84 | H82-E86 WeakPolarHBondContact O-CG 3.47Å; H82-E86 PolarHBondContact O-N 3.44Å; L84-E86 VanDerWaalsContact C-N 3.29Å; L84-E86 PolarHBondContact O-N 2.96Å |
| 87 | E | 95.8 | Very high | 96.1 | Very high | 117 Ų | 117 | 73.4 Ų | 73.4 | 55% | 0.547 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -112.3 | -28 | -176.1 | -163.8 | -178 | 176.1 | 0 | 0 | 113.9 | L84 L85 H136 | L84-E87 PolarHBondContact O-N 2.86Å; L85-E87 PolarHBondContact O-N 3.28Å; E87-H136 IonicContact OE2-CD2 3.55Å; E87-H136 PolarHBondContact OE2-CD2 3.01Å; E87-H136 IonicContact OE2-NE2 3.86Å |
| 88 | F | 95.8 | Very high | 96 | Very high | 19 Ų | 19 | 74 Ų | 74 | 8% | 0.083 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -137.4 | 36.6 | -167.9 | -47.3 | -64.9 | 0 | 0 | 0 | 112.9 | L84 E90 E91 L92 C130 V131 | L84-F88 HydrophobicContact CD2-CD2 3.96Å; L84-F88 HydrophobicContact CD2-CE2 4.06Å; L84-F88 WeakPolarHBondContact O-CA 3.49Å; L84-F88 WeakPolarHBondContact O-CB 3.29Å; L84-F88 PolarHBondContact O-N 3.33Å; F88-E90 PolarHBondContact O-N 3.34Å; F88-E91 VanDerWaalsContact CA-OE2 3.28Å; F88-E91 WeakPolarHBondContact CA-OE2 3.27Å; F88-E91 PolarHBondContact O-N 2.95Å; F88-L92 HydrophobicContact CB-CD1 4.2Å; F88-L92 HydrophobicContact CB-CG 4.42Å; F88-L92 WeakPolarHBondContact O-CB 3.28Å; F88-L92 WeakPolarHBondContact O-CG 3.23Å; F88-L92 PolarHBondContact O-N 3.46Å; F88-C130 HydrophobicContact CD1-CB 3.8Å; F88-C130 HydrophobicContact CE1-CB 3.82Å; F88-V131 HydrophobicContact CB-CG2 4.29Å; F88-V131 HydrophobicContact CD2-CG2 3.87Å; F88-V131 HydrophobicContact CG-CG2 4.2Å |
| 89 | D | 95.1 | Very high | 95.7 | Very high | 105 Ų | 105 | 76.9 Ų | 76.9 | 56% | 0.561 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -50.6 | -177.1 | -165.1 | 48.7 | 0 | 0 | 0 | 112.2 | L85 E91 L92 E93 | L85-D89 WeakPolarHBondContact O-CB 3.44Å; L85-D89 PolarHBondContact O-N 3.36Å; D89-E91 PolarHBondContact O-N 3.41Å; D89-L92 PolarHBondContact O-N 3.45Å; D89-L92 VanDerWaalsContact O-N 3.15Å; D89-E93 PolarHBondContact O-N 2.72Å |
| 90 | E | 94.8 | Very high | 95.5 | Very high | 169 Ų | 169 | 78.5 Ų | 78.5 | 79% | 0.79 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -61.8 | -42.7 | -178.7 | -63.8 | -176.6 | -178.8 | 0 | 0 | 111.8 | F88 L92 | F88-E90 PolarHBondContact O-N 3.34Å; E90-L92 PolarHBondContact O-N 3.47Å |
| 91 | E | 94.6 | Very high | 95 | Very high | 100 Ų | 100 | 81 Ų | 81 | 47% | 0.467 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -74.8 | -9.2 | -179.8 | -59.2 | 96.1 | 146.8 | 0 | 0 | 114.1 | F88 D89 T128 | F88-E91 VanDerWaalsContact CA-OE2 3.28Å; F88-E91 WeakPolarHBondContact CA-OE2 3.27Å; F88-E91 PolarHBondContact O-N 2.95Å; D89-E91 PolarHBondContact O-N 3.41Å; E91-T128 HydrophobicContact CB-CG2 4.16Å |
| 92 | L | 94.6 | Very high | 94.4 | Very high | 4 Ų | 4 | 87.5 Ų | 87.5 | 2% | 0.021 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -112 | 8.9 | -178.4 | -70.4 | 176.2 | 0 | 0 | 0 | 114.2 | L84 L85 F88 D89 E90 D94 V95 L125 T128 V131 | L84-L92 HydrophobicContact CB-CD1 3.6Å; L84-L92 HydrophobicContact CD1-CD1 4.49Å; L85-L92 HydrophobicContact CD2-CB 3.88Å; L85-L92 HydrophobicContact CD2-CD1 4.21Å; F88-L92 HydrophobicContact CB-CD1 4.2Å; F88-L92 HydrophobicContact CB-CG 4.42Å; F88-L92 WeakPolarHBondContact O-CB 3.28Å; F88-L92 WeakPolarHBondContact O-CG 3.23Å; F88-L92 PolarHBondContact O-N 3.46Å; D89-L92 PolarHBondContact O-N 3.45Å; D89-L92 VanDerWaalsContact O-N 3.15Å; E90-L92 PolarHBondContact O-N 3.47Å; L92-D94 PolarHBondContact O-N 3.49Å; L92-D94 VanDerWaalsContact O-N 3.15Å; L92-V95 HydrophobicContact CB-CB 4.47Å; L92-V95 HydrophobicContact CD2-CB 3.64Å; L92-V95 HydrophobicContact CD2-CG1 4.04Å; L92-V95 HydrophobicContact CD2-CG2 3.81Å; L92-V95 PolarHBondContact O-N 2.75Å; L92-L125 HydrophobicContact CD2-CD2 3.79Å; L92-T128 HydrophobicContact CD2-CG2 4.42Å; L92-V131 HydrophobicContact CD1-CG2 4.02Å; L92-V131 HydrophobicContact CD2-CG2 3.96Å; L92-V131 HydrophobicContact CG-CG2 4.17Å |
| 93 | E | 92.9 | Very high | 93.8 | Very high | 160 Ų | 160 | 88.4 Ų | 88.4 | 75% | 0.748 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -42.7 | 178.1 | -170.1 | 177.3 | -172.9 | 0 | 0 | 112.5 | D89 | D89-E93 PolarHBondContact O-N 2.72Š|
| 94 | D | 92.4 | Very high | 93.3 | Very high | 143 Ų | 143 | 87.4 Ų | 87.4 | 77% | 0.765 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -4.9 | -180 | -70.1 | -41.2 | 0 | 0 | 0 | 114.5 | L92 L96 | L92-D94 PolarHBondContact O-N 3.49Å; L92-D94 VanDerWaalsContact O-N 3.15Å; D94-L96 PolarHBondContact O-N 3.3Å |
| 95 | V | 94.4 | Very high | 92.8 | Very high | 11 Ų | 11 | 90 Ų | 90 | 7% | 0.067 | 47% | 0.468 | C | S | . | . | trans | -103 | 85.2 | -173.5 | -174 | 0 | 0 | 0 | 0 | 110.9 | H81 L92 Y121 K124 L125 | H81-V95 PolarHBondContact CE1-O 3.32Å; L92-V95 HydrophobicContact CB-CB 4.47Å; L92-V95 HydrophobicContact CD2-CB 3.64Å; L92-V95 HydrophobicContact CD2-CG1 4.04Å; L92-V95 HydrophobicContact CD2-CG2 3.81Å; L92-V95 PolarHBondContact O-N 2.75Å; V95-Y121 HydrophobicContact CG1-CD2 4.04Å; V95-Y121 HydrophobicContact CG1-CE2 3.95Å; V95-K124 HydrophobicContact CG1-CB 3.86Å; V95-K124 HydrophobicContact CG2-CB 4.26Å; V95-L125 HydrophobicContact CG1-CD2 3.77Å; V95-L125 HydrophobicContact CG1-CG 4.41Å | ||
| 96 | L | 94 | Very high | 92.6 | Very high | 129 Ų | 129 | 91.1 Ų | 91.1 | 68% | 0.675 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -84.2 | 130.1 | -177.7 | -54.7 | 179.4 | 0 | 0 | 0 | 112.7 | D94 Y121 | D94-L96 PolarHBondContact O-N 3.3Å; L96-Y121 WeakPolarHBondContact O-CD2 3.36Å |
| 97 | L | 97 | Very high | 92.5 | Very high | 23 Ų | 23 | 86.3 Ų | 86.3 | 12% | 0.12 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -75 | 140.6 | 166.6 | -176.4 | 73.9 | 0 | 0 | 0 | 110.2 | Y74 F77 L78 H81 L118 Y121 | Y74-L97 HydrophobicContact CE2-CD2 4.41Å; Y74-L97 HydrophobicContact CE2-CG 4.48Å; F77-L97 HydrophobicContact CB-CD1 3.95Å; L78-L97 HydrophobicContact CB-CD2 4.14Å; L78-L97 HydrophobicContact CD1-CD2 3.63Å; H81-L97 HydrophobicContact CB-CB 4.47Å; H81-L97 HydrophobicContact CB-CD2 4.03Å; L97-L118 HydrophobicContact CD1-CD2 4.09Å; L97-Y121 HydrophobicContact CB-CD2 4.41Å; L97-Y121 HydrophobicContact CB-CE2 4.04Å; L97-Y121 HydrophobicContact CD1-CD1 3.91Å; L97-Y121 HydrophobicContact CD1-CD2 4.19Å; L97-Y121 HydrophobicContact CD1-CE1 3.71Å; L97-Y121 HydrophobicContact CD1-CE2 4Å; L97-Y121 HydrophobicContact CD1-CG 4.14Å |
| 98 | P | 95.5 | Very high | 92.4 | Very high | 13 Ų | 13 | 85.5 Ų | 85.5 | 8% | 0.084 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 137.4 | 175 | -25 | 35.2 | 0 | 0 | 0 | 111.6 | Y74 A117 L118 | Y74-P98 WeakPolarHBondContact CE2-O 3.45Å; Y74-P98 PolarHBondContact OH-O 3.33Å; P98-A117 HydrophobicContact CB-CB 4.06Å; P98-A117 HydrophobicContact CG-CB 3.5Å; P98-A117 VanDerWaalsContact CG-CB 3.5Å; P98-L118 HydrophobicContact CG-CD2 3.96Å; P98-L118 HydrophobicContact CG-CG 4.25Å |
| 99 | P | 92.9 | Very high | 92.4 | Very high | 105 Ų | 105 | 90.9 Ų | 90.9 | 68% | 0.682 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 151.8 | -173 | 26.2 | -34.5 | 0 | 0 | 0 | 112.2 | L101 R114 | P99-L101 PolarHBondContact O-N 3.28Å; P99-R114 PolarHBondContact O-NH2 2.92Å |
| 100 | K | 92.3 | Very high | 92.4 | Very high | 145 Ų | 145 | 87.8 Ų | 87.8 | 63% | 0.63 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 128.2 | 174.1 | -169.8 | 177.2 | -178.8 | -176.8 | 0 | 108.9 | Y74 | Y74-K100 HydrophobicContact CE1-CB 3.97Å; Y74-K100 HydrophobicContact CE1-CG 4Å; Y74-K100 PolarHBondContact OH-N 2.83Å |
| 101 | L | 89.3 | Confident | 92.4 | Very high | 61 Ų | 61 | 80.5 Ų | 80.5 | 32% | 0.319 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -87.2 | 124.1 | 175.8 | -74 | 170.2 | 0 | 0 | 0 | 108.3 | P99 N110 R114 | P99-L101 PolarHBondContact O-N 3.28Å; L101-N110 HydrophobicContact CD1-CB 3.69Å; L101-R114 VanDerWaalsContact CB-NH2 3.34Å |
| 102 | L | 85.2 | Confident | 92.5 | Very high | 161 Ų | 161 | 79.7 Ų | 79.7 | 84% | 0.843 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -79.5 | -27.6 | 177.4 | -59.5 | 179.7 | 0 | 0 | 0 | 112.1 | ||
| 103 | T | 83.9 | Confident | 92.5 | Very high | 117 Ų | 117 | 85.6 Ų | 85.6 | 72% | 0.718 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -138.8 | 156.8 | 178.3 | 52.4 | 0 | 0 | 0 | 0 | 110.5 | N105 | T103-N105 VanDerWaalsContact C-N 3.29Å; T103-N105 PolarHBondContact O-N 2.95Å |
| 104 | G | 87 | Confident | 92.7 | Very high | 37 Ų | 37 | 79 Ų | 79 | 38% | 0.381 | 43% | 0.425 | S | S | . | . | trans | 70 | 20 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | F106 N107 N110 | G104-F106 PolarHBondContact O-N 3.39Å; G104-F106 VanDerWaalsContact O-N 3.13Å; G104-N107 VanDerWaalsContact O-CB 3.25Å; G104-N107 WeakPolarHBondContact O-CB 3.39Å; G104-N107 PolarHBondContact O-N 3.3Å; G104-N110 PolarHBondContact O-ND2 3.46Å | ||
| 105 | N | 87.9 | Confident | 92.9 | Very high | 53 Ų | 53 | 74.3 Ų | 74.3 | 28% | 0.283 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -15.5 | 178.7 | 68.5 | -56.9 | 0 | 0 | 0 | 114 | T103 I111 | T103-N105 VanDerWaalsContact C-N 3.29Å; T103-N105 PolarHBondContact O-N 2.95Å; N105-I111 WeakPolarHBondContact O-CG1 3.32Å |
| 106 | F | 92.5 | Very high | 93 | Very high | 76 Ų | 76 | 77.6 Ų | 77.6 | 33% | 0.333 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 1.2 | 173.9 | -57.5 | -66.9 | 0 | 0 | 0 | 113.6 | V42 K49 V51 G104 | V42-F106 HydrophobicContact CG1-CD1 3.88Å; V42-F106 HydrophobicContact CG1-CE1 3.92Å; V42-F106 HydrophobicContact CG2-CD1 4.18Å; K49-F106 HydrophobicContact CB-CZ 4.06Å; K49-F106 HydrophobicContact CD-CE1 4.05Å; K49-F106 HydrophobicContact CD-CE2 3.93Å; K49-F106 HydrophobicContact CD-CZ 3.63Å; K49-F106 HydrophobicContact CG-CE1 3.72Å; K49-F106 HydrophobicContact CG-CE2 4.28Å; K49-F106 HydrophobicContact CG-CZ 3.48Å; K49-F106 VanDerWaalsContact CG-CZ 3.48Å; V51-F106 HydrophobicContact CG2-CD1 3.99Å; V51-F106 HydrophobicContact CG2-CE1 4.12Å; G104-F106 PolarHBondContact O-N 3.39Å; G104-F106 VanDerWaalsContact O-N 3.13Å |
| 107 | N | 94.5 | Very high | 93.2 | Very high | 64 Ų | 64 | 73.2 Ų | 73.2 | 34% | 0.342 | 40% | 0.396 | S | S | . | . | trans | -66.6 | 130.1 | 172 | 178.3 | -36.7 | 0 | 0 | 0 | 108.6 | G104 E109 N110 I111 | G104-N107 VanDerWaalsContact O-CB 3.25Å; G104-N107 WeakPolarHBondContact O-CB 3.39Å; G104-N107 PolarHBondContact O-N 3.3Å; N107-E109 VanDerWaalsContact C-N 3.29Å; N107-E109 PolarHBondContact O-N 2.77Å; N107-E109 WeakPolarHBondContact OD1-CB 3.35Å; N107-E109 PolarHBondContact OD1-N 3.11Å; N107-N110 HydrophobicContact CB-CB 4.17Å; N107-N110 PolarHBondContact O-N 2.89Å; N107-I111 WeakPolarHBondContact O-CG1 3.17Å; N107-I111 PolarHBondContact O-N 3.27Å | ||
| 108 | P | 94.5 | Very high | 93.2 | Very high | 100 Ų | 100 | 72.1 Ų | 72.1 | 65% | 0.649 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -58.5 | -35.7 | -177.9 | 24.1 | -35.2 | 0 | 0 | 0 | 114 | I111 L112 | P108-I111 PolarHBondContact O-N 2.91Å; P108-L112 WeakPolarHBondContact O-CB 3.42Å; P108-L112 PolarHBondContact O-N 3Å |
| 109 | E | 94.9 | Very high | 93.3 | Very high | 133 Ų | 133 | 73.8 Ų | 73.8 | 62% | 0.621 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -66.1 | -48.6 | 177.6 | -64.2 | 175.9 | 167.5 | 0 | 0 | 110.5 | N107 I111 L112 E113 | N107-E109 VanDerWaalsContact C-N 3.29Å; N107-E109 PolarHBondContact O-N 2.77Å; N107-E109 WeakPolarHBondContact OD1-CB 3.35Å; N107-E109 PolarHBondContact OD1-N 3.11Å; E109-I111 VanDerWaalsContact C-N 3.29Å; E109-I111 PolarHBondContact O-N 3.31Å; E109-L112 WeakPolarHBondContact O-CB 3.46Å; E109-L112 PolarHBondContact O-N 3.43Å; E109-L112 VanDerWaalsContact O-N 3.1Å; E109-E113 WeakPolarHBondContact O-CG 3.45Å; E109-E113 PolarHBondContact O-N 3.07Å |
| 110 | N | 95.1 | Very high | 93.4 | Very high | 40 Ų | 40 | 73.2 Ų | 73.2 | 21% | 0.214 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.4 | -37.7 | 175.6 | -74.1 | -22.8 | 0 | 0 | 0 | 112.6 | L101 G104 N107 R114 | L101-N110 HydrophobicContact CD1-CB 3.69Å; G104-N110 PolarHBondContact O-ND2 3.46Å; N107-N110 HydrophobicContact CB-CB 4.17Å; N107-N110 PolarHBondContact O-N 2.89Å; N110-R114 VanDerWaalsContact O-CB 3.22Å; N110-R114 WeakPolarHBondContact O-CB 3.25Å; N110-R114 PolarHBondContact O-N 3.15Å |
| 111 | I | 95.5 | Very high | 93.7 | Very high | 15 Ų | 15 | 66.4 Ų | 66.4 | 8% | 0.077 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 175.6 | -70 | 170.8 | 0 | 0 | 0 | 110.1 | S40 V42 V51 Y53 N105 N107 P108 E109 R115 | S40-I111 WeakPolarHBondContact OG-CG2 3.39Å; V42-I111 HydrophobicContact CG2-CD1 4.26Å; V51-I111 HydrophobicContact CG1-CD1 4.4Å; V51-I111 HydrophobicContact CG1-CG1 4.33Å; V51-I111 HydrophobicContact CG1-CG2 4.04Å; V51-I111 HydrophobicContact CG2-CD1 3.93Å; V51-I111 HydrophobicContact CG2-CG1 4.09Å; Y53-I111 HydrophobicContact CE1-CG2 4.42Å; N105-I111 WeakPolarHBondContact O-CG1 3.32Å; N107-I111 WeakPolarHBondContact O-CG1 3.17Å; N107-I111 PolarHBondContact O-N 3.27Å; P108-I111 PolarHBondContact O-N 2.91Å; E109-I111 VanDerWaalsContact C-N 3.29Å; E109-I111 PolarHBondContact O-N 3.31Å; I111-R115 VanDerWaalsContact O-CB 3.27Å; I111-R115 WeakPolarHBondContact O-CB 3.4Å; I111-R115 PolarHBondContact O-N 2.76Å |
| 112 | L | 95.2 | Very high | 94.1 | Very high | 84 Ų | 84 | 63.5 Ų | 63.5 | 44% | 0.44 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.8 | -50.2 | 179.7 | 175.5 | 59.5 | 0 | 0 | 0 | 111.7 | P108 E109 R114 R115 L116 | P108-L112 WeakPolarHBondContact O-CB 3.42Å; P108-L112 PolarHBondContact O-N 3Å; E109-L112 WeakPolarHBondContact O-CB 3.46Å; E109-L112 PolarHBondContact O-N 3.43Å; E109-L112 VanDerWaalsContact O-N 3.1Å; L112-R114 PolarHBondContact O-N 3.44Å; L112-R115 WeakPolarHBondContact O-CB 3.23Å; L112-R115 PolarHBondContact O-N 3.03Å; L112-L116 HydrophobicContact CD1-CD1 4.47Å; L112-L116 WeakPolarHBondContact O-CG 3.35Å; L112-L116 PolarHBondContact O-N 3.04Å; L112-L116 VanDerWaalsContact O-N 3.09Å |
| 113 | E | 96 | Very high | 94.6 | Very high | 128 Ų | 128 | 58.4 Ų | 58.4 | 60% | 0.598 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -59 | -48 | 177.5 | -72.7 | -178.5 | 175.1 | 0 | 0 | 111.3 | E109 R115 L116 A117 | E109-E113 WeakPolarHBondContact O-CG 3.45Å; E109-E113 PolarHBondContact O-N 3.07Å; E113-R115 VanDerWaalsContact C-N 3.31Å; E113-R115 PolarHBondContact O-N 3.29Å; E113-L116 PolarHBondContact O-N 3.18Å; E113-A117 WeakPolarHBondContact O-CB 3.35Å; E113-A117 PolarHBondContact O-N 3Å |
| 114 | R | 96.6 | Very high | 95.2 | Very high | 22 Ų | 22 | 57.7 Ų | 57.7 | 8% | 0.083 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 176.6 | 179 | 173.6 | -77.9 | 147.6 | -2.9 | 111.9 | Y53 P99 L101 N110 L112 L116 A117 L118 | Y53-R114 WeakPolarHBondContact OH-CD 3.37Å; Y53-R114 WeakPolarHBondContact OH-CG 3.23Å; P99-R114 PolarHBondContact O-NH2 2.92Å; L101-R114 VanDerWaalsContact CB-NH2 3.34Å; N110-R114 VanDerWaalsContact O-CB 3.22Å; N110-R114 WeakPolarHBondContact O-CB 3.25Å; N110-R114 PolarHBondContact O-N 3.15Å; L112-R114 PolarHBondContact O-N 3.44Å; R114-L116 PolarHBondContact O-N 2.93Å; R114-A117 PolarHBondContact O-N 2.85Å; R114-L118 HydrophobicContact CG-CD1 3.84Å; R114-L118 HydrophobicContact CG-CG 4.05Å; R114-L118 WeakPolarHBondContact O-CB 3.48Å; R114-L118 VanDerWaalsContact O-CG 3.23Å; R114-L118 WeakPolarHBondContact O-CG 3.23Å; R114-L118 PolarHBondContact O-N 2.77Å |
| 115 | R | 96.7 | Very high | 95.6 | Very high | 44 Ų | 44 | 56 Ų | 56 | 17% | 0.166 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.7 | -47.6 | 178.1 | -176.3 | -177.6 | 65.3 | 74 | 0.2 | 111.1 | I37 Y53 I111 L112 E113 L118 Q119 | I37-R115 HydrophobicContact CB-CG 3.94Å; I37-R115 HydrophobicContact CG2-CG 3.54Å; I37-R115 VanDerWaalsContact O-CD 3.23Å; I37-R115 WeakPolarHBondContact O-CD 3.14Å; I37-R115 WeakPolarHBondContact O-CG 3.33Å; I37-R115 PolarHBondContact O-NH1 3.2Å; Y53-R115 HydrophobicContact CD1-CB 4.12Å; Y53-R115 HydrophobicContact CD1-CG 4.15Å; Y53-R115 HydrophobicContact CE1-CB 3.97Å; Y53-R115 HydrophobicContact CE1-CG 4.5Å; I111-R115 VanDerWaalsContact O-CB 3.27Å; I111-R115 WeakPolarHBondContact O-CB 3.4Å; I111-R115 PolarHBondContact O-N 2.76Å; L112-R115 WeakPolarHBondContact O-CB 3.23Å; L112-R115 PolarHBondContact O-N 3.03Å; E113-R115 VanDerWaalsContact C-N 3.31Å; E113-R115 PolarHBondContact O-N 3.29Å; R115-L118 PolarHBondContact O-N 2.95Å; R115-Q119 PolarHBondContact O-N 3.19Å; R115-Q119 VanDerWaalsContact O-N 3.11Å |
| 116 | L | 96.6 | Very high | 96 | Very high | 79 Ų | 79 | 54.6 Ų | 54.6 | 41% | 0.414 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 177.5 | -64.2 | 175.4 | 0 | 0 | 0 | 111 | L112 E113 R114 L118 Q119 D120 | L112-L116 HydrophobicContact CD1-CD1 4.47Å; L112-L116 WeakPolarHBondContact O-CG 3.35Å; L112-L116 PolarHBondContact O-N 3.04Å; L112-L116 VanDerWaalsContact O-N 3.09Å; E113-L116 PolarHBondContact O-N 3.18Å; R114-L116 PolarHBondContact O-N 2.93Å; L116-L118 VanDerWaalsContact C-N 3.33Å; L116-L118 PolarHBondContact O-N 3.44Å; L116-Q119 WeakPolarHBondContact O-CB 3.35Å; L116-Q119 PolarHBondContact O-N 2.69Å; L116-Q119 VanDerWaalsContact O-N 3.12Å; L116-D120 PolarHBondContact O-N 2.87Å |
| 117 | A | 97.3 | Very high | 96 | Very high | 37 Ų | 37 | 54.6 Ų | 54.6 | 31% | 0.306 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.6 | -35 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P98 E113 R114 Y121 | P98-A117 HydrophobicContact CB-CB 4.06Å; P98-A117 HydrophobicContact CG-CB 3.5Å; P98-A117 VanDerWaalsContact CG-CB 3.5Å; E113-A117 WeakPolarHBondContact O-CB 3.35Å; E113-A117 PolarHBondContact O-N 3Å; R114-A117 PolarHBondContact O-N 2.85Å; A117-Y121 VanDerWaalsContact O-CB 3.29Å; A117-Y121 WeakPolarHBondContact O-CB 3.18Å; A117-Y121 PolarHBondContact O-N 2.89Å |
| 118 | L | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.9 | -34.9 | 173.5 | -72.6 | 174.9 | 0 | 0 | 0 | 112.3 | I37 Y53 Y74 F77 L97 P98 R114 R115 L116 Y121 L122 | I37-L118 HydrophobicContact CD1-CB 3.81Å; Y53-L118 HydrophobicContact CD1-CD1 4.42Å; Y53-L118 HydrophobicContact CD2-CD1 3.81Å; Y53-L118 HydrophobicContact CE1-CD1 4.35Å; Y53-L118 HydrophobicContact CE2-CD1 3.73Å; Y53-L118 HydrophobicContact CG-CD1 4.17Å; Y74-L118 HydrophobicContact CD2-CD2 4.42Å; F77-L118 HydrophobicContact CB-CD2 4.1Å; F77-L118 HydrophobicContact CD1-CD2 3.74Å; F77-L118 HydrophobicContact CD2-CD1 4.17Å; F77-L118 HydrophobicContact CD2-CD2 4.16Å; F77-L118 HydrophobicContact CE1-CB 4.17Å; F77-L118 HydrophobicContact CE1-CD2 4.06Å; F77-L118 HydrophobicContact CE2-CD1 3.98Å; F77-L118 HydrophobicContact CE2-CD2 4.48Å; F77-L118 HydrophobicContact CG-CD2 3.76Å; F77-L118 HydrophobicContact CZ-CB 4.23Å; F77-L118 HydrophobicContact CZ-CD1 4.21Å; F77-L118 HydrophobicContact CZ-CD2 4.42Å; L97-L118 HydrophobicContact CD1-CD2 4.09Å; P98-L118 HydrophobicContact CG-CD2 3.96Å; P98-L118 HydrophobicContact CG-CG 4.25Å; R114-L118 HydrophobicContact CG-CD1 3.84Å; R114-L118 HydrophobicContact CG-CG 4.05Å; R114-L118 WeakPolarHBondContact O-CB 3.48Å; R114-L118 VanDerWaalsContact O-CG 3.23Å; R114-L118 WeakPolarHBondContact O-CG 3.23Å; R114-L118 PolarHBondContact O-N 2.77Å; R115-L118 PolarHBondContact O-N 2.95Å; L116-L118 VanDerWaalsContact C-N 3.33Å; L116-L118 PolarHBondContact O-N 3.44Å; L118-Y121 WeakPolarHBondContact O-CB 3.44Å; L118-Y121 PolarHBondContact O-N 3.13Å; L118-L122 WeakPolarHBondContact O-CG 3.44Å; L118-L122 PolarHBondContact O-N 2.97Å; L118-L122 VanDerWaalsContact O-N 3.07Å |
| 119 | Q | 96.9 | Very high | 96 | Very high | 49 Ų | 49 | 56.4 Ų | 56.4 | 23% | 0.229 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.5 | -47.6 | 174.1 | -171.5 | -179.8 | -80 | 0 | 0 | 110.7 | F35 I37 R115 L116 Y121 L122 A123 | F35-Q119 VanDerWaalsContact O-CG 3.27Å; F35-Q119 WeakPolarHBondContact O-CG 3.43Å; I37-Q119 HydrophobicContact CB-CB 4.5Å; I37-Q119 HydrophobicContact CD1-CB 4.12Å; I37-Q119 HydrophobicContact CG1-CB 4.06Å; I37-Q119 HydrophobicContact CG1-CG 4.39Å; R115-Q119 PolarHBondContact O-N 3.19Å; R115-Q119 VanDerWaalsContact O-N 3.11Å; L116-Q119 WeakPolarHBondContact O-CB 3.35Å; L116-Q119 PolarHBondContact O-N 2.69Å; L116-Q119 VanDerWaalsContact O-N 3.12Å; Q119-Y121 VanDerWaalsContact C-N 3.3Å; Q119-Y121 PolarHBondContact O-N 3.08Å; Q119-L122 PolarHBondContact O-N 3.14Å; Q119-A123 PolarHBondContact O-N 3.46Å; Q119-A123 VanDerWaalsContact O-N 3.11Å |
| 120 | D | 96.4 | Very high | 96 | Very high | 92 Ų | 92 | 51.9 Ų | 51.9 | 49% | 0.492 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.6 | -38.3 | 176.5 | -69.4 | -14.4 | 0 | 0 | 0 | 111.6 | L116 A123 K124 | L116-D120 PolarHBondContact O-N 2.87Å; D120-A123 WeakPolarHBondContact O-CB 3.32Å; D120-A123 PolarHBondContact O-N 3.19Å; D120-K124 WeakPolarHBondContact O-CG 3.41Å; D120-K124 PolarHBondContact O-N 3.36Å |
| 121 | Y | 97.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.5 | -48.2 | 174 | 173.4 | -102.5 | 0 | 0 | 0 | 112.2 | F77 H81 V95 L96 L97 A117 L118 Q119 A123 K124 L125 | F77-Y121 HydrophobicContact CD1-CD1 4.11Å; F77-Y121 HydrophobicContact CD1-CE1 4.25Å; H81-Y121 VanDerWaalsContact CB-OH 3.25Å; H81-Y121 WeakPolarHBondContact CB-OH 3.49Å; H81-Y121 PolarHBondContact ND1-OH 3.19Å; H81-Y121 VanDerWaalsContact ND1-OH 3.14Å; V95-Y121 HydrophobicContact CG1-CD2 4.04Å; V95-Y121 HydrophobicContact CG1-CE2 3.95Å; L96-Y121 WeakPolarHBondContact O-CD2 3.36Å; L97-Y121 HydrophobicContact CB-CD2 4.41Å; L97-Y121 HydrophobicContact CB-CE2 4.04Å; L97-Y121 HydrophobicContact CD1-CD1 3.91Å; L97-Y121 HydrophobicContact CD1-CD2 4.19Å; L97-Y121 HydrophobicContact CD1-CE1 3.71Å; L97-Y121 HydrophobicContact CD1-CE2 4Å; L97-Y121 HydrophobicContact CD1-CG 4.14Å; A117-Y121 VanDerWaalsContact O-CB 3.29Å; A117-Y121 WeakPolarHBondContact O-CB 3.18Å; A117-Y121 PolarHBondContact O-N 2.89Å; L118-Y121 WeakPolarHBondContact O-CB 3.44Å; L118-Y121 PolarHBondContact O-N 3.13Å; Q119-Y121 VanDerWaalsContact C-N 3.3Å; Q119-Y121 PolarHBondContact O-N 3.08Å; Y121-A123 VanDerWaalsContact C-N 3.29Å; Y121-A123 PolarHBondContact O-N 3.15Å; Y121-K124 PolarHBondContact O-N 3.27Å; Y121-L125 HydrophobicContact CD1-CD1 4.06Å; Y121-L125 HydrophobicContact CD1-CG 4.34Å; Y121-L125 HydrophobicContact CE1-CD1 3.36Å; Y121-L125 HydrophobicContact CE1-CG 3.92Å; Y121-L125 HydrophobicContact CE2-CD1 4.35Å; Y121-L125 HydrophobicContact CE2-CD2 4.03Å; Y121-L125 HydrophobicContact CE2-CG 4.11Å; Y121-L125 WeakPolarHBondContact O-CG 3.1Å; Y121-L125 PolarHBondContact O-N 3.41Å |
| 122 | L | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 176.2 | -69.3 | 177.1 | 0 | 0 | 0 | 112.3 | F35 I37 I55 F77 L118 Q119 L125 F126 F140 F141 | F35-L122 HydrophobicContact CB-CB 4.01Å; F35-L122 HydrophobicContact CB-CD1 4.03Å; F35-L122 HydrophobicContact CD2-CB 4.13Å; F35-L122 HydrophobicContact CG-CB 4.02Å; F35-L122 HydrophobicContact CG-CD1 4.36Å; I37-L122 HydrophobicContact CD1-CD1 4.39Å; I55-L122 HydrophobicContact CD1-CD1 4.33Å; I55-L122 HydrophobicContact CG2-CD1 3.95Å; F77-L122 HydrophobicContact CD1-CD2 4.36Å; F77-L122 HydrophobicContact CE1-CD1 3.96Å; F77-L122 HydrophobicContact CE1-CD2 3.84Å; F77-L122 HydrophobicContact CE1-CG 3.85Å; F77-L122 HydrophobicContact CZ-CD1 4.38Å; L118-L122 WeakPolarHBondContact O-CG 3.44Å; L118-L122 PolarHBondContact O-N 2.97Å; L118-L122 VanDerWaalsContact O-N 3.07Å; Q119-L122 PolarHBondContact O-N 3.14Å; L122-L125 PolarHBondContact O-N 3.25Å; L122-F126 WeakPolarHBondContact O-CB 3.38Å; L122-F126 PolarHBondContact O-N 3.04Å; L122-F140 HydrophobicContact CD2-CD1 4.41Å; L122-F140 HydrophobicContact CD2-CE1 3.93Å; L122-F141 HydrophobicContact CD1-CE1 4.45Å; L122-F141 HydrophobicContact CD2-CZ 4.18Å |
| 123 | A | 95.1 | Very high | 96 | Very high | 54 Ų | 54 | 51.3 Ų | 51.3 | 45% | 0.446 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q119 D120 Y121 F126 A127 | Q119-A123 PolarHBondContact O-N 3.46Å; Q119-A123 VanDerWaalsContact O-N 3.11Å; D120-A123 WeakPolarHBondContact O-CB 3.32Å; D120-A123 PolarHBondContact O-N 3.19Å; Y121-A123 VanDerWaalsContact C-N 3.29Å; Y121-A123 PolarHBondContact O-N 3.15Å; A123-F126 PolarHBondContact O-N 2.9Å; A123-A127 PolarHBondContact O-N 3.21Å |
| 124 | K | 96.3 | Very high | 96 | Very high | 103 Ų | 103 | 45.6 Ų | 45.6 | 45% | 0.448 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.7 | -48.2 | 174.7 | -71.4 | 176.3 | -177.3 | -175.3 | 0 | 111.9 | V95 D120 Y121 F126 A127 T128 | V95-K124 HydrophobicContact CG1-CB 3.86Å; V95-K124 HydrophobicContact CG2-CB 4.26Å; D120-K124 WeakPolarHBondContact O-CG 3.41Å; D120-K124 PolarHBondContact O-N 3.36Å; Y121-K124 PolarHBondContact O-N 3.27Å; K124-F126 VanDerWaalsContact C-N 3.26Å; K124-F126 PolarHBondContact O-N 2.89Å; K124-A127 WeakPolarHBondContact O-CB 3.32Å; K124-A127 PolarHBondContact O-N 3.23Å; K124-T128 PolarHBondContact O-N 3.28Å; K124-T128 VanDerWaalsContact O-N 3.13Å; K124-T128 PolarHBondContact O-OG1 3.01Å |
| 125 | L | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.5 | -42.1 | 175.8 | -71.9 | -171.4 | 0 | 0 | 0 | 112.2 | L80 L84 L92 V95 Y121 L122 A127 T128 V131 F137 | L80-L125 HydrophobicContact CD2-CD1 3.85Å; L84-L125 HydrophobicContact CD1-CD1 3.82Å; L84-L125 HydrophobicContact CD1-CD2 3.78Å; L84-L125 HydrophobicContact CD1-CG 4.44Å; L92-L125 HydrophobicContact CD2-CD2 3.79Å; V95-L125 HydrophobicContact CG1-CD2 3.77Å; V95-L125 HydrophobicContact CG1-CG 4.41Å; Y121-L125 HydrophobicContact CD1-CD1 4.06Å; Y121-L125 HydrophobicContact CD1-CG 4.34Å; Y121-L125 HydrophobicContact CE1-CD1 3.36Å; Y121-L125 HydrophobicContact CE1-CG 3.92Å; Y121-L125 HydrophobicContact CE2-CD1 4.35Å; Y121-L125 HydrophobicContact CE2-CD2 4.03Å; Y121-L125 HydrophobicContact CE2-CG 4.11Å; Y121-L125 WeakPolarHBondContact O-CG 3.1Å; Y121-L125 PolarHBondContact O-N 3.41Å; L122-L125 PolarHBondContact O-N 3.25Å; L125-A127 VanDerWaalsContact C-N 3.34Å; L125-T128 PolarHBondContact O-N 3.48Å; L125-V131 HydrophobicContact CB-CG1 4.05Å; L125-V131 HydrophobicContact CD2-CG1 4.17Å; L125-F137 HydrophobicContact CB-CD2 4.26Å; L125-F137 HydrophobicContact CB-CE2 3.85Å; L125-F137 HydrophobicContact CD1-CD2 4.4Å; L125-F137 HydrophobicContact CD1-CE2 4.34Å |
| 126 | F | 94.9 | Very high | 96 | Very high | 24 Ų | 24 | 47 Ų | 47 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.7 | -28.5 | 178.6 | -173.8 | -101.5 | 0 | 0 | 0 | 113.3 | L33 F35 L122 A123 K124 T128 R132 F137 W178 | L33-F126 HydrophobicContact CB-CE1 3.8Å; L33-F126 HydrophobicContact CB-CE2 3.92Å; L33-F126 HydrophobicContact CB-CZ 3.43Å; L33-F126 VanDerWaalsContact CB-CZ 3.43Å; L33-F126 HydrophobicContact CD2-CD2 3.96Å; L33-F126 HydrophobicContact CD2-CE2 3.44Å; L33-F126 VanDerWaalsContact CD2-CE2 3.44Å; L33-F126 HydrophobicContact CD2-CZ 3.87Å; L33-F126 HydrophobicContact CG-CE2 4.35Å; L33-F126 HydrophobicContact CG-CZ 4.33Å; F35-F126 HydrophobicContact CE2-CB 3.6Å; F35-F126 HydrophobicContact CE2-CD1 4.37Å; F35-F126 AromaticContact CE2-CD2 3.95Å; F35-F126 HydrophobicContact CE2-CD2 3.95Å; F35-F126 AromaticContact CE2-CG 3.72Å; F35-F126 HydrophobicContact CE2-CG 3.72Å; F35-F126 HydrophobicContact CZ-CB 4.32Å; F35-F126 AromaticContact CZ-CD2 3.97Å; F35-F126 HydrophobicContact CZ-CD2 3.97Å; F35-F126 HydrophobicContact CZ-CG 4.23Å; L122-F126 WeakPolarHBondContact O-CB 3.38Å; L122-F126 PolarHBondContact O-N 3.04Å; A123-F126 PolarHBondContact O-N 2.9Å; K124-F126 VanDerWaalsContact C-N 3.26Å; K124-F126 PolarHBondContact O-N 2.89Å; F126-T128 VanDerWaalsContact C-N 3.29Å; F126-R132 HydrophobicContact CD2-CB 4.29Å; F126-R132 HydrophobicContact CD2-CG 3.6Å; F126-R132 HydrophobicContact CE2-CG 3.49Å; F126-R132 VanDerWaalsContact CE2-CG 3.49Å; F126-R132 HydrophobicContact CG-CG 4.39Å; F126-R132 HydrophobicContact CZ-CG 4.22Å; F126-R132 WeakPolarHBondContact O-CD 3.45Å; F126-F137 HydrophobicContact CB-CZ 3.99Å; F126-F137 AromaticContact CD2-CE1 3.75Å; F126-F137 HydrophobicContact CD2-CE1 3.75Å; F126-F137 AromaticContact CD2-CZ 3.93Å; F126-F137 HydrophobicContact CD2-CZ 3.93Å; F126-F137 HydrophobicContact CG-CZ 4.45Å; F126-W178 AromaticContact CE2-CD2 3.97Å; F126-W178 HydrophobicContact CE2-CD2 3.97Å; F126-W178 HydrophobicContact CE2-CE3 4.08Å; F126-W178 HydrophobicContact CE2-CG 4.29Å; F126-W178 AromaticContact CZ-CD2 3.68Å; F126-W178 HydrophobicContact CZ-CD2 3.68Å; F126-W178 AromaticContact CZ-CE2 3.63Å; F126-W178 AromaticContact CZ-CE3 3.92Å; F126-W178 HydrophobicContact CZ-CE3 3.92Å; F126-W178 HydrophobicContact CZ-CG 4.26Å; F126-W178 HydrophobicContact CZ-CH2 4.08Å; F126-W178 AromaticContact CZ-CZ2 3.84Å; F126-W178 HydrophobicContact CZ-CZ2 3.84Å; F126-W178 HydrophobicContact CZ-CZ3 4.12Å |
| 127 | A | 93.9 | Very high | 96 | Very high | 77 Ų | 77 | 43.3 Ų | 43.3 | 64% | 0.636 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -67.8 | -31.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A123 K124 L125 R129 | A123-A127 PolarHBondContact O-N 3.21Å; K124-A127 WeakPolarHBondContact O-CB 3.32Å; K124-A127 PolarHBondContact O-N 3.23Å; L125-A127 VanDerWaalsContact C-N 3.34Å; A127-R129 PolarHBondContact O-N 3.01Å |
| 128 | T | 95.6 | Very high | 95.9 | Very high | 25 Ų | 25 | 41.8 Ų | 41.8 | 15% | 0.153 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -72 | 115.1 | 175.5 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | E91 L92 K124 L125 F126 C130 V131 R132 | E91-T128 HydrophobicContact CB-CG2 4.16Å; L92-T128 HydrophobicContact CD2-CG2 4.42Å; K124-T128 PolarHBondContact O-N 3.28Å; K124-T128 VanDerWaalsContact O-N 3.13Å; K124-T128 PolarHBondContact O-OG1 3.01Å; L125-T128 PolarHBondContact O-N 3.48Å; F126-T128 VanDerWaalsContact C-N 3.29Å; T128-C130 PolarHBondContact O-N 3.24Å; T128-V131 HydrophobicContact CG2-CB 4.27Å; T128-V131 HydrophobicContact CG2-CG2 3.96Å; T128-R132 WeakPolarHBondContact O-CB 3.22Å; T128-R132 PolarHBondContact O-N 3.38Å |
| 129 | R | 93.5 | Very high | 95.8 | Very high | 177 Ų | 177 | 45 Ų | 45 | 67% | 0.668 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.7 | -46.7 | -168.7 | 179.7 | -179.3 | 175 | 100.8 | 4.7 | 113.5 | A127 H133 | A127-R129 PolarHBondContact O-N 3.01Å; R129-H133 PolarHBondContact O-N 3.47Å; R129-H133 PolarHBondContact O-ND1 3.46Å |
| 130 | C | 94.9 | Very high | 95.8 | Very high | 37 Ų | 37 | 43.3 Ų | 43.3 | 25% | 0.25 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.5 | -51.7 | -178.7 | 47.6 | 0 | 0 | 0 | 0 | 110.5 | F88 T128 R132 H133 S134 | F88-C130 HydrophobicContact CD1-CB 3.8Å; F88-C130 HydrophobicContact CE1-CB 3.82Å; T128-C130 PolarHBondContact O-N 3.24Å; C130-R132 PolarHBondContact O-N 2.9Å; C130-H133 PolarHBondContact O-N 3.48Å; C130-H133 VanDerWaalsContact O-N 3.13Å; C130-S134 PolarHBondContact O-N 2.81Å |
| 131 | V | 96.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.9 | -48.8 | 175.9 | 174.5 | 0 | 0 | 0 | 0 | 112.3 | L84 F88 L92 L125 T128 H133 S134 F137 | L84-V131 HydrophobicContact CD1-CG1 3.79Å; L84-V131 HydrophobicContact CD2-CG1 3.89Å; L84-V131 HydrophobicContact CD2-CG2 4.23Å; F88-V131 HydrophobicContact CB-CG2 4.29Å; F88-V131 HydrophobicContact CD2-CG2 3.87Å; F88-V131 HydrophobicContact CG-CG2 4.2Å; L92-V131 HydrophobicContact CD1-CG2 4.02Å; L92-V131 HydrophobicContact CD2-CG2 3.96Å; L92-V131 HydrophobicContact CG-CG2 4.17Å; L125-V131 HydrophobicContact CB-CG1 4.05Å; L125-V131 HydrophobicContact CD2-CG1 4.17Å; T128-V131 HydrophobicContact CG2-CB 4.27Å; T128-V131 HydrophobicContact CG2-CG2 3.96Å; V131-H133 PolarHBondContact O-N 3.2Å; V131-H133 VanDerWaalsContact O-N 3.13Å; V131-S134 VanDerWaalsContact O-CB 3.29Å; V131-S134 WeakPolarHBondContact O-CB 3.37Å; V131-S134 PolarHBondContact O-N 2.96Å; V131-S134 PolarHBondContact O-OG 2.82Å; V131-F137 HydrophobicContact CG1-CB 4.36Å; V131-F137 HydrophobicContact CG1-CD2 4.02Å; V131-F137 HydrophobicContact CG1-CG 4.47Å; V131-F137 WeakPolarHBondContact O-CB 3.37Å |
| 132 | R | 94.9 | Very high | 95.8 | Very high | 48 Ų | 48 | 39 Ų | 39 | 18% | 0.181 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.1 | -33.8 | 179.4 | 174.8 | 179 | 61.3 | -175.3 | -9.2 | 113.7 | F126 T128 C130 W178 Q179 | F126-R132 HydrophobicContact CD2-CB 4.29Å; F126-R132 HydrophobicContact CD2-CG 3.6Å; F126-R132 HydrophobicContact CE2-CG 3.49Å; F126-R132 VanDerWaalsContact CE2-CG 3.49Å; F126-R132 HydrophobicContact CG-CG 4.39Å; F126-R132 HydrophobicContact CZ-CG 4.22Å; F126-R132 WeakPolarHBondContact O-CD 3.45Å; T128-R132 WeakPolarHBondContact O-CB 3.22Å; T128-R132 PolarHBondContact O-N 3.38Å; C130-R132 PolarHBondContact O-N 2.9Å; R132-W178 VanDerWaalsContact CD-CD1 3.4Å; R132-W178 HydrophobicContact CG-CB 3.82Å; R132-W178 HydrophobicContact CG-CG 3.99Å; R132-Q179 PolarHBondContact O-NE2 2.93Å |
| 133 | H | 95 | Very high | 95.7 | Very high | 79 Ų | 79 | 40.8 Ų | 40.8 | 37% | 0.366 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -95.4 | -4.6 | 179.6 | -63.4 | 83.7 | 0 | 0 | 0 | 113.2 | R129 C130 V131 W178 | R129-H133 PolarHBondContact O-N 3.47Å; R129-H133 PolarHBondContact O-ND1 3.46Å; C130-H133 PolarHBondContact O-N 3.48Å; C130-H133 VanDerWaalsContact O-N 3.13Å; V131-H133 PolarHBondContact O-N 3.2Å; V131-H133 VanDerWaalsContact O-N 3.13Å; H133-W178 WeakPolarHBondContact CA-O 3.42Å; H133-W178 PolarHBondContact CD2-O 3.29Å |
| 134 | S | 95.9 | Very high | 95.7 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -67.9 | 153.6 | 175.9 | 76.1 | 0 | 0 | 0 | 0 | 111.1 | C130 V131 H136 F137 Q179 | C130-S134 PolarHBondContact O-N 2.81Å; V131-S134 VanDerWaalsContact O-CB 3.29Å; V131-S134 WeakPolarHBondContact O-CB 3.37Å; V131-S134 PolarHBondContact O-N 2.96Å; V131-S134 PolarHBondContact O-OG 2.82Å; S134-H136 VanDerWaalsContact C-N 3.34Å; S134-F137 PolarHBondContact OG-N 2.92Å; S134-Q179 PolarHBondContact O-NE2 3.4Å |
| 135 | A | 95.2 | Very high | 95.8 | Very high | 50 Ų | 50 | 39 Ų | 39 | 41% | 0.413 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.1 | -36.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F137 S138 E139 | A135-F137 PolarHBondContact O-N 3.26Å; A135-S138 PolarHBondContact O-N 3.31Å; A135-S138 VanDerWaalsContact O-N 3.12Å; A135-S138 PolarHBondContact O-OG 3.2Å; A135-E139 VanDerWaalsContact O-CB 3.31Å; A135-E139 WeakPolarHBondContact O-CB 3.34Å; A135-E139 VanDerWaalsContact O-CG 3.25Å; A135-E139 WeakPolarHBondContact O-CG 3.45Å; A135-E139 PolarHBondContact O-N 3.17Å |
| 136 | H | 96.8 | Very high | 95.7 | Very high | 47 Ų | 47 | 40.3 Ų | 40.3 | 22% | 0.218 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -53.7 | -39.5 | 178.6 | -63.4 | -33.5 | 0 | 0 | 0 | 112.9 | L80 L84 E87 S134 E139 F140 | L80-H136 HydrophobicContact CD1-CB 4.2Å; L80-H136 WeakPolarHBondContact CD1-O 3.4Å; L84-H136 HydrophobicContact CD2-CB 3.75Å; E87-H136 IonicContact OE2-CD2 3.55Å; E87-H136 PolarHBondContact OE2-CD2 3.01Å; E87-H136 IonicContact OE2-NE2 3.86Å; S134-H136 VanDerWaalsContact C-N 3.34Å; H136-E139 IonicContact ND1-OE2 3.74Å; H136-F140 PolarHBondContact O-N 2.74Å; H136-F140 VanDerWaalsContact O-N 3.13Å |
| 137 | F | 96.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.2 | -46.1 | 178.2 | -171.6 | -101.1 | 0 | 0 | 0 | 112.8 | F35 L125 F126 V131 S134 A135 F141 L175 | F35-F137 HydrophobicContact CE1-CE1 4.46Å; F35-F137 HydrophobicContact CE1-CZ 4.14Å; F35-F137 AromaticContact CE2-CZ 3.98Å; F35-F137 HydrophobicContact CE2-CZ 3.98Å; F35-F137 AromaticContact CZ-CE1 3.8Å; F35-F137 HydrophobicContact CZ-CE1 3.8Å; F35-F137 AromaticContact CZ-CZ 3.45Å; F35-F137 HydrophobicContact CZ-CZ 3.45Å; F35-F137 VanDerWaalsContact CZ-CZ 3.45Å; L125-F137 HydrophobicContact CB-CD2 4.26Å; L125-F137 HydrophobicContact CB-CE2 3.85Å; L125-F137 HydrophobicContact CD1-CD2 4.4Å; L125-F137 HydrophobicContact CD1-CE2 4.34Å; F126-F137 HydrophobicContact CB-CZ 3.99Å; F126-F137 AromaticContact CD2-CE1 3.75Å; F126-F137 HydrophobicContact CD2-CE1 3.75Å; F126-F137 AromaticContact CD2-CZ 3.93Å; F126-F137 HydrophobicContact CD2-CZ 3.93Å; F126-F137 HydrophobicContact CG-CZ 4.45Å; V131-F137 HydrophobicContact CG1-CB 4.36Å; V131-F137 HydrophobicContact CG1-CD2 4.02Å; V131-F137 HydrophobicContact CG1-CG 4.47Å; V131-F137 WeakPolarHBondContact O-CB 3.37Å; S134-F137 PolarHBondContact OG-N 2.92Å; A135-F137 PolarHBondContact O-N 3.26Å; F137-F141 HydrophobicContact CD1-CE2 4.09Å; F137-F141 HydrophobicContact CD2-CE2 4.42Å; F137-F141 AromaticContact CE1-CE2 3.68Å; F137-F141 HydrophobicContact CE1-CE2 3.68Å; F137-F141 HydrophobicContact CE1-CZ 4.38Å; F137-F141 HydrophobicContact CE2-CE2 4.05Å; F137-F141 HydrophobicContact CE2-CZ 4.38Å; F137-F141 HydrophobicContact CG-CE2 4.44Å; F137-F141 AromaticContact CZ-CE2 3.67Å; F137-F141 HydrophobicContact CZ-CE2 3.67Å; F137-F141 AromaticContact CZ-CZ 3.98Å; F137-F141 HydrophobicContact CZ-CZ 3.98Å; F137-F141 WeakPolarHBondContact O-CD2 3.36Å; F137-F141 WeakPolarHBondContact O-CE2 3.32Å; F137-L175 HydrophobicContact CE1-CD2 4.43Å |
| 138 | S | 95.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -73.9 | -35.1 | -179.9 | 55.9 | 0 | 0 | 0 | 0 | 112.8 | A135 F140 F141 T142 Q179 | A135-S138 PolarHBondContact O-N 3.31Å; A135-S138 VanDerWaalsContact O-N 3.12Å; A135-S138 PolarHBondContact O-OG 3.2Å; S138-F140 VanDerWaalsContact C-N 3.32Å; S138-F140 PolarHBondContact O-N 2.78Å; S138-F141 PolarHBondContact O-N 2.77Å; S138-T142 PolarHBondContact O-OG1 2.97Å; S138-Q179 PolarHBondContact OG-OE1 2.72Å; S138-Q179 VanDerWaalsContact OG-OE1 3.05Å |
| 139 | E | 96.2 | Very high | 96 | Very high | 68 Ų | 68 | 42.2 Ų | 42.2 | 32% | 0.318 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.3 | -38.9 | 173.3 | -75.9 | 169.5 | -166.2 | 0 | 0 | 111.8 | A135 H136 F141 T142 E143 | A135-E139 VanDerWaalsContact O-CB 3.31Å; A135-E139 WeakPolarHBondContact O-CB 3.34Å; A135-E139 VanDerWaalsContact O-CG 3.25Å; A135-E139 WeakPolarHBondContact O-CG 3.45Å; A135-E139 PolarHBondContact O-N 3.17Å; H136-E139 IonicContact ND1-OE2 3.74Å; E139-F141 PolarHBondContact O-N 3.12Å; E139-F141 VanDerWaalsContact O-N 3.08Å; E139-T142 PolarHBondContact O-N 2.97Å; E139-E143 WeakPolarHBondContact O-CB 2.97Å; E139-E143 PolarHBondContact O-N 3.32Å |
| 140 | F | 97.8 | Very high | 96.1 | Very high | 13 Ų | 13 | 34.5 Ų | 34.5 | 6% | 0.057 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -51.7 | -38.8 | 177 | 173.1 | -104 | 0 | 0 | 0 | 112.7 | I55 R72 D76 F77 L80 L122 H136 S138 | I55-F140 HydrophobicContact CD1-CE1 3.7Å; I55-F140 HydrophobicContact CD1-CZ 3.84Å; R72-F140 HydrophobicContact CB-CE2 4.41Å; R72-F140 HydrophobicContact CB-CZ 4.08Å; R72-F140 HydrophobicContact CG-CE1 4.31Å; R72-F140 HydrophobicContact CG-CE2 4.05Å; R72-F140 HydrophobicContact CG-CZ 3.75Å; R72-F140 VanDerWaalsContact CZ-O 3.3Å; R72-F140 PolarHBondContact NE-O 3.04Å; R72-F140 PolarHBondContact NH2-O 3.37Å; D76-F140 HydrophobicContact CB-CE2 4.25Å; F77-F140 HydrophobicContact CD1-CE1 4.48Å; F77-F140 HydrophobicContact CD1-CE2 4.22Å; F77-F140 AromaticContact CD1-CZ 3.7Å; F77-F140 HydrophobicContact CD1-CZ 3.7Å; F77-F140 HydrophobicContact CD2-CE2 4.3Å; F77-F140 AromaticContact CD2-CZ 3.99Å; F77-F140 HydrophobicContact CD2-CZ 3.99Å; F77-F140 HydrophobicContact CE1-CE1 4.12Å; F77-F140 AromaticContact CE1-CZ 3.59Å; F77-F140 HydrophobicContact CE1-CZ 3.59Å; F77-F140 AromaticContact CE2-CZ 3.87Å; F77-F140 HydrophobicContact CE2-CZ 3.87Å; F77-F140 HydrophobicContact CG-CE2 4.12Å; F77-F140 AromaticContact CG-CZ 3.92Å; F77-F140 HydrophobicContact CG-CZ 3.92Å; F77-F140 HydrophobicContact CZ-CE1 4.34Å; F77-F140 AromaticContact CZ-CZ 3.69Å; F77-F140 HydrophobicContact CZ-CZ 3.69Å; L80-F140 HydrophobicContact CB-CD2 3.92Å; L80-F140 HydrophobicContact CB-CE2 4.47Å; L80-F140 HydrophobicContact CD1-CB 4.13Å; L80-F140 HydrophobicContact CD2-CB 3.89Å; L80-F140 HydrophobicContact CD2-CD1 4.17Å; L80-F140 HydrophobicContact CD2-CD2 3.74Å; L80-F140 HydrophobicContact CD2-CE2 4.29Å; L80-F140 HydrophobicContact CD2-CG 3.66Å; L80-F140 HydrophobicContact CG-CB 4.46Å; L80-F140 HydrophobicContact CG-CD2 4.34Å; L122-F140 HydrophobicContact CD2-CD1 4.41Å; L122-F140 HydrophobicContact CD2-CE1 3.93Å; H136-F140 PolarHBondContact O-N 2.74Å; H136-F140 VanDerWaalsContact O-N 3.13Å; S138-F140 VanDerWaalsContact C-N 3.32Å; S138-F140 PolarHBondContact O-N 2.78Å |
| 141 | F | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -82.7 | -13.5 | -178.6 | -59.9 | -84.5 | 0 | 0 | 0 | 114.5 | F35 I55 V57 I70 R72 L122 F137 S138 E139 I171 L175 | F35-F141 AromaticContact CD1-CE1 3.6Å; F35-F141 HydrophobicContact CD1-CE1 3.6Å; F35-F141 AromaticContact CD1-CZ 3.55Å; F35-F141 HydrophobicContact CD1-CZ 3.55Å; F35-F141 AromaticContact CE1-CE1 3.6Å; F35-F141 HydrophobicContact CE1-CE1 3.6Å; F35-F141 AromaticContact CE1-CE2 3.87Å; F35-F141 HydrophobicContact CE1-CE2 3.87Å; F35-F141 AromaticContact CE1-CZ 3.18Å; F35-F141 HydrophobicContact CE1-CZ 3.18Å; F35-F141 HydrophobicContact CZ-CE2 4.44Å; F35-F141 HydrophobicContact CZ-CZ 4Å; I55-F141 HydrophobicContact CG2-CE1 4.05Å; V57-F141 HydrophobicContact CG2-CD1 3.74Å; V57-F141 HydrophobicContact CG2-CE1 3.98Å; I70-F141 VanDerWaalsContact CD1-CA 3.45Å; I70-F141 HydrophobicContact CD1-CB 3.87Å; I70-F141 HydrophobicContact CD1-CD1 3.71Å; I70-F141 HydrophobicContact CD1-CG 4.23Å; I70-F141 VanDerWaalsContact CD1-O 3.32Å; I70-F141 WeakPolarHBondContact CD1-O 3.49Å; R72-F141 VanDerWaalsContact NH2-C 3.31Å; R72-F141 PolarHBondContact NH2-O 3.19Å; L122-F141 HydrophobicContact CD1-CE1 4.45Å; L122-F141 HydrophobicContact CD2-CZ 4.18Å; F137-F141 HydrophobicContact CD1-CE2 4.09Å; F137-F141 HydrophobicContact CD2-CE2 4.42Å; F137-F141 AromaticContact CE1-CE2 3.68Å; F137-F141 HydrophobicContact CE1-CE2 3.68Å; F137-F141 HydrophobicContact CE1-CZ 4.38Å; F137-F141 HydrophobicContact CE2-CE2 4.05Å; F137-F141 HydrophobicContact CE2-CZ 4.38Å; F137-F141 HydrophobicContact CG-CE2 4.44Å; F137-F141 AromaticContact CZ-CE2 3.67Å; F137-F141 HydrophobicContact CZ-CE2 3.67Å; F137-F141 AromaticContact CZ-CZ 3.98Å; F137-F141 HydrophobicContact CZ-CZ 3.98Å; F137-F141 WeakPolarHBondContact O-CD2 3.36Å; F137-F141 WeakPolarHBondContact O-CE2 3.32Å; S138-F141 PolarHBondContact O-N 2.77Å; E139-F141 PolarHBondContact O-N 3.12Å; E139-F141 VanDerWaalsContact O-N 3.08Å; F141-I171 HydrophobicContact CB-CG2 3.62Å; F141-I171 HydrophobicContact CG-CG2 4.42Å; F141-I171 WeakPolarHBondContact O-CD1 3.37Å; F141-L175 HydrophobicContact CD2-CD1 4.17Å |
| 142 | T | 96.5 | Very high | 96.2 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -133.4 | -19.1 | -167.5 | 55 | 0 | 0 | 0 | 0 | 115.2 | S138 E139 H144 E145 Q146 V168 I171 Q172 | S138-T142 PolarHBondContact O-OG1 2.97Å; E139-T142 PolarHBondContact O-N 2.97Å; T142-H144 VanDerWaalsContact C-N 3.32Å; T142-H144 PolarHBondContact O-N 3.25Å; T142-E145 PolarHBondContact O-N 2.88Å; T142-Q146 WeakPolarHBondContact O-CB 3.23Å; T142-Q146 VanDerWaalsContact O-CG 3.23Å; T142-Q146 WeakPolarHBondContact O-CG 3.48Å; T142-Q146 PolarHBondContact O-N 3.07Å; T142-V168 HydrophobicContact CG2-CG1 4.11Å; T142-I171 HydrophobicContact CG2-CB 3.96Å; T142-I171 HydrophobicContact CG2-CD1 4.34Å; T142-I171 HydrophobicContact CG2-CG2 3.69Å; T142-Q172 HydrophobicContact CG2-CG 4.19Å |
| 143 | E | 95.4 | Very high | 96.3 | Very high | 39 Ų | 39 | 36.4 Ų | 36.4 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58 | -40.3 | -172.8 | -179.6 | -173.1 | -158.6 | 0 | 0 | 112.4 | R79 E139 K147 | R79-E143 IonicContact NH2-OE2 3.38Å; E139-E143 WeakPolarHBondContact O-CB 2.97Å; E139-E143 PolarHBondContact O-N 3.32Å; E143-K147 VanDerWaalsContact CD-NZ 3.35Å; E143-K147 HydrophobicContact CG-CD 4.17Å; E143-K147 WeakPolarHBondContact O-CB 3.46Å; E143-K147 VanDerWaalsContact O-CG 3.27Å; E143-K147 WeakPolarHBondContact O-CG 3.22Å; E143-K147 PolarHBondContact O-N 3.3Å; E143-K147 WeakPolarHBondContact OE1-CE 3.44Å; E143-K147 IonicContact OE1-NZ 3.41Å; E143-K147 PolarHBondContact OE1-NZ 2.92Å |
| 144 | H | 95.9 | Very high | 96.3 | Very high | 109 Ų | 109 | 40.2 Ų | 40.2 | 51% | 0.505 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68.3 | -49.8 | -178.9 | -176.4 | 64.9 | 0 | 0 | 0 | 111.5 | T142 Q146 K147 Q148 | T142-H144 VanDerWaalsContact C-N 3.32Å; T142-H144 PolarHBondContact O-N 3.25Å; H144-Q146 VanDerWaalsContact C-N 3.33Å; H144-Q146 PolarHBondContact O-N 3.12Å; H144-K147 PolarHBondContact O-N 3.41Å; H144-Q148 WeakPolarHBondContact O-CB 2.91Å; H144-Q148 PolarHBondContact O-N 3.44Å |
| 145 | E | 97.2 | Very high | 96.3 | Very high | 11 Ų | 11 | 43 Ų | 43 | 5% | 0.051 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.6 | -38.6 | -180 | -63.9 | 71.5 | -157.1 | 0 | 0 | 110.5 | I70 R72 T142 Q148 A149 T167 V168 | I70-E145 HydrophobicContact CG2-CG 4.48Å; R72-E145 IonicContact CZ-OE1 3.52Å; R72-E145 IonicContact CZ-OE2 2.74Å; R72-E145 IonicContact NH1-OE1 3.47Å; R72-E145 PolarHBondContact NH1-OE1 3.12Å; R72-E145 IonicContact NH1-OE2 3.83Å; R72-E145 PolarHBondContact NH1-OE2 3.28Å; R72-E145 IonicContact NH2-OE1 3.44Å; R72-E145 PolarHBondContact NH2-OE1 2.99Å; R72-E145 IonicContact NH2-OE2 2.78Å; R72-E145 PolarHBondContact NH2-OE2 3.3Å; T142-E145 PolarHBondContact O-N 2.88Å; E145-Q148 PolarHBondContact O-N 3.42Å; E145-A149 VanDerWaalsContact O-CB 3.23Å; E145-A149 WeakPolarHBondContact O-CB 3.37Å; E145-A149 PolarHBondContact O-N 3.43Å; E145-T167 HydrophobicContact CG-CG2 4.32Å; E145-V168 HydrophobicContact CB-CG2 3.55Å |
| 146 | Q | 95.9 | Very high | 96.3 | Very high | 26 Ų | 26 | 42.5 Ų | 42.5 | 12% | 0.121 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.4 | -48.4 | 172.9 | -75.8 | 172.8 | -15.5 | 0 | 0 | 112.1 | T142 H144 Q148 A149 H150 V168 Q172 F273 | T142-Q146 WeakPolarHBondContact O-CB 3.23Å; T142-Q146 VanDerWaalsContact O-CG 3.23Å; T142-Q146 WeakPolarHBondContact O-CG 3.48Å; T142-Q146 PolarHBondContact O-N 3.07Å; H144-Q146 VanDerWaalsContact C-N 3.33Å; H144-Q146 PolarHBondContact O-N 3.12Å; Q146-Q148 VanDerWaalsContact C-N 3.32Å; Q146-Q148 PolarHBondContact O-N 3.19Å; Q146-A149 PolarHBondContact O-N 2.77Å; Q146-H150 WeakPolarHBondContact O-CB 3.37Å; Q146-H150 PolarHBondContact O-N 3.28Å; Q146-V168 HydrophobicContact CG-CB 4.38Å; Q146-V168 HydrophobicContact CG-CG1 3.73Å; Q146-V168 HydrophobicContact CG-CG2 3.72Å; Q146-Q172 VanDerWaalsContact NE2-NE2 3.19Å; Q146-F273 HydrophobicContact CB-CE1 4.47Å; Q146-F273 HydrophobicContact CB-CZ 4.44Å; Q146-F273 HydrophobicContact CG-CZ 4.3Å; Q146-F273 WeakPolarHBondContact O-CE1 3.46Å |
| 147 | K | 96 | Very high | 96.4 | Very high | 89 Ų | 89 | 45.5 Ų | 45.5 | 39% | 0.387 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62 | -41.2 | 177.5 | -75.2 | 174.9 | -173.5 | 174.8 | 0 | 111.5 | E143 H144 H150 V151 I274 | E143-K147 VanDerWaalsContact CD-NZ 3.35Å; E143-K147 HydrophobicContact CG-CD 4.17Å; E143-K147 WeakPolarHBondContact O-CB 3.46Å; E143-K147 VanDerWaalsContact O-CG 3.27Å; E143-K147 WeakPolarHBondContact O-CG 3.22Å; E143-K147 PolarHBondContact O-N 3.3Å; E143-K147 WeakPolarHBondContact OE1-CE 3.44Å; E143-K147 IonicContact OE1-NZ 3.41Å; E143-K147 PolarHBondContact OE1-NZ 2.92Å; H144-K147 PolarHBondContact O-N 3.41Å; K147-H150 WeakPolarHBondContact O-CB 3.39Å; K147-H150 PolarHBondContact O-N 3.45Å; K147-V151 WeakPolarHBondContact O-CG2 3.28Å; K147-V151 PolarHBondContact O-N 3.15Å; K147-V151 VanDerWaalsContact O-N 3.09Å; K147-I274 HydrophobicContact CG-CG2 4.47Å |
| 148 | Q | 96.8 | Very high | 96.5 | Very high | 77 Ų | 77 | 46.9 Ų | 46.9 | 36% | 0.36 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65 | -47.6 | 176.3 | -174 | 174.6 | -8 | 0 | 0 | 111.4 | H144 E145 Q146 H150 V151 L152 Q164 | H144-Q148 WeakPolarHBondContact O-CB 2.91Å; H144-Q148 PolarHBondContact O-N 3.44Å; E145-Q148 PolarHBondContact O-N 3.42Å; Q146-Q148 VanDerWaalsContact C-N 3.32Å; Q146-Q148 PolarHBondContact O-N 3.19Å; Q148-H150 VanDerWaalsContact C-N 3.25Å; Q148-H150 PolarHBondContact O-N 3.34Å; Q148-V151 PolarHBondContact O-N 3.43Å; Q148-L152 HydrophobicContact CG-CD1 3.93Å; Q148-L152 HydrophobicContact CG-CG 4.44Å; Q148-L152 VanDerWaalsContact O-CG 3.27Å; Q148-L152 WeakPolarHBondContact O-CG 3.38Å; Q148-L152 PolarHBondContact O-N 3.17Å; Q148-Q164 HydrophobicContact CB-CG 4.48Å; Q148-Q164 HydrophobicContact CG-CG 4.18Å |
| 149 | A | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.1 | -42.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E145 Q146 L152 L153 Q164 L165 F273 | E145-A149 VanDerWaalsContact O-CB 3.23Å; E145-A149 WeakPolarHBondContact O-CB 3.37Å; E145-A149 PolarHBondContact O-N 3.43Å; Q146-A149 PolarHBondContact O-N 2.77Å; A149-L152 PolarHBondContact O-N 3.21Å; A149-L153 VanDerWaalsContact O-CB 3.25Å; A149-L153 WeakPolarHBondContact O-CB 3.41Å; A149-L153 PolarHBondContact O-N 3.15Å; A149-Q164 HydrophobicContact CB-CB 3.77Å; A149-L165 HydrophobicContact CB-CD2 3.79Å; A149-L165 HydrophobicContact CB-CG 3.81Å; A149-F273 HydrophobicContact CB-CE1 3.96Å; A149-F273 HydrophobicContact CB-CZ 4.39Å |
| 150 | H | 95.3 | Very high | 96.7 | Very high | 16 Ų | 16 | 51.7 Ų | 51.7 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 178 | -169.4 | 78.2 | 0 | 0 | 0 | 112.4 | Q146 K147 Q148 L153 R154 I270 F273 I274 | Q146-H150 WeakPolarHBondContact O-CB 3.37Å; Q146-H150 PolarHBondContact O-N 3.28Å; K147-H150 WeakPolarHBondContact O-CB 3.39Å; K147-H150 PolarHBondContact O-N 3.45Å; Q148-H150 VanDerWaalsContact C-N 3.25Å; Q148-H150 PolarHBondContact O-N 3.34Å; H150-L153 PolarHBondContact O-N 3.26Å; H150-R154 WeakPolarHBondContact NE2-CD 3.48Å; H150-R154 WeakPolarHBondContact O-CG 3.37Å; H150-R154 PolarHBondContact O-N 3.49Å; H150-I270 PolarHBondContact CE1-O 3.33Å; H150-F273 HydrophobicContact CB-CD1 3.84Å; H150-F273 HydrophobicContact CB-CE1 4.24Å; H150-F273 AromaticContact ND1-CD1 3.67Å; H150-I274 HydrophobicContact CB-CD1 4.03Å; H150-I274 HydrophobicContact CB-CG1 4.04Å; H150-I274 WeakPolarHBondContact CD2-CD1 3.41Å |
| 151 | V | 96.8 | Very high | 96.7 | Very high | 97 Ų | 97 | 51.1 Ų | 51.1 | 59% | 0.588 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -62 | -45.8 | 177.2 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | K147 Q148 R154 A155 | K147-V151 WeakPolarHBondContact O-CG2 3.28Å; K147-V151 PolarHBondContact O-N 3.15Å; K147-V151 VanDerWaalsContact O-N 3.09Å; Q148-V151 PolarHBondContact O-N 3.43Å; V151-R154 PolarHBondContact O-N 2.86Å; V151-A155 WeakPolarHBondContact O-CB 3.39Å; V151-A155 PolarHBondContact O-N 3.28Å |
| 152 | L | 97.6 | Very high | 96.7 | Very high | 24 Ų | 24 | 51.6 Ų | 51.6 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 178.9 | -67.7 | 167.9 | 0 | 0 | 0 | 111.9 | Q148 A149 R154 A155 G156 Q157 A160 A161 Q164 | Q148-L152 HydrophobicContact CG-CD1 3.93Å; Q148-L152 HydrophobicContact CG-CG 4.44Å; Q148-L152 VanDerWaalsContact O-CG 3.27Å; Q148-L152 WeakPolarHBondContact O-CG 3.38Å; Q148-L152 PolarHBondContact O-N 3.17Å; A149-L152 PolarHBondContact O-N 3.21Å; L152-R154 PolarHBondContact O-N 3.12Å; L152-A155 CarbonylContact O-C 3.58Å; L152-A155 PolarHBondContact O-N 3.48Å; L152-A155 VanDerWaalsContact O-N 3.16Å; L152-G156 PolarHBondContact O-N 3.04Å; L152-G156 VanDerWaalsContact O-N 3.14Å; L152-Q157 HydrophobicContact CB-CB 4.31Å; L152-Q157 HydrophobicContact CD2-CB 4.09Å; L152-Q157 PolarHBondContact O-N 3.16Å; L152-A160 HydrophobicContact CD1-CB 3.93Å; L152-A160 HydrophobicContact CD2-CB 4.09Å; L152-A161 HydrophobicContact CB-CB 3.82Å; L152-Q164 HydrophobicContact CD1-CG 4Å |
| 153 | L | 95.6 | Very high | 96.7 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 177.1 | -171.3 | 156.8 | 0 | 0 | 0 | 111.1 | A149 H150 A155 G156 A161 A190 V269 I270 | A149-L153 VanDerWaalsContact O-CB 3.25Å; A149-L153 WeakPolarHBondContact O-CB 3.41Å; A149-L153 PolarHBondContact O-N 3.15Å; H150-L153 PolarHBondContact O-N 3.26Å; L153-A155 VanDerWaalsContact C-N 3.27Å; L153-A155 PolarHBondContact O-N 2.99Å; L153-G156 PolarHBondContact O-N 3.4Å; L153-G156 VanDerWaalsContact O-N 3.07Å; L153-A161 HydrophobicContact CB-CB 4.35Å; L153-A190 HydrophobicContact CD1-CB 4.27Å; L153-V269 HydrophobicContact CD1-CG1 3.67Å; L153-I270 HydrophobicContact CD2-CD1 4.2Å; L153-I270 HydrophobicContact CD2-CG1 3.69Å |
| 154 | R | 94.8 | Very high | 96.8 | Very high | 160 Ų | 160 | 57.2 Ų | 57.2 | 60% | 0.604 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.6 | -31.9 | 175.4 | -70.9 | 178 | 70.1 | 105.4 | 5.4 | 112.9 | H150 V151 L152 G156 | H150-R154 WeakPolarHBondContact NE2-CD 3.48Å; H150-R154 WeakPolarHBondContact O-CG 3.37Å; H150-R154 PolarHBondContact O-N 3.49Å; V151-R154 PolarHBondContact O-N 2.86Å; L152-R154 PolarHBondContact O-N 3.12Å; R154-G156 PolarHBondContact O-N 2.65Å |
| 155 | A | 96.3 | Very high | 96.9 | Very high | 67 Ų | 67 | 52 Ų | 52 | 55% | 0.554 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -0.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | V151 L152 L153 Q157 | V151-A155 WeakPolarHBondContact O-CB 3.39Å; V151-A155 PolarHBondContact O-N 3.28Å; L152-A155 CarbonylContact O-C 3.58Å; L152-A155 PolarHBondContact O-N 3.48Å; L152-A155 VanDerWaalsContact O-N 3.16Å; L153-A155 VanDerWaalsContact C-N 3.27Å; L153-A155 PolarHBondContact O-N 2.99Å; A155-Q157 HydrophobicContact CB-CG 4.31Å; A155-Q157 PolarHBondContact O-N 2.98Å |
| 156 | G | 96.4 | Very high | 96.9 | Very high | 39 Ų | 39 | 55.8 Ų | 55.8 | 40% | 0.402 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 11.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L152 L153 R154 F158 | L152-G156 PolarHBondContact O-N 3.04Å; L152-G156 VanDerWaalsContact O-N 3.14Å; L153-G156 PolarHBondContact O-N 3.4Å; L153-G156 VanDerWaalsContact O-N 3.07Å; R154-G156 PolarHBondContact O-N 2.65Å; G156-F158 VanDerWaalsContact O-CD2 3.25Å; G156-F158 WeakPolarHBondContact O-CD2 3.27Å; G156-F158 WeakPolarHBondContact O-CE2 3.47Å; G156-F158 PolarHBondContact O-N 3Å |
| 157 | Q | 97.9 | Very high | 96.9 | Very high | 109 Ų | 109 | 56.3 Ų | 56.3 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | trans | -85.3 | 64.3 | 178.5 | -63.8 | -171.2 | -7.4 | 0 | 0 | 110.6 | L152 A155 K159 A160 A161 | L152-Q157 HydrophobicContact CB-CB 4.31Å; L152-Q157 HydrophobicContact CD2-CB 4.09Å; L152-Q157 PolarHBondContact O-N 3.16Å; A155-Q157 HydrophobicContact CB-CG 4.31Å; A155-Q157 PolarHBondContact O-N 2.98Å; Q157-K159 PolarHBondContact O-N 3.36Å; Q157-A160 HydrophobicContact CB-CB 4.43Å; Q157-A160 PolarHBondContact O-N 3.36Å; Q157-A161 WeakPolarHBondContact O-CB 3.47Å; Q157-A161 PolarHBondContact O-N 3.41Å | ||
| 158 | F | 97.8 | Very high | 96.9 | Very high | 30 Ų | 30 | 52 Ų | 52 | 13% | 0.132 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.8 | -36.3 | -170.2 | -55.7 | -63.4 | 0 | 0 | 0 | 114.1 | G156 A161 L162 C194 D197 L198 | G156-F158 VanDerWaalsContact O-CD2 3.25Å; G156-F158 WeakPolarHBondContact O-CD2 3.27Å; G156-F158 WeakPolarHBondContact O-CE2 3.47Å; G156-F158 PolarHBondContact O-N 3Å; F158-A161 PolarHBondContact O-N 2.87Å; F158-L162 WeakPolarHBondContact O-CG 3.46Å; F158-L162 PolarHBondContact O-N 3.07Å; F158-C194 HydrophobicContact CB-CB 4.14Å; F158-C194 HydrophobicContact CD1-CB 4.5Å; F158-D197 HydrophobicContact CD1-CB 4.18Å; F158-D197 HydrophobicContact CD2-CB 3.78Å; F158-D197 HydrophobicContact CE1-CB 4.01Å; F158-D197 WeakPolarHBondContact CE1-OD2 3.25Å; F158-D197 HydrophobicContact CE2-CB 3.6Å; F158-D197 HydrophobicContact CG-CB 4.08Å; F158-D197 HydrophobicContact CZ-CB 3.72Å; F158-D197 WeakPolarHBondContact CZ-OD2 3.31Å; F158-L198 HydrophobicContact CB-CD1 3.98Å; F158-L198 HydrophobicContact CB-CD2 4.02Å; F158-L198 HydrophobicContact CB-CG 3.78Å |
| 159 | K | 98.1 | Very high | 96.9 | Very high | 143 Ų | 143 | 49.4 Ų | 49.4 | 62% | 0.622 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.2 | -48.8 | 177.4 | -65.8 | -173.4 | 178.7 | -178 | 0 | 111.8 | Q157 A161 L162 E163 L198 | Q157-K159 PolarHBondContact O-N 3.36Å; K159-A161 VanDerWaalsContact C-N 3.32Å; K159-A161 PolarHBondContact O-N 3.39Å; K159-L162 WeakPolarHBondContact O-CB 3.41Å; K159-L162 PolarHBondContact O-N 3.43Å; K159-E163 PolarHBondContact O-N 3.5Å; K159-L198 HydrophobicContact CD-CD2 4.41Å; K159-L198 HydrophobicContact CG-CD1 3.8Å; K159-L198 HydrophobicContact CG-CD2 3.69Å; K159-L198 HydrophobicContact CG-CG 4.43Å |
| 160 | A | 98.1 | Very high | 96.8 | Very high | 31 Ų | 31 | 50.9 Ų | 50.9 | 26% | 0.256 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.1 | -36.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L152 Q157 L162 E163 Q164 | L152-A160 HydrophobicContact CD1-CB 3.93Å; L152-A160 HydrophobicContact CD2-CB 4.09Å; Q157-A160 HydrophobicContact CB-CB 4.43Å; Q157-A160 PolarHBondContact O-N 3.36Å; A160-L162 VanDerWaalsContact C-N 3.34Å; A160-E163 PolarHBondContact O-N 2.91Å; A160-Q164 PolarHBondContact O-N 2.93Å |
| 161 | A | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L152 L153 Q157 F158 K159 E163 Q164 L165 | L152-A161 HydrophobicContact CB-CB 3.82Å; L153-A161 HydrophobicContact CB-CB 4.35Å; Q157-A161 WeakPolarHBondContact O-CB 3.47Å; Q157-A161 PolarHBondContact O-N 3.41Å; F158-A161 PolarHBondContact O-N 2.87Å; K159-A161 VanDerWaalsContact C-N 3.32Å; K159-A161 PolarHBondContact O-N 3.39Å; A161-E163 VanDerWaalsContact C-N 3.35Å; A161-E163 PolarHBondContact O-N 3.24Å; A161-Q164 PolarHBondContact O-N 2.99Å; A161-L165 WeakPolarHBondContact O-CB 3.45Å; A161-L165 WeakPolarHBondContact O-CG 3.21Å; A161-L165 PolarHBondContact O-N 3.43Å |
| 162 | L | 97.8 | Very high | 96.7 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 6% | 0.058 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.9 | -41.9 | 177.2 | -81 | 171.3 | 0 | 0 | 0 | 112.8 | F158 K159 A160 Q164 L165 Q166 I191 C194 Y195 L198 | F158-L162 WeakPolarHBondContact O-CG 3.46Å; F158-L162 PolarHBondContact O-N 3.07Å; K159-L162 WeakPolarHBondContact O-CB 3.41Å; K159-L162 PolarHBondContact O-N 3.43Å; A160-L162 VanDerWaalsContact C-N 3.34Å; L162-Q164 VanDerWaalsContact C-N 3.3Å; L162-Q164 PolarHBondContact O-N 3.2Å; L162-L165 PolarHBondContact O-N 3.3Å; L162-Q166 WeakPolarHBondContact O-CB 3.39Å; L162-Q166 VanDerWaalsContact O-CG 3.22Å; L162-Q166 WeakPolarHBondContact O-CG 3.12Å; L162-Q166 PolarHBondContact O-N 3.29Å; L162-I191 HydrophobicContact CD2-CB 4.17Å; L162-I191 HydrophobicContact CD2-CG1 4.14Å; L162-I191 HydrophobicContact CD2-CG2 3.84Å; L162-C194 HydrophobicContact CD1-CB 4.01Å; L162-C194 HydrophobicContact CD2-CB 3.61Å; L162-C194 HydrophobicContact CG-CB 3.51Å; L162-Y195 HydrophobicContact CD1-CD1 3.78Å; L162-Y195 HydrophobicContact CD1-CE1 3.64Å; L162-Y195 HydrophobicContact CD1-CG 4.37Å; L162-Y195 HydrophobicContact CD2-CD2 4.22Å; L162-Y195 HydrophobicContact CD2-CE1 4.34Å; L162-Y195 HydrophobicContact CD2-CE2 4.02Å; L162-Y195 HydrophobicContact CD2-CG 4.47Å; L162-L198 HydrophobicContact CD1-CD1 3.49Å; L162-L198 VanDerWaalsContact CD1-CD1 3.49Å |
| 163 | E | 96.8 | Very high | 96.5 | Very high | 124 Ų | 124 | 48 Ų | 48 | 58% | 0.579 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -58.1 | -44.3 | 177.8 | -66.7 | 174.7 | 178.5 | 0 | 0 | 111.7 | K159 A160 A161 T167 | K159-E163 PolarHBondContact O-N 3.5Å; A160-E163 PolarHBondContact O-N 2.91Å; A161-E163 VanDerWaalsContact C-N 3.35Å; A161-E163 PolarHBondContact O-N 3.24Å; E163-T167 PolarHBondContact O-N 3.32Å; E163-T167 PolarHBondContact O-OG1 2.9Å |
| 164 | Q | 97.2 | Very high | 96.4 | Very high | 36 Ų | 36 | 48 Ų | 48 | 17% | 0.168 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.7 | -44.7 | 175.9 | -61.7 | -58.1 | -40.5 | 0 | 0 | 111.4 | Q148 A149 L152 A160 A161 L162 Q166 T167 V168 | Q148-Q164 HydrophobicContact CB-CG 4.48Å; Q148-Q164 HydrophobicContact CG-CG 4.18Å; A149-Q164 HydrophobicContact CB-CB 3.77Å; L152-Q164 HydrophobicContact CD1-CG 4Å; A160-Q164 PolarHBondContact O-N 2.93Å; A161-Q164 PolarHBondContact O-N 2.99Å; L162-Q164 VanDerWaalsContact C-N 3.3Å; L162-Q164 PolarHBondContact O-N 3.2Å; Q164-Q166 PolarHBondContact O-N 3.05Å; Q164-T167 WeakPolarHBondContact O-CB 3.42Å; Q164-T167 PolarHBondContact O-N 3.13Å; Q164-V168 WeakPolarHBondContact O-CG2 3.22Å; Q164-V168 PolarHBondContact O-N 3.32Å |
| 165 | L | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.3 | -37.2 | -178.8 | -69.9 | 168.3 | 0 | 0 | 0 | 113.4 | A149 A161 L162 T167 V168 L169 A190 I191 F273 | A149-L165 HydrophobicContact CB-CD2 3.79Å; A149-L165 HydrophobicContact CB-CG 3.81Å; A161-L165 WeakPolarHBondContact O-CB 3.45Å; A161-L165 WeakPolarHBondContact O-CG 3.21Å; A161-L165 PolarHBondContact O-N 3.43Å; L162-L165 PolarHBondContact O-N 3.3Å; L165-T167 VanDerWaalsContact C-N 3.32Å; L165-V168 PolarHBondContact O-N 3.13Å; L165-L169 WeakPolarHBondContact O-CB 3.28Å; L165-L169 PolarHBondContact O-N 3.04Å; L165-A190 HydrophobicContact CD1-CB 3.77Å; L165-A190 HydrophobicContact CD2-CB 3.74Å; L165-A190 HydrophobicContact CG-CB 4.43Å; L165-I191 HydrophobicContact CB-CD1 3.99Å; L165-I191 HydrophobicContact CB-CG1 3.51Å; L165-I191 HydrophobicContact CD1-CG1 4Å; L165-I191 HydrophobicContact CG-CG1 4.28Å; L165-F273 HydrophobicContact CD2-CE1 3.85Å; L165-F273 HydrophobicContact CD2-CE2 3.73Å; L165-F273 HydrophobicContact CD2-CZ 3.11Å |
| 166 | Q | 96.5 | Very high | 96.1 | Very high | 89 Ų | 89 | 40.1 Ų | 40.1 | 42% | 0.416 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.7 | -40.5 | 175.6 | -74 | 172.9 | -1.1 | 0 | 0 | 110.8 | L162 Q164 L169 E170 Y195 | L162-Q166 WeakPolarHBondContact O-CB 3.39Å; L162-Q166 VanDerWaalsContact O-CG 3.22Å; L162-Q166 WeakPolarHBondContact O-CG 3.12Å; L162-Q166 PolarHBondContact O-N 3.29Å; Q164-Q166 PolarHBondContact O-N 3.05Å; Q166-L169 PolarHBondContact O-N 3.28Å; Q166-E170 WeakPolarHBondContact O-CB 3.4Å; Q166-E170 PolarHBondContact O-N 3.32Å; Q166-Y195 PolarHBondContact NE2-OH 3.05Å |
| 167 | T | 96.2 | Very high | 95.8 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 23% | 0.227 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.5 | -47.5 | 173 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | V68 I70 E145 E163 Q164 L165 I171 | V68-T167 HydrophobicContact CG2-CG2 3.64Å; I70-T167 HydrophobicContact CG2-CG2 4.14Å; E145-T167 HydrophobicContact CG-CG2 4.32Å; E163-T167 PolarHBondContact O-N 3.32Å; E163-T167 PolarHBondContact O-OG1 2.9Å; Q164-T167 WeakPolarHBondContact O-CB 3.42Å; Q164-T167 PolarHBondContact O-N 3.13Å; L165-T167 VanDerWaalsContact C-N 3.32Å; T167-I171 HydrophobicContact CG2-CD1 4.22Å; T167-I171 WeakPolarHBondContact O-CG1 3.46Å; T167-I171 PolarHBondContact O-N 3.39Å |
| 168 | V | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.1 | -50.1 | 176.5 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | T142 E145 Q146 Q164 L165 E170 I171 Q172 A187 | T142-V168 HydrophobicContact CG2-CG1 4.11Å; E145-V168 HydrophobicContact CB-CG2 3.55Å; Q146-V168 HydrophobicContact CG-CB 4.38Å; Q146-V168 HydrophobicContact CG-CG1 3.73Å; Q146-V168 HydrophobicContact CG-CG2 3.72Å; Q164-V168 WeakPolarHBondContact O-CG2 3.22Å; Q164-V168 PolarHBondContact O-N 3.32Å; L165-V168 PolarHBondContact O-N 3.13Å; V168-E170 PolarHBondContact O-N 3.25Å; V168-I171 PolarHBondContact O-N 3.18Å; V168-Q172 HydrophobicContact CG1-CG 4.19Å; V168-Q172 WeakPolarHBondContact O-CB 3.36Å; V168-Q172 VanDerWaalsContact O-CG 3.28Å; V168-Q172 WeakPolarHBondContact O-CG 3.28Å; V168-Q172 PolarHBondContact O-N 3.3Å; V168-A187 HydrophobicContact CG1-CB 4.07Å |
| 169 | L | 96.3 | Very high | 95.4 | Very high | 21 Ų | 21 | 38.5 Ų | 38.5 | 11% | 0.11 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60 | -46 | -177.9 | 178.9 | 61.8 | 0 | 0 | 0 | 111.1 | L165 Q166 I171 Q172 E173 T184 A187 L188 I191 | L165-L169 WeakPolarHBondContact O-CB 3.28Å; L165-L169 PolarHBondContact O-N 3.04Å; Q166-L169 PolarHBondContact O-N 3.28Å; L169-I171 VanDerWaalsContact C-N 3.32Å; L169-I171 PolarHBondContact O-N 2.89Å; L169-Q172 PolarHBondContact O-N 3.45Å; L169-E173 HydrophobicContact CD1-CG 4.12Å; L169-E173 HydrophobicContact CG-CG 4.36Å; L169-E173 WeakPolarHBondContact O-CB 3.33Å; L169-E173 WeakPolarHBondContact O-CG 3.27Å; L169-E173 PolarHBondContact O-N 3.42Å; L169-T184 HydrophobicContact CD1-CG2 3.95Å; L169-A187 HydrophobicContact CB-CB 4.45Å; L169-L188 HydrophobicContact CD1-CD1 4.4Å; L169-L188 HydrophobicContact CD1-CD2 3.94Å; L169-L188 HydrophobicContact CD1-CG 3.82Å; L169-L188 HydrophobicContact CD2-CD2 3.6Å; L169-L188 HydrophobicContact CD2-CG 4.35Å; L169-L188 HydrophobicContact CG-CD2 4.45Å; L169-I191 HydrophobicContact CB-CD1 4.08Å; L169-I191 HydrophobicContact CD2-CD1 3.71Å; L169-I191 HydrophobicContact CG-CD1 4.49Å |
| 170 | E | 95.1 | Very high | 95.2 | Very high | 31 Ų | 31 | 39.5 Ų | 39.5 | 15% | 0.145 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.6 | -40.7 | -179.6 | -171.8 | 176.7 | 145.4 | 0 | 0 | 111.9 | R66 V68 Q166 V168 K174 | R66-E170 HydrophobicContact CB-CG 4.38Å; R66-E170 WeakPolarHBondContact CB-OE1 3.33Å; R66-E170 WeakPolarHBondContact CB-OE2 3.34Å; V68-E170 HydrophobicContact CB-CB 4.32Å; V68-E170 HydrophobicContact CB-CG 4.01Å; V68-E170 VanDerWaalsContact CB-OE1 3.32Å; V68-E170 WeakPolarHBondContact CB-OE1 3.48Å; V68-E170 HydrophobicContact CG1-CG 4.12Å; V68-E170 HydrophobicContact CG2-CB 4.49Å; V68-E170 PolarHBondContact N-OE1 3.37Å; V68-E170 VanDerWaalsContact N-OE1 3.12Å; Q166-E170 WeakPolarHBondContact O-CB 3.4Å; Q166-E170 PolarHBondContact O-N 3.32Å; V168-E170 PolarHBondContact O-N 3.25Å; E170-K174 VanDerWaalsContact O-CG 3.28Å; E170-K174 WeakPolarHBondContact O-CG 3.46Å; E170-K174 PolarHBondContact O-N 2.85Å; E170-K174 IonicContact OE1-NZ 2.61Å |
| 171 | I | 94.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65 | -48.3 | 174.2 | -66.8 | 167.2 | 0 | 0 | 0 | 110.4 | V68 I70 F141 T142 T167 V168 L169 E173 K174 L175 | V68-I171 HydrophobicContact CB-CG1 4.24Å; V68-I171 HydrophobicContact CG1-CD1 4.49Å; V68-I171 HydrophobicContact CG1-CG1 3.53Å; V68-I171 HydrophobicContact CG2-CD1 3.96Å; V68-I171 HydrophobicContact CG2-CG1 3.7Å; I70-I171 HydrophobicContact CG2-CD1 3.41Å; I70-I171 VanDerWaalsContact CG2-CD1 3.41Å; F141-I171 HydrophobicContact CB-CG2 3.62Å; F141-I171 HydrophobicContact CG-CG2 4.42Å; F141-I171 WeakPolarHBondContact O-CD1 3.37Å; T142-I171 HydrophobicContact CG2-CB 3.96Å; T142-I171 HydrophobicContact CG2-CD1 4.34Å; T142-I171 HydrophobicContact CG2-CG2 3.69Å; T167-I171 HydrophobicContact CG2-CD1 4.22Å; T167-I171 WeakPolarHBondContact O-CG1 3.46Å; T167-I171 PolarHBondContact O-N 3.39Å; V168-I171 PolarHBondContact O-N 3.18Å; L169-I171 VanDerWaalsContact C-N 3.32Å; L169-I171 PolarHBondContact O-N 2.89Å; I171-E173 VanDerWaalsContact C-N 3.31Å; I171-E173 PolarHBondContact O-N 3.03Å; I171-K174 WeakPolarHBondContact O-CB 3.43Å; I171-K174 PolarHBondContact O-N 3.38Å; I171-K174 VanDerWaalsContact O-N 3.08Å; I171-L175 HydrophobicContact CG2-CD1 3.83Å; I171-L175 HydrophobicContact CG2-CG 4.25Å; I171-L175 WeakPolarHBondContact O-CG 3.49Å; I171-L175 PolarHBondContact O-N 3.05Å |
| 172 | Q | 95.3 | Very high | 94.8 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61 | -39.6 | -178.9 | -72.9 | -178.3 | -28.2 | 0 | 0 | 112.1 | T142 Q146 V168 L169 K174 L175 L176 L183 T184 | T142-Q172 HydrophobicContact CG2-CG 4.19Å; Q146-Q172 VanDerWaalsContact NE2-NE2 3.19Å; V168-Q172 HydrophobicContact CG1-CG 4.19Å; V168-Q172 WeakPolarHBondContact O-CB 3.36Å; V168-Q172 VanDerWaalsContact O-CG 3.28Å; V168-Q172 WeakPolarHBondContact O-CG 3.28Å; V168-Q172 PolarHBondContact O-N 3.3Å; L169-Q172 PolarHBondContact O-N 3.45Å; Q172-K174 VanDerWaalsContact C-N 3.32Å; Q172-K174 PolarHBondContact O-N 2.95Å; Q172-L175 CarbonylContact O-C 3.59Å; Q172-L175 PolarHBondContact O-N 2.9Å; Q172-L176 WeakPolarHBondContact O-CA 3.49Å; Q172-L176 WeakPolarHBondContact O-CB 3.41Å; Q172-L176 PolarHBondContact O-N 3.26Å; Q172-L183 HydrophobicContact CB-CD2 3.91Å; Q172-L183 HydrophobicContact CB-CG 4.02Å; Q172-L183 HydrophobicContact CG-CD1 4.32Å; Q172-L183 HydrophobicContact CG-CD2 3.96Å; Q172-L183 HydrophobicContact CG-CG 3.84Å; Q172-L183 PolarHBondContact NE2-O 3.22Å; Q172-L183 PolarHBondContact OE1-O 3.08Å; Q172-T184 HydrophobicContact CB-CG2 3.82Å |
| 173 | E | 93.6 | Very high | 94.6 | Very high | 72 Ų | 72 | 43 Ų | 43 | 34% | 0.336 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.3 | -36.5 | 174.2 | -74.4 | 180 | 160.8 | 0 | 0 | 112.6 | R59 L169 I171 T184 | R59-E173 PolarHBondContact NH1-O 3.18Å; L169-E173 HydrophobicContact CD1-CG 4.12Å; L169-E173 HydrophobicContact CG-CG 4.36Å; L169-E173 WeakPolarHBondContact O-CB 3.33Å; L169-E173 WeakPolarHBondContact O-CG 3.27Å; L169-E173 PolarHBondContact O-N 3.42Å; I171-E173 VanDerWaalsContact C-N 3.31Å; I171-E173 PolarHBondContact O-N 3.03Å; E173-T184 HydrophobicContact CG-CG2 4.23Å |
| 174 | K | 92.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.013 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.3 | -36.7 | 174.3 | -70.3 | 169.9 | -172.9 | -115.4 | 0 | 111.7 | L33 V57 R59 D64 R66 V68 E170 I171 Q172 W178 | L33-K174 HydrophobicContact CD1-CB 4.11Å; V57-K174 HydrophobicContact CB-CD 4.43Å; V57-K174 HydrophobicContact CG1-CB 4.29Å; V57-K174 HydrophobicContact CG1-CD 4.19Å; V57-K174 WeakPolarHBondContact O-CD 3.42Å; V57-K174 PolarHBondContact O-NZ 2.8Å; R59-K174 HydrophobicContact CG-CB 4.11Å; R59-K174 HydrophobicContact CG-CG 4.15Å; D64-K174 IonicContact OD1-NZ 3.53Å; D64-K174 PolarHBondContact OD1-NZ 2.82Å; D64-K174 IonicContact OD2-NZ 3.8Å; D64-K174 PolarHBondContact OD2-NZ 2.77Å; R66-K174 PolarHBondContact O-NZ 3.25Å; V68-K174 HydrophobicContact CG1-CD 3.93Å; E170-K174 VanDerWaalsContact O-CG 3.28Å; E170-K174 WeakPolarHBondContact O-CG 3.46Å; E170-K174 PolarHBondContact O-N 2.85Å; E170-K174 IonicContact OE1-NZ 2.61Å; I171-K174 WeakPolarHBondContact O-CB 3.43Å; I171-K174 PolarHBondContact O-N 3.38Å; I171-K174 VanDerWaalsContact O-N 3.08Å; Q172-K174 VanDerWaalsContact C-N 3.32Å; Q172-K174 PolarHBondContact O-N 2.95Å; K174-W178 WeakPolarHBondContact O-CZ3 3.39Å |
| 175 | L | 92.7 | Very high | 94.5 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -81.3 | -20.7 | 179 | -63.3 | -179.9 | 0 | 0 | 0 | 113.9 | L33 F137 F141 I171 Q172 P177 W178 Q179 L183 | L33-L175 HydrophobicContact CD2-CD2 3.33Å; F137-L175 HydrophobicContact CE1-CD2 4.43Å; F141-L175 HydrophobicContact CD2-CD1 4.17Å; I171-L175 HydrophobicContact CG2-CD1 3.83Å; I171-L175 HydrophobicContact CG2-CG 4.25Å; I171-L175 WeakPolarHBondContact O-CG 3.49Å; I171-L175 PolarHBondContact O-N 3.05Å; Q172-L175 CarbonylContact O-C 3.59Å; Q172-L175 PolarHBondContact O-N 2.9Å; L175-P177 VanDerWaalsContact C-N 3.32Å; L175-P177 WeakPolarHBondContact O-CD 3.27Å; L175-P177 VanDerWaalsContact O-N 3.1Å; L175-W178 PolarHBondContact O-N 2.78Å; L175-Q179 HydrophobicContact CB-CG 4.03Å; L175-Q179 WeakPolarHBondContact O-CG 3.43Å; L175-Q179 PolarHBondContact O-N 2.98Å; L175-L183 HydrophobicContact CB-CD2 4.4Å |
| 176 | L | 92.4 | Very high | 94.5 | Very high | 60 Ų | 60 | 37.6 Ų | 37.6 | 31% | 0.314 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -48.5 | -39.6 | -170.6 | -166.7 | 64.7 | 0 | 0 | 0 | 115.2 | Q172 W178 Q179 L183 T184 | Q172-L176 WeakPolarHBondContact O-CA 3.49Å; Q172-L176 WeakPolarHBondContact O-CB 3.41Å; Q172-L176 PolarHBondContact O-N 3.26Å; L176-W178 PolarHBondContact O-N 3.48Å; L176-Q179 PolarHBondContact O-N 3.34Å; L176-Q179 VanDerWaalsContact O-N 3.09Å; L176-L183 HydrophobicContact CD1-CB 4.22Å; L176-T184 HydrophobicContact CD1-CG2 4.41Å |
| 177 | P | 91.4 | Very high | 94.5 | Very high | 81 Ų | 81 | 33.4 Ų | 33.4 | 53% | 0.526 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -59.7 | -20.7 | 179.2 | -25.2 | 35.9 | 0 | 0 | 0 | 115 | L175 | L175-P177 VanDerWaalsContact C-N 3.32Å; L175-P177 WeakPolarHBondContact O-CD 3.27Å; L175-P177 VanDerWaalsContact O-N 3.1Å |
| 178 | W | 92.6 | Very high | 94.5 | Very high | 36 Ų | 36 | 31.9 Ų | 31.9 | 14% | 0.136 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -114.1 | 10.5 | -179.7 | -56.6 | -78.4 | 0 | 0 | 0 | 112.9 | L33 F126 R132 H133 K174 L175 L176 | L33-W178 HydrophobicContact CB-CH2 3.86Å; L33-W178 HydrophobicContact CB-CZ3 3.82Å; L33-W178 HydrophobicContact CD1-CZ3 4.23Å; L33-W178 HydrophobicContact CD2-CE3 4.47Å; L33-W178 HydrophobicContact CD2-CZ3 4.27Å; L33-W178 HydrophobicContact CG-CZ3 4.36Å; F126-W178 AromaticContact CE2-CD2 3.97Å; F126-W178 HydrophobicContact CE2-CD2 3.97Å; F126-W178 HydrophobicContact CE2-CE3 4.08Å; F126-W178 HydrophobicContact CE2-CG 4.29Å; F126-W178 AromaticContact CZ-CD2 3.68Å; F126-W178 HydrophobicContact CZ-CD2 3.68Å; F126-W178 AromaticContact CZ-CE2 3.63Å; F126-W178 AromaticContact CZ-CE3 3.92Å; F126-W178 HydrophobicContact CZ-CE3 3.92Å; F126-W178 HydrophobicContact CZ-CG 4.26Å; F126-W178 HydrophobicContact CZ-CH2 4.08Å; F126-W178 AromaticContact CZ-CZ2 3.84Å; F126-W178 HydrophobicContact CZ-CZ2 3.84Å; F126-W178 HydrophobicContact CZ-CZ3 4.12Å; R132-W178 VanDerWaalsContact CD-CD1 3.4Å; R132-W178 HydrophobicContact CG-CB 3.82Å; R132-W178 HydrophobicContact CG-CG 3.99Å; H133-W178 WeakPolarHBondContact CA-O 3.42Å; H133-W178 PolarHBondContact CD2-O 3.29Å; K174-W178 WeakPolarHBondContact O-CZ3 3.39Å; L175-W178 PolarHBondContact O-N 2.78Å; L176-W178 PolarHBondContact O-N 3.48Å |
| 179 | Q | 94.2 | Very high | 94.6 | Very high | 27 Ų | 27 | 31.9 Ų | 31.9 | 13% | 0.126 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -128.7 | 172 | -173.6 | -67.2 | -71.8 | -40 | 0 | 0 | 110.1 | R132 S134 S138 L175 L176 S181 L183 | R132-Q179 PolarHBondContact O-NE2 2.93Å; S134-Q179 PolarHBondContact O-NE2 3.4Å; S138-Q179 PolarHBondContact OG-OE1 2.72Å; S138-Q179 VanDerWaalsContact OG-OE1 3.05Å; L175-Q179 HydrophobicContact CB-CG 4.03Å; L175-Q179 WeakPolarHBondContact O-CG 3.43Å; L175-Q179 PolarHBondContact O-N 2.98Å; L176-Q179 PolarHBondContact O-N 3.34Å; L176-Q179 VanDerWaalsContact O-N 3.09Å; Q179-S181 PolarHBondContact O-N 3.05Å; Q179-L183 HydrophobicContact CB-CB 4.5Å; Q179-L183 HydrophobicContact CB-CD2 3.67Å; Q179-L183 HydrophobicContact CG-CD2 3.9Å |
| 180 | K | 93.2 | Very high | 94.6 | Very high | 163 Ų | 163 | 30.9 Ų | 30.9 | 71% | 0.709 | 16% | 0.162 | S | C | * | . | trans | -62.3 | 137.1 | 175.4 | -64.2 | 177.7 | -177.2 | 172.6 | 0 | 109.2 | T182 L183 | K180-T182 PolarHBondContact O-N 2.92Å; K180-L183 VanDerWaalsContact O-CB 3.23Å; K180-L183 WeakPolarHBondContact O-CB 3.45Å; K180-L183 PolarHBondContact O-N 3.18Å | ||
| 181 | S | 92.3 | Very high | 94.8 | Very high | 53 Ų | 53 | 29.7 Ų | 29.7 | 37% | 0.371 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -13.9 | 176.7 | -51.7 | 0 | 0 | 0 | 0 | 114.2 | Q179 P214 Y218 | Q179-S181 PolarHBondContact O-N 3.05Å; S181-P214 WeakPolarHBondContact O-CB 3.49Å; S181-Y218 PolarHBondContact OG-OH 3.44Å |
| 182 | T | 94.8 | Very high | 95 | Very high | 33 Ų | 33 | 29.6 Ų | 29.6 | 20% | 0.202 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -3.7 | 177.4 | 56.7 | 0 | 0 | 0 | 0 | 113.9 | K180 T184 V185 Y218 L220 | K180-T182 PolarHBondContact O-N 2.92Å; T182-T184 VanDerWaalsContact C-N 3.28Å; T182-T184 PolarHBondContact O-N 2.97Å; T182-V185 WeakPolarHBondContact O-CB 3.43Å; T182-V185 PolarHBondContact O-N 3.02Å; T182-V185 VanDerWaalsContact O-N 3.17Å; T182-Y218 HydrophobicContact CG2-CD2 3.96Å; T182-Y218 HydrophobicContact CG2-CG 3.98Å; T182-L220 HydrophobicContact CG2-CD1 3.75Å; T182-L220 HydrophobicContact CG2-CD2 4.42Å; T182-L220 HydrophobicContact CG2-CG 4.18Å |
| 183 | L | 95.1 | Very high | 95.1 | Very high | 31 Ų | 31 | 29.5 Ų | 29.5 | 16% | 0.162 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -40.4 | -172.4 | 177.8 | 65.9 | 0 | 0 | 0 | 113.2 | Q172 L175 L176 Q179 K180 P186 | Q172-L183 HydrophobicContact CB-CD2 3.91Å; Q172-L183 HydrophobicContact CB-CG 4.02Å; Q172-L183 HydrophobicContact CG-CD1 4.32Å; Q172-L183 HydrophobicContact CG-CD2 3.96Å; Q172-L183 HydrophobicContact CG-CG 3.84Å; Q172-L183 PolarHBondContact NE2-O 3.22Å; Q172-L183 PolarHBondContact OE1-O 3.08Å; L175-L183 HydrophobicContact CB-CD2 4.4Å; L176-L183 HydrophobicContact CD1-CB 4.22Å; Q179-L183 HydrophobicContact CB-CB 4.5Å; Q179-L183 HydrophobicContact CB-CD2 3.67Å; Q179-L183 HydrophobicContact CG-CD2 3.9Å; K180-L183 VanDerWaalsContact O-CB 3.23Å; K180-L183 WeakPolarHBondContact O-CB 3.45Å; K180-L183 PolarHBondContact O-N 3.18Å; L183-P186 WeakPolarHBondContact O-CD 3.3Å |
| 184 | T | 95.9 | Very high | 95.3 | Very high | 12 Ų | 12 | 26 Ų | 26 | 7% | 0.074 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -13.4 | -175.3 | 54.1 | 0 | 0 | 0 | 0 | 114 | L169 Q172 E173 L176 T182 A187 L188 | L169-T184 HydrophobicContact CD1-CG2 3.95Å; Q172-T184 HydrophobicContact CB-CG2 3.82Å; E173-T184 HydrophobicContact CG-CG2 4.23Å; L176-T184 HydrophobicContact CD1-CG2 4.41Å; T182-T184 VanDerWaalsContact C-N 3.28Å; T182-T184 PolarHBondContact O-N 2.97Å; T184-A187 PolarHBondContact O-N 3.39Å; T184-L188 WeakPolarHBondContact O-CG 3.33Å; T184-L188 PolarHBondContact O-N 2.96Å |
| 185 | V | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.9 | -47.9 | -172.9 | 171.9 | 0 | 0 | 0 | 0 | 112.6 | T182 A187 L188 A189 P214 V215 L220 Y223 | T182-V185 WeakPolarHBondContact O-CB 3.43Å; T182-V185 PolarHBondContact O-N 3.02Å; T182-V185 VanDerWaalsContact O-N 3.17Å; V185-A187 PolarHBondContact O-N 2.93Å; V185-L188 PolarHBondContact O-N 3.17Å; V185-A189 VanDerWaalsContact O-CB 3.3Å; V185-A189 WeakPolarHBondContact O-CB 3.42Å; V185-A189 PolarHBondContact O-N 3.24Å; V185-P214 HydrophobicContact CG2-CB 4.07Å; V185-P214 HydrophobicContact CG2-CG 3.57Å; V185-V215 HydrophobicContact CB-CG2 4.33Å; V185-V215 HydrophobicContact CG1-CG2 3.44Å; V185-V215 VanDerWaalsContact CG1-CG2 3.44Å; V185-V215 HydrophobicContact CG2-CG2 3.87Å; V185-L220 HydrophobicContact CB-CD1 4.08Å; V185-L220 HydrophobicContact CG1-CD1 3.87Å; V185-L220 HydrophobicContact CG2-CD1 3.97Å; V185-Y223 HydrophobicContact CG1-CD1 4.2Å; V185-Y223 HydrophobicContact CG1-CD2 4.16Å; V185-Y223 HydrophobicContact CG1-CG 3.96Å |
| 186 | P | 95.6 | Very high | 95.8 | Very high | 34 Ų | 34 | 31.1 Ų | 31.1 | 22% | 0.221 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.1 | -41.4 | 180 | -23.4 | 35.8 | 0 | 0 | 0 | 112.7 | L183 A189 A190 F273 | L183-P186 WeakPolarHBondContact O-CD 3.3Å; P186-A189 PolarHBondContact O-N 3.13Å; P186-A190 WeakPolarHBondContact O-CB 3.47Å; P186-A190 PolarHBondContact O-N 2.92Å; P186-F273 HydrophobicContact CB-CD2 3.98Å; P186-F273 HydrophobicContact CB-CE2 4.3Å; P186-F273 WeakPolarHBondContact O-CD2 3.49Å; P186-F273 WeakPolarHBondContact O-CE2 3.41Å |
| 187 | A | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.2 | -48.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V168 L169 T184 V185 A189 A190 I191 | V168-A187 HydrophobicContact CG1-CB 4.07Å; L169-A187 HydrophobicContact CB-CB 4.45Å; T184-A187 PolarHBondContact O-N 3.39Å; V185-A187 PolarHBondContact O-N 2.93Å; A187-A189 VanDerWaalsContact C-N 3.34Å; A187-A189 PolarHBondContact O-N 3.45Å; A187-A190 PolarHBondContact O-N 2.83Å; A187-I191 WeakPolarHBondContact O-CB 3.46Å; A187-I191 VanDerWaalsContact O-CG1 3.22Å; A187-I191 WeakPolarHBondContact O-CG1 3.29Å; A187-I191 PolarHBondContact O-N 3.5Å |
| 188 | L | 97.8 | Very high | 96.3 | Very high | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.7 | -40.3 | 177.4 | -73.3 | 166.9 | 0 | 0 | 0 | 112.4 | L169 T184 V185 I191 A192 Q210 A211 | L169-L188 HydrophobicContact CD1-CD1 4.4Å; L169-L188 HydrophobicContact CD1-CD2 3.94Å; L169-L188 HydrophobicContact CD1-CG 3.82Å; L169-L188 HydrophobicContact CD2-CD2 3.6Å; L169-L188 HydrophobicContact CD2-CG 4.35Å; L169-L188 HydrophobicContact CG-CD2 4.45Å; T184-L188 WeakPolarHBondContact O-CG 3.33Å; T184-L188 PolarHBondContact O-N 2.96Å; V185-L188 PolarHBondContact O-N 3.17Å; L188-I191 PolarHBondContact O-N 3.09Å; L188-A192 WeakPolarHBondContact O-CB 3.44Å; L188-A192 PolarHBondContact O-N 2.77Å; L188-Q210 HydrophobicContact CD1-CB 3.97Å; L188-Q210 HydrophobicContact CD2-CB 4.08Å; L188-A211 HydrophobicContact CB-CB 3.77Å; L188-A211 HydrophobicContact CD1-CB 4.21Å |
| 189 | A | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63 | -44.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V185 P186 A187 A192 V193 Y223 L265 V269 | V185-A189 VanDerWaalsContact O-CB 3.3Å; V185-A189 WeakPolarHBondContact O-CB 3.42Å; V185-A189 PolarHBondContact O-N 3.24Å; P186-A189 PolarHBondContact O-N 3.13Å; A187-A189 VanDerWaalsContact C-N 3.34Å; A187-A189 PolarHBondContact O-N 3.45Å; A189-A192 PolarHBondContact O-N 3.34Å; A189-V193 WeakPolarHBondContact O-CG2 3.38Å; A189-V193 PolarHBondContact O-N 2.96Å; A189-Y223 HydrophobicContact CB-CD1 3.84Å; A189-Y223 HydrophobicContact CB-CE1 3.76Å; A189-L265 HydrophobicContact CB-CD1 4.09Å; A189-L265 HydrophobicContact CB-CD2 4.45Å; A189-L265 HydrophobicContact CB-CG 4.47Å; A189-V269 HydrophobicContact CB-CG2 3.94Å |
| 190 | A | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.2 | -39.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L153 L165 P186 A187 V193 C194 V269 F273 | L153-A190 HydrophobicContact CD1-CB 4.27Å; L165-A190 HydrophobicContact CD1-CB 3.77Å; L165-A190 HydrophobicContact CD2-CB 3.74Å; L165-A190 HydrophobicContact CG-CB 4.43Å; P186-A190 WeakPolarHBondContact O-CB 3.47Å; P186-A190 PolarHBondContact O-N 2.92Å; A187-A190 PolarHBondContact O-N 2.83Å; A190-V193 PolarHBondContact O-N 3.46Å; A190-C194 PolarHBondContact O-N 2.88Å; A190-C194 PolarHBondContact O-SG 3.01Å; A190-V269 HydrophobicContact CB-CG1 3.68Å; A190-V269 HydrophobicContact CB-CG2 4.33Å; A190-F273 HydrophobicContact CB-CD2 3.83Å; A190-F273 HydrophobicContact CB-CE2 3.68Å; A190-F273 HydrophobicContact CB-CG 4.44Å; A190-F273 HydrophobicContact CB-CZ 4.16Å |
| 191 | I | 98.4 | Very high | 97 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.9 | -46.1 | 174.6 | -72.2 | 167.7 | 0 | 0 | 0 | 110.4 | L162 L165 L169 A187 L188 V193 C194 Y195 A207 | L162-I191 HydrophobicContact CD2-CB 4.17Å; L162-I191 HydrophobicContact CD2-CG1 4.14Å; L162-I191 HydrophobicContact CD2-CG2 3.84Å; L165-I191 HydrophobicContact CB-CD1 3.99Å; L165-I191 HydrophobicContact CB-CG1 3.51Å; L165-I191 HydrophobicContact CD1-CG1 4Å; L165-I191 HydrophobicContact CG-CG1 4.28Å; L169-I191 HydrophobicContact CB-CD1 4.08Å; L169-I191 HydrophobicContact CD2-CD1 3.71Å; L169-I191 HydrophobicContact CG-CD1 4.49Å; A187-I191 WeakPolarHBondContact O-CB 3.46Å; A187-I191 VanDerWaalsContact O-CG1 3.22Å; A187-I191 WeakPolarHBondContact O-CG1 3.29Å; A187-I191 PolarHBondContact O-N 3.5Å; L188-I191 PolarHBondContact O-N 3.09Å; I191-V193 VanDerWaalsContact C-N 3.32Å; I191-V193 PolarHBondContact O-N 3.35Å; I191-C194 PolarHBondContact O-N 3.48Å; I191-C194 VanDerWaalsContact O-N 3.16Å; I191-Y195 HydrophobicContact CG2-CD2 3.5Å; I191-Y195 HydrophobicContact CG2-CE2 3.3Å; I191-Y195 WeakPolarHBondContact O-CD2 3.23Å; I191-Y195 PolarHBondContact O-N 3Å; I191-A207 HydrophobicContact CB-CB 4.41Å; I191-A207 HydrophobicContact CG2-CB 3.79Å |
| 192 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.8 | -41.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L188 A189 R196 A207 A208 L230 L265 | L188-A192 WeakPolarHBondContact O-CB 3.44Å; L188-A192 PolarHBondContact O-N 2.77Å; A189-A192 PolarHBondContact O-N 3.34Å; A192-R196 WeakPolarHBondContact O-CB 3.45Å; A192-R196 PolarHBondContact O-N 3.43Å; A192-A207 HydrophobicContact CB-CB 4Å; A192-A208 HydrophobicContact CB-CB 4Å; A192-L230 HydrophobicContact CB-CD2 3.95Å; A192-L265 HydrophobicContact CB-CD2 4.27Å |
| 193 | V | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.6 | -45.5 | 173.8 | 171 | 0 | 0 | 0 | 0 | 111.3 | A189 A190 I191 R196 D197 L265 K266 V269 | A189-V193 WeakPolarHBondContact O-CG2 3.38Å; A189-V193 PolarHBondContact O-N 2.96Å; A190-V193 PolarHBondContact O-N 3.46Å; I191-V193 VanDerWaalsContact C-N 3.32Å; I191-V193 PolarHBondContact O-N 3.35Å; V193-R196 PolarHBondContact O-N 3.37Å; V193-D197 WeakPolarHBondContact O-CB 3.41Å; V193-D197 PolarHBondContact O-N 3.39Å; V193-L265 HydrophobicContact CG2-CB 4.07Å; V193-L265 HydrophobicContact CG2-CD2 3.91Å; V193-L265 HydrophobicContact CG2-CG 3.79Å; V193-K266 HydrophobicContact CG1-CB 3.84Å; V193-K266 HydrophobicContact CG1-CD 4.13Å; V193-K266 HydrophobicContact CG1-CG 3.85Å; V193-K266 HydrophobicContact CG2-CB 4.27Å; V193-V269 HydrophobicContact CG2-CG2 4.12Å |
| 194 | C | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.1 | -44.6 | -179.7 | -65.8 | 0 | 0 | 0 | 0 | 112.1 | F158 L162 A190 I191 D197 L198 | F158-C194 HydrophobicContact CB-CB 4.14Å; F158-C194 HydrophobicContact CD1-CB 4.5Å; L162-C194 HydrophobicContact CD1-CB 4.01Å; L162-C194 HydrophobicContact CD2-CB 3.61Å; L162-C194 HydrophobicContact CG-CB 3.51Å; A190-C194 PolarHBondContact O-N 2.88Å; A190-C194 PolarHBondContact O-SG 3.01Å; I191-C194 PolarHBondContact O-N 3.48Å; I191-C194 VanDerWaalsContact O-N 3.16Å; C194-D197 PolarHBondContact O-N 3.43Å; C194-L198 WeakPolarHBondContact O-CB 3.43Å; C194-L198 VanDerWaalsContact O-CG 3.23Å; C194-L198 WeakPolarHBondContact O-CG 3.33Å; C194-L198 PolarHBondContact O-N 3.31Å |
| 195 | Y | 98.6 | Very high | 97.7 | Very high | 39 Ų | 39 | 30.6 Ų | 30.6 | 15% | 0.153 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.9 | -40 | 176.9 | -77.2 | -54.4 | 0 | 0 | 0 | 112.5 | L162 Q166 I191 D197 L198 D199 E200 Q203 | L162-Y195 HydrophobicContact CD1-CD1 3.78Å; L162-Y195 HydrophobicContact CD1-CE1 3.64Å; L162-Y195 HydrophobicContact CD1-CG 4.37Å; L162-Y195 HydrophobicContact CD2-CD2 4.22Å; L162-Y195 HydrophobicContact CD2-CE1 4.34Å; L162-Y195 HydrophobicContact CD2-CE2 4.02Å; L162-Y195 HydrophobicContact CD2-CG 4.47Å; Q166-Y195 PolarHBondContact NE2-OH 3.05Å; I191-Y195 HydrophobicContact CG2-CD2 3.5Å; I191-Y195 HydrophobicContact CG2-CE2 3.3Å; I191-Y195 WeakPolarHBondContact O-CD2 3.23Å; I191-Y195 PolarHBondContact O-N 3Å; Y195-D197 PolarHBondContact O-N 3.19Å; Y195-L198 CarbonylContact O-C 3.56Å; Y195-L198 PolarHBondContact O-N 3.48Å; Y195-D199 PolarHBondContact O-N 3.46Å; Y195-E200 HydrophobicContact CD1-CB 4Å; Y195-E200 VanDerWaalsContact CD1-OE2 3.27Å; Y195-E200 WeakPolarHBondContact CD1-OE2 3.25Å; Y195-E200 WeakPolarHBondContact CE1-OE2 3.49Å; Y195-E200 PolarHBondContact O-N 2.97Å; Y195-Q203 HydrophobicContact CD1-CB 3.6Å; Y195-Q203 HydrophobicContact CD1-CG 4.19Å; Y195-Q203 HydrophobicContact CD2-CB 3.57Å; Y195-Q203 HydrophobicContact CE1-CB 3.8Å; Y195-Q203 HydrophobicContact CE1-CG 4.02Å; Y195-Q203 HydrophobicContact CE2-CB 3.74Å; Y195-Q203 HydrophobicContact CG-CB 3.5Å; Y195-Q203 VanDerWaalsContact CG-CB 3.5Å |
| 196 | R | 97.4 | Very high | 97.7 | Very high | 73 Ų | 73 | 33.2 Ų | 33.2 | 28% | 0.275 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59.5 | -47.6 | 174.5 | -178.2 | -167.5 | 66.3 | -174.9 | 3 | 111.2 | A192 V193 L198 D199 A204 L230 | A192-R196 WeakPolarHBondContact O-CB 3.45Å; A192-R196 PolarHBondContact O-N 3.43Å; V193-R196 PolarHBondContact O-N 3.37Å; R196-L198 PolarHBondContact O-N 3.48Å; R196-D199 PolarHBondContact O-N 2.98Å; R196-A204 HydrophobicContact CB-CB 4.2Å; R196-L230 VanDerWaalsContact CD-CD1 3.49Å; R196-L230 HydrophobicContact CG-CD1 4.3Å |
| 197 | D | 96.9 | Very high | 97.9 | Very high | 52 Ų | 52 | 31.8 Ų | 31.8 | 28% | 0.278 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -73.2 | -10.6 | -178.1 | -69.4 | 4.2 | 0 | 0 | 0 | 112.5 | F158 V193 C194 Y195 K266 | F158-D197 HydrophobicContact CD1-CB 4.18Å; F158-D197 HydrophobicContact CD2-CB 3.78Å; F158-D197 HydrophobicContact CE1-CB 4.01Å; F158-D197 WeakPolarHBondContact CE1-OD2 3.25Å; F158-D197 HydrophobicContact CE2-CB 3.6Å; F158-D197 HydrophobicContact CG-CB 4.08Å; F158-D197 HydrophobicContact CZ-CB 3.72Å; F158-D197 WeakPolarHBondContact CZ-OD2 3.31Å; V193-D197 WeakPolarHBondContact O-CB 3.41Å; V193-D197 PolarHBondContact O-N 3.39Å; C194-D197 PolarHBondContact O-N 3.43Å; Y195-D197 PolarHBondContact O-N 3.19Å; D197-K266 WeakPolarHBondContact OD2-CD 3.48Å; D197-K266 WeakPolarHBondContact OD2-CE 3.44Å; D197-K266 IonicContact OD2-NZ 2.65Å; D197-K266 PolarHBondContact OD2-NZ 2.71Å |
| 198 | L | 97.8 | Very high | 97.9 | Very high | 44 Ų | 44 | 31.8 Ų | 31.8 | 23% | 0.23 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 4.7 | 169.6 | -70.7 | 171.5 | 0 | 0 | 0 | 113.7 | F158 K159 L162 C194 Y195 R196 E200 | F158-L198 HydrophobicContact CB-CD1 3.98Å; F158-L198 HydrophobicContact CB-CD2 4.02Å; F158-L198 HydrophobicContact CB-CG 3.78Å; K159-L198 HydrophobicContact CD-CD2 4.41Å; K159-L198 HydrophobicContact CG-CD1 3.8Å; K159-L198 HydrophobicContact CG-CD2 3.69Å; K159-L198 HydrophobicContact CG-CG 4.43Å; L162-L198 HydrophobicContact CD1-CD1 3.49Å; L162-L198 VanDerWaalsContact CD1-CD1 3.49Å; C194-L198 WeakPolarHBondContact O-CB 3.43Å; C194-L198 VanDerWaalsContact O-CG 3.23Å; C194-L198 WeakPolarHBondContact O-CG 3.33Å; C194-L198 PolarHBondContact O-N 3.31Å; Y195-L198 CarbonylContact O-C 3.56Å; Y195-L198 PolarHBondContact O-N 3.48Å; R196-L198 PolarHBondContact O-N 3.48Å; L198-E200 VanDerWaalsContact C-N 3.3Å; L198-E200 HydrophobicContact CB-CG 4.49Å; L198-E200 PolarHBondContact O-N 2.8Å |
| 199 | D | 97.3 | Very high | 97.8 | Very high | 125 Ų | 125 | 36.7 Ų | 36.7 | 67% | 0.668 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 38.1 | -176.1 | -158.1 | 32.5 | 0 | 0 | 0 | 113.4 | Y195 R196 P201 | Y195-D199 PolarHBondContact O-N 3.46Å; R196-D199 PolarHBondContact O-N 2.98Å; D199-P201 WeakPolarHBondContact O-CD 3.44Å |
| 200 | E | 98.1 | Very high | 97.8 | Very high | 63 Ų | 63 | 41.3 Ų | 41.3 | 29% | 0.294 | 20% | 0.204 | S | C | . | . | trans | -110.2 | 72.2 | 174.1 | -69 | -173.7 | -158.5 | 0 | 0 | 110.5 | Y195 L198 E202 Q203 A204 | Y195-E200 HydrophobicContact CD1-CB 4Å; Y195-E200 VanDerWaalsContact CD1-OE2 3.27Å; Y195-E200 WeakPolarHBondContact CD1-OE2 3.25Å; Y195-E200 WeakPolarHBondContact CE1-OE2 3.49Å; Y195-E200 PolarHBondContact O-N 2.97Å; L198-E200 VanDerWaalsContact C-N 3.3Å; L198-E200 HydrophobicContact CB-CG 4.49Å; L198-E200 PolarHBondContact O-N 2.8Å; E200-E202 VanDerWaalsContact C-N 3.34Å; E200-E202 PolarHBondContact O-N 3.06Å; E200-Q203 HydrophobicContact CB-CB 4.41Å; E200-Q203 PolarHBondContact O-N 2.61Å; E200-Q203 PolarHBondContact OE2-NE2 2.98Å; E200-A204 WeakPolarHBondContact O-CB 3.47Å; E200-A204 PolarHBondContact O-N 2.82Å | ||
| 201 | P | 97.7 | Very high | 97.8 | Very high | 24 Ų | 24 | 41.3 Ų | 41.3 | 16% | 0.156 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.8 | -31.7 | -168.6 | 25.3 | -35.9 | 0 | 0 | 0 | 113.9 | D199 A204 F205 L234 L238 | D199-P201 WeakPolarHBondContact O-CD 3.44Å; P201-A204 PolarHBondContact O-N 3.01Å; P201-F205 VanDerWaalsContact O-CB 3.25Å; P201-F205 WeakPolarHBondContact O-CB 3.48Å; P201-F205 PolarHBondContact O-N 3.04Å; P201-L234 HydrophobicContact CB-CD2 3.81Å; P201-L238 HydrophobicContact CB-CD1 4.47Å; P201-L238 HydrophobicContact CB-CD2 3.98Å; P201-L238 HydrophobicContact CB-CG 4.27Å; P201-L238 HydrophobicContact CG-CD2 3.93Å |
| 202 | E | 98 | Very high | 97.7 | Very high | 84 Ų | 84 | 41.3 Ų | 41.3 | 39% | 0.393 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.5 | -48.4 | 178.3 | -79.3 | -68 | 171.1 | 0 | 0 | 111.9 | E200 F205 S206 L238 R240 | E200-E202 VanDerWaalsContact C-N 3.34Å; E200-E202 PolarHBondContact O-N 3.06Å; E202-F205 PolarHBondContact O-N 2.95Å; E202-S206 WeakPolarHBondContact O-CB 3.47Å; E202-S206 PolarHBondContact O-N 2.85Å; E202-L238 HydrophobicContact CG-CD1 4.48Å; E202-L238 HydrophobicContact CG-CD2 3.93Å; E202-R240 IonicContact OE1-CZ 3.93Å; E202-R240 IonicContact OE1-NE 2.71Å; E202-R240 IonicContact OE1-NH2 3.22Å; E202-R240 PolarHBondContact OE1-NH2 3.05Å; E202-R240 IonicContact OE2-CZ 2.82Å; E202-R240 IonicContact OE2-NH2 3.94Å; E202-R240 PolarHBondContact OE2-NH2 3.21Å |
| 203 | Q | 98.3 | Very high | 97.5 | Very high | 77 Ų | 77 | 45.1 Ų | 45.1 | 36% | 0.36 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.1 | -41.1 | 176.9 | -65 | 88.1 | -50 | 0 | 0 | 111.1 | Y195 E200 S206 A207 | Y195-Q203 HydrophobicContact CD1-CB 3.6Å; Y195-Q203 HydrophobicContact CD1-CG 4.19Å; Y195-Q203 HydrophobicContact CD2-CB 3.57Å; Y195-Q203 HydrophobicContact CE1-CB 3.8Å; Y195-Q203 HydrophobicContact CE1-CG 4.02Å; Y195-Q203 HydrophobicContact CE2-CB 3.74Å; Y195-Q203 HydrophobicContact CG-CB 3.5Å; Y195-Q203 VanDerWaalsContact CG-CB 3.5Å; E200-Q203 HydrophobicContact CB-CB 4.41Å; E200-Q203 PolarHBondContact O-N 2.61Å; E200-Q203 PolarHBondContact OE2-NE2 2.98Å; Q203-S206 PolarHBondContact O-N 2.85Å; Q203-A207 WeakPolarHBondContact O-CB 3.25Å; Q203-A207 PolarHBondContact O-N 2.81Å |
| 204 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -46.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R196 E200 P201 A207 A208 L234 | R196-A204 HydrophobicContact CB-CB 4.2Å; E200-A204 WeakPolarHBondContact O-CB 3.47Å; E200-A204 PolarHBondContact O-N 2.82Å; P201-A204 PolarHBondContact O-N 3.01Å; A204-A207 PolarHBondContact O-N 3.47Å; A204-A208 WeakPolarHBondContact O-CB 3.16Å; A204-A208 PolarHBondContact O-N 3.17Å; A204-L234 HydrophobicContact CB-CD1 3.6Å |
| 205 | F | 98.1 | Very high | 97.2 | Very high | 17 Ų | 17 | 46 Ų | 46 | 8% | 0.075 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.3 | -45.6 | 177.8 | -171.8 | -83.2 | 0 | 0 | 0 | 110.8 | P201 E202 A207 A208 Q209 L231 L234 L238 | P201-F205 VanDerWaalsContact O-CB 3.25Å; P201-F205 WeakPolarHBondContact O-CB 3.48Å; P201-F205 PolarHBondContact O-N 3.04Å; E202-F205 PolarHBondContact O-N 2.95Å; F205-A207 PolarHBondContact O-N 3.08Å; F205-A208 PolarHBondContact O-N 3.11Å; F205-Q209 VanDerWaalsContact O-CB 3.26Å; F205-Q209 WeakPolarHBondContact O-CB 3.09Å; F205-Q209 PolarHBondContact O-N 3.26Å; F205-L231 HydrophobicContact CD1-CD2 4.3Å; F205-L231 HydrophobicContact CD2-CD2 3.64Å; F205-L231 HydrophobicContact CE1-CD2 4.32Å; F205-L231 HydrophobicContact CE2-CB 4.39Å; F205-L231 HydrophobicContact CE2-CD2 3.67Å; F205-L231 HydrophobicContact CG-CD2 3.96Å; F205-L231 HydrophobicContact CZ-CD2 4.02Å; F205-L234 HydrophobicContact CB-CB 4.43Å; F205-L234 HydrophobicContact CB-CD1 4.2Å; F205-L234 HydrophobicContact CD2-CB 3.91Å; F205-L238 HydrophobicContact CB-CD1 3.93Å; F205-L238 HydrophobicContact CD2-CD1 4.32Å; F205-L238 HydrophobicContact CG-CD1 4.19Å |
| 206 | S | 97.9 | Very high | 97 | Very high | 54 Ų | 54 | 49.1 Ų | 49.1 | 38% | 0.378 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.3 | -47.9 | 178.1 | -170 | 0 | 0 | 0 | 0 | 112.2 | E202 Q203 Q209 Q210 | E202-S206 WeakPolarHBondContact O-CB 3.47Å; E202-S206 PolarHBondContact O-N 2.85Å; Q203-S206 PolarHBondContact O-N 2.85Å; S206-Q209 PolarHBondContact O-N 3.15Å; S206-Q210 WeakPolarHBondContact O-CG 3.32Å; S206-Q210 PolarHBondContact O-N 2.87Å |
| 207 | A | 98.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 55 Ų | 55 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I191 A192 Q203 A204 F205 Q209 Q210 A211 | I191-A207 HydrophobicContact CB-CB 4.41Å; I191-A207 HydrophobicContact CG2-CB 3.79Å; A192-A207 HydrophobicContact CB-CB 4Å; Q203-A207 WeakPolarHBondContact O-CB 3.25Å; Q203-A207 PolarHBondContact O-N 2.81Å; A204-A207 PolarHBondContact O-N 3.47Å; F205-A207 PolarHBondContact O-N 3.08Å; A207-Q209 VanDerWaalsContact C-N 3.35Å; A207-Q209 PolarHBondContact O-N 2.84Å; A207-Q210 PolarHBondContact O-N 3.04Å; A207-A211 PolarHBondContact O-N 2.92Å |
| 208 | A | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.6 | -39 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A192 A204 F205 Q210 A211 L212 L227 L230 L231 | A192-A208 HydrophobicContact CB-CB 4Å; A204-A208 WeakPolarHBondContact O-CB 3.16Å; A204-A208 PolarHBondContact O-N 3.17Å; F205-A208 PolarHBondContact O-N 3.11Å; A208-Q210 VanDerWaalsContact C-N 3.34Å; A208-Q210 PolarHBondContact O-N 3Å; A208-A211 PolarHBondContact O-N 3.26Å; A208-L212 PolarHBondContact O-N 2.99Å; A208-L227 HydrophobicContact CB-CD2 3.92Å; A208-L230 HydrophobicContact CB-CD2 4.15Å; A208-L231 HydrophobicContact CB-CD1 4.36Å; A208-L231 HydrophobicContact CB-CD2 3.67Å; A208-L231 HydrophobicContact CB-CG 3.85Å |
| 209 | Q | 96.9 | Very high | 96 | Very high | 108 Ų | 108 | 58 Ų | 58 | 51% | 0.505 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.4 | -36.7 | 176.9 | -171.2 | 179.4 | 7.5 | 0 | 0 | 111.9 | F205 S206 A207 A211 L212 P213 L231 | F205-Q209 VanDerWaalsContact O-CB 3.26Å; F205-Q209 WeakPolarHBondContact O-CB 3.09Å; F205-Q209 PolarHBondContact O-N 3.26Å; S206-Q209 PolarHBondContact O-N 3.15Å; A207-Q209 VanDerWaalsContact C-N 3.35Å; A207-Q209 PolarHBondContact O-N 2.84Å; Q209-A211 VanDerWaalsContact C-N 3.33Å; Q209-L212 PolarHBondContact O-N 3.43Å; Q209-P213 WeakPolarHBondContact O-CD 3.13Å; Q209-L231 HydrophobicContact CB-CD2 4.34Å |
| 210 | Q | 97.1 | Very high | 95.5 | Very high | 97 Ų | 97 | 54.2 Ų | 54.2 | 45% | 0.453 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.6 | -33.3 | 174.5 | -71.6 | 176.2 | 25.1 | 0 | 0 | 112.6 | L188 S206 A207 A208 | L188-Q210 HydrophobicContact CD1-CB 3.97Å; L188-Q210 HydrophobicContact CD2-CB 4.08Å; S206-Q210 WeakPolarHBondContact O-CG 3.32Å; S206-Q210 PolarHBondContact O-N 2.87Å; A207-Q210 PolarHBondContact O-N 3.04Å; A208-Q210 VanDerWaalsContact C-N 3.34Å; A208-Q210 PolarHBondContact O-N 3Å |
| 211 | A | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -74.6 | -25.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L188 A207 A208 Q209 P214 V215 L227 | L188-A211 HydrophobicContact CB-CB 3.77Å; L188-A211 HydrophobicContact CD1-CB 4.21Å; A207-A211 PolarHBondContact O-N 2.92Å; A208-A211 PolarHBondContact O-N 3.26Å; Q209-A211 VanDerWaalsContact C-N 3.33Å; A211-P214 VanDerWaalsContact O-CD 3.3Å; A211-P214 WeakPolarHBondContact O-CD 3.47Å; A211-P214 VanDerWaalsContact O-CG 3.32Å; A211-P214 WeakPolarHBondContact O-CG 3.45Å; A211-V215 WeakPolarHBondContact O-CG2 3.21Å; A211-L227 HydrophobicContact CB-CD1 3.84Å; A211-L227 HydrophobicContact CB-CD2 4.22Å |
| 212 | L | 95.8 | Very high | 94.2 | Very high | 6 Ų | 6 | 59.4 Ų | 59.4 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.5 | -42.1 | -168.2 | -172.1 | 62.4 | 0 | 0 | 0 | 115 | A208 Q209 V215 R216 L227 L228 L231 L245 | A208-L212 PolarHBondContact O-N 2.99Å; Q209-L212 PolarHBondContact O-N 3.43Å; L212-V215 WeakPolarHBondContact O-CB 3.2Å; L212-V215 PolarHBondContact O-N 3.16Å; L212-R216 HydrophobicContact CD1-CG 4.1Å; L212-R216 HydrophobicContact CG-CG 4.16Å; L212-R216 WeakPolarHBondContact O-CG 3.21Å; L212-R216 PolarHBondContact O-N 3.04Å; L212-L227 HydrophobicContact CD1-CB 4.46Å; L212-L228 HydrophobicContact CD1-CD2 4.11Å; L212-L228 HydrophobicContact CD1-CG 4.26Å; L212-L228 HydrophobicContact CD2-CD2 4.05Å; L212-L231 HydrophobicContact CD2-CD1 3.78Å; L212-L245 HydrophobicContact CD2-CD2 4.07Å |
| 213 | P | 95.6 | Very high | 93.9 | Very high | 79 Ų | 79 | 56.1 Ų | 56.1 | 51% | 0.513 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.4 | -50.8 | -179.6 | -24.7 | 32.8 | 0 | 0 | 0 | 115 | Q209 V215 R216 R217 | Q209-P213 WeakPolarHBondContact O-CD 3.13Å; P213-V215 VanDerWaalsContact C-N 3.31Å; P213-V215 PolarHBondContact O-N 3.49Å; P213-R216 PolarHBondContact O-N 3.08Å; P213-R217 WeakPolarHBondContact O-CB 3.41Å; P213-R217 PolarHBondContact O-N 3.5Å |
| 214 | P | 95.1 | Very high | 93.6 | Very high | 20 Ų | 20 | 56.4 Ų | 56.4 | 13% | 0.13 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.7 | -34.5 | 176.6 | 25.3 | -33.8 | 0 | 0 | 0 | 112.1 | S181 V185 A211 R217 Y218 | S181-P214 WeakPolarHBondContact O-CB 3.49Å; V185-P214 HydrophobicContact CG2-CB 4.07Å; V185-P214 HydrophobicContact CG2-CG 3.57Å; A211-P214 VanDerWaalsContact O-CD 3.3Å; A211-P214 WeakPolarHBondContact O-CD 3.47Å; A211-P214 VanDerWaalsContact O-CG 3.32Å; A211-P214 WeakPolarHBondContact O-CG 3.45Å; P214-R217 PolarHBondContact O-N 2.87Å; P214-Y218 HydrophobicContact CB-CD2 4.37Å; P214-Y218 WeakPolarHBondContact O-CB 3.37Å; P214-Y218 WeakPolarHBondContact O-CD2 3.43Å; P214-Y218 PolarHBondContact O-N 3.32Å |
| 215 | V | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 175.9 | 168.1 | 0 | 0 | 0 | 0 | 111.7 | V185 A211 L212 P213 G219 L220 R224 L227 | V185-V215 HydrophobicContact CB-CG2 4.33Å; V185-V215 HydrophobicContact CG1-CG2 3.44Å; V185-V215 VanDerWaalsContact CG1-CG2 3.44Å; V185-V215 HydrophobicContact CG2-CG2 3.87Å; A211-V215 WeakPolarHBondContact O-CG2 3.21Å; L212-V215 WeakPolarHBondContact O-CB 3.2Å; L212-V215 PolarHBondContact O-N 3.16Å; P213-V215 VanDerWaalsContact C-N 3.31Å; P213-V215 PolarHBondContact O-N 3.49Å; V215-G219 PolarHBondContact O-N 2.96Å; V215-L220 HydrophobicContact CB-CB 4.39Å; V215-L220 HydrophobicContact CG1-CB 4.14Å; V215-L220 HydrophobicContact CG2-CB 4.17Å; V215-L220 HydrophobicContact CG2-CD1 3.92Å; V215-L220 PolarHBondContact O-N 3.43Å; V215-R224 VanDerWaalsContact CG1-CA 3.42Å; V215-R224 HydrophobicContact CG1-CB 3.52Å; V215-R224 HydrophobicContact CG1-CG 4.01Å; V215-L227 HydrophobicContact CB-CD1 4.46Å; V215-L227 HydrophobicContact CG1-CD1 4.48Å; V215-L227 HydrophobicContact CG2-CD1 3.86Å |
| 216 | R | 93 | Very high | 93 | Very high | 103 Ų | 103 | 56.3 Ų | 56.3 | 39% | 0.389 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.9 | -47 | 175.4 | -75.9 | 176.8 | 169.4 | 157.8 | -4.8 | 111.6 | L212 P213 E248 | L212-R216 HydrophobicContact CD1-CG 4.1Å; L212-R216 HydrophobicContact CG-CG 4.16Å; L212-R216 WeakPolarHBondContact O-CG 3.21Å; L212-R216 PolarHBondContact O-N 3.04Å; P213-R216 PolarHBondContact O-N 3.08Å; R216-E248 IonicContact CZ-OE2 3.16Å; R216-E248 IonicContact NE-OE1 3.37Å; R216-E248 PolarHBondContact NE-OE1 2.92Å; R216-E248 IonicContact NE-OE2 2.92Å; R216-E248 PolarHBondContact NE-OE2 3.37Å; R216-E248 IonicContact NH2-OE2 2.65Å; R216-E248 PolarHBondContact NH2-OE2 2.89Å |
| 217 | R | 94.5 | Very high | 92.9 | Very high | 198 Ų | 198 | 53.8 Ų | 53.8 | 75% | 0.747 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -68.1 | -39.6 | -175 | -177.2 | 172.1 | -179.9 | 163 | 1.3 | 113.5 | P213 P214 | P213-R217 WeakPolarHBondContact O-CB 3.41Å; P213-R217 PolarHBondContact O-N 3.5Å; P214-R217 PolarHBondContact O-N 2.87Å |
| 218 | Y | 91.9 | Very high | 92.7 | Very high | 111 Ų | 111 | 53.5 Ų | 53.5 | 44% | 0.435 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -107.7 | 5.5 | -172.6 | -62.4 | -79.9 | 0 | 0 | 0 | 113.8 | S181 T182 P214 | S181-Y218 PolarHBondContact OG-OH 3.44Å; T182-Y218 HydrophobicContact CG2-CD2 3.96Å; T182-Y218 HydrophobicContact CG2-CG 3.98Å; P214-Y218 HydrophobicContact CB-CD2 4.37Å; P214-Y218 WeakPolarHBondContact O-CB 3.37Å; P214-Y218 WeakPolarHBondContact O-CD2 3.43Å; P214-Y218 PolarHBondContact O-N 3.32Å |
| 219 | G | 84.6 | Confident | 92.6 | Very high | 46 Ų | 46 | 56.1 Ų | 56.1 | 47% | 0.474 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 43.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V215 K221 | V215-G219 PolarHBondContact O-N 2.96Å; G219-K221 PolarHBondContact O-N 3.03Å |
| 220 | L | 87.6 | Confident | 92.5 | Very high | 46 Ų | 46 | 51.2 Ų | 51.2 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | trans | -77.9 | 72 | 175.4 | -64.9 | 176.6 | 0 | 0 | 0 | 111.2 | T182 V185 V215 P222 Y223 R224 | T182-L220 HydrophobicContact CG2-CD1 3.75Å; T182-L220 HydrophobicContact CG2-CD2 4.42Å; T182-L220 HydrophobicContact CG2-CG 4.18Å; V185-L220 HydrophobicContact CB-CD1 4.08Å; V185-L220 HydrophobicContact CG1-CD1 3.87Å; V185-L220 HydrophobicContact CG2-CD1 3.97Å; V215-L220 HydrophobicContact CB-CB 4.39Å; V215-L220 HydrophobicContact CG1-CB 4.14Å; V215-L220 HydrophobicContact CG2-CB 4.17Å; V215-L220 HydrophobicContact CG2-CD1 3.92Å; V215-L220 PolarHBondContact O-N 3.43Å; L220-P222 VanDerWaalsContact C-N 3.35Å; L220-P222 WeakPolarHBondContact O-CD 3.29Å; L220-P222 VanDerWaalsContact O-N 3.14Å; L220-Y223 HydrophobicContact CB-CD2 4.39Å; L220-Y223 PolarHBondContact O-N 3.26Å; L220-R224 PolarHBondContact O-N 3.44Å | ||
| 221 | K | 83.5 | Confident | 92.6 | Very high | 146 Ų | 146 | 46.7 Ų | 46.7 | 64% | 0.635 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -44 | -47.4 | -174.1 | -59.6 | -169.1 | 176.2 | -164.6 | 0 | 115 | G219 Y223 R224 | G219-K221 PolarHBondContact O-N 3.03Å; K221-Y223 VanDerWaalsContact C-N 3.27Å; K221-Y223 PolarHBondContact O-N 2.93Å; K221-R224 PolarHBondContact O-N 3.34Å |
| 222 | P | 85.1 | Confident | 92.5 | Very high | 51 Ų | 51 | 47 Ų | 47 | 33% | 0.331 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62 | -33.9 | -177.6 | -18.1 | 29.9 | 0 | 0 | 0 | 113.3 | L220 V268 K272 | L220-P222 VanDerWaalsContact C-N 3.35Å; L220-P222 WeakPolarHBondContact O-CD 3.29Å; L220-P222 VanDerWaalsContact O-N 3.14Å; P222-V268 HydrophobicContact CB-CG1 4.21Å; P222-V268 WeakPolarHBondContact O-CG2 3.49Å; P222-K272 HydrophobicContact CB-CD 4.04Å; P222-K272 HydrophobicContact CG-CD 4.25Å |
| 223 | Y | 91.4 | Very high | 92.6 | Very high | 15 Ų | 15 | 51 Ų | 51 | 6% | 0.059 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -86.5 | -29.5 | -179.7 | -71 | -80.1 | 0 | 0 | 0 | 111.9 | V185 A189 L220 K221 L227 L265 V268 | V185-Y223 HydrophobicContact CG1-CD1 4.2Å; V185-Y223 HydrophobicContact CG1-CD2 4.16Å; V185-Y223 HydrophobicContact CG1-CG 3.96Å; A189-Y223 HydrophobicContact CB-CD1 3.84Å; A189-Y223 HydrophobicContact CB-CE1 3.76Å; L220-Y223 HydrophobicContact CB-CD2 4.39Å; L220-Y223 PolarHBondContact O-N 3.26Å; K221-Y223 VanDerWaalsContact C-N 3.27Å; K221-Y223 PolarHBondContact O-N 2.93Å; Y223-L227 WeakPolarHBondContact O-CB 3.27Å; Y223-L227 WeakPolarHBondContact O-CD1 3.41Å; Y223-L227 WeakPolarHBondContact O-CG 3.4Å; Y223-L227 PolarHBondContact O-N 3.39Å; Y223-L265 HydrophobicContact CD1-CD1 4.3Å; Y223-V268 HydrophobicContact CD1-CG1 3.83Å; Y223-V268 HydrophobicContact CE1-CG1 3.72Å; Y223-V268 HydrophobicContact CE2-CG1 4.45Å; Y223-V268 HydrophobicContact CG-CG1 4.24Å |
| 224 | R | 91.9 | Very high | 92.6 | Very high | 83 Ų | 83 | 47.5 Ų | 47.5 | 31% | 0.313 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.5 | -57 | -172.8 | -168.4 | 178.8 | -177.4 | -173.1 | -2.2 | 112.7 | V215 L220 K221 A226 L227 L228 E248 I252 | V215-R224 VanDerWaalsContact CG1-CA 3.42Å; V215-R224 HydrophobicContact CG1-CB 3.52Å; V215-R224 HydrophobicContact CG1-CG 4.01Å; L220-R224 PolarHBondContact O-N 3.44Å; K221-R224 PolarHBondContact O-N 3.34Å; R224-A226 PolarHBondContact O-N 3.46Å; R224-L227 PolarHBondContact O-N 2.89Å; R224-L228 HydrophobicContact CG-CD1 4.11Å; R224-L228 WeakPolarHBondContact O-CB 3.32Å; R224-L228 VanDerWaalsContact O-CG 3.27Å; R224-L228 WeakPolarHBondContact O-CG 3.21Å; R224-L228 PolarHBondContact O-N 3.21Å; R224-L228 VanDerWaalsContact O-N 3.09Å; R224-E248 IonicContact CZ-OE1 2.72Å; R224-E248 VanDerWaalsContact CZ-OE1 3.22Å; R224-E248 IonicContact NE-OE1 3.57Å; R224-E248 PolarHBondContact NE-OE1 3.45Å; R224-E248 IonicContact NH2-OE1 3.47Å; R224-E248 PolarHBondContact NH2-OE1 3.23Å; R224-I252 HydrophobicContact CG-CD1 3.84Å |
| 225 | A | 90.7 | Very high | 92.7 | Very high | 11 Ų | 11 | 46.5 Ų | 46.5 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62 | -46.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L227 L228 E229 L249 I252 F262 | A225-L227 PolarHBondContact O-N 3.27Å; A225-L228 PolarHBondContact O-N 2.91Å; A225-E229 WeakPolarHBondContact O-CB 3.36Å; A225-E229 PolarHBondContact O-N 3.18Å; A225-L249 HydrophobicContact CB-CD1 4.48Å; A225-I252 HydrophobicContact CB-CG2 4.31Å; A225-F262 HydrophobicContact CB-CD1 4.29Å; A225-F262 HydrophobicContact CB-CE1 4.34Å |
| 226 | A | 93.5 | Very high | 92.9 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66 | -35.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R224 L230 L265 V268 | R224-A226 PolarHBondContact O-N 3.46Å; A226-L230 WeakPolarHBondContact O-CB 3.3Å; A226-L230 PolarHBondContact O-N 3.32Å; A226-L230 VanDerWaalsContact O-N 3.16Å; A226-L265 HydrophobicContact CB-CB 4.06Å; A226-L265 HydrophobicContact CB-CD1 3.8Å; A226-V268 HydrophobicContact CB-CG2 3.97Å |
| 227 | L | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.3 | -40.8 | 174.1 | -76.5 | 167.8 | 0 | 0 | 0 | 111.8 | A208 A211 L212 V215 Y223 R224 A225 L230 L231 L265 | A208-L227 HydrophobicContact CB-CD2 3.92Å; A211-L227 HydrophobicContact CB-CD1 3.84Å; A211-L227 HydrophobicContact CB-CD2 4.22Å; L212-L227 HydrophobicContact CD1-CB 4.46Å; V215-L227 HydrophobicContact CB-CD1 4.46Å; V215-L227 HydrophobicContact CG1-CD1 4.48Å; V215-L227 HydrophobicContact CG2-CD1 3.86Å; Y223-L227 WeakPolarHBondContact O-CB 3.27Å; Y223-L227 WeakPolarHBondContact O-CD1 3.41Å; Y223-L227 WeakPolarHBondContact O-CG 3.4Å; Y223-L227 PolarHBondContact O-N 3.39Å; R224-L227 PolarHBondContact O-N 2.89Å; A225-L227 PolarHBondContact O-N 3.27Å; L227-L230 PolarHBondContact O-N 2.8Å; L227-L231 WeakPolarHBondContact O-CB 3.37Å; L227-L231 VanDerWaalsContact O-CG 3.27Å; L227-L231 WeakPolarHBondContact O-CG 3.26Å; L227-L231 PolarHBondContact O-N 2.99Å; L227-L265 HydrophobicContact CD2-CD1 3.93Å; L227-L265 HydrophobicContact CD2-CD2 3.68Å; L227-L265 HydrophobicContact CD2-CG 4.49Å; L227-L265 HydrophobicContact CG-CD1 3.89Å; L227-L265 HydrophobicContact CG-CD2 4.47Å |
| 228 | L | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.8 | -44.9 | 177.5 | -73.4 | 168.7 | 0 | 0 | 0 | 111.2 | L212 R224 A225 L231 V232 L245 E248 L249 I252 | L212-L228 HydrophobicContact CD1-CD2 4.11Å; L212-L228 HydrophobicContact CD1-CG 4.26Å; L212-L228 HydrophobicContact CD2-CD2 4.05Å; R224-L228 HydrophobicContact CG-CD1 4.11Å; R224-L228 WeakPolarHBondContact O-CB 3.32Å; R224-L228 VanDerWaalsContact O-CG 3.27Å; R224-L228 WeakPolarHBondContact O-CG 3.21Å; R224-L228 PolarHBondContact O-N 3.21Å; R224-L228 VanDerWaalsContact O-N 3.09Å; A225-L228 PolarHBondContact O-N 2.91Å; L228-L231 PolarHBondContact O-N 2.84Å; L228-V232 VanDerWaalsContact O-CG2 3.28Å; L228-V232 WeakPolarHBondContact O-CG2 3.18Å; L228-V232 PolarHBondContact O-N 3.23Å; L228-L245 HydrophobicContact CD2-CB 4.34Å; L228-L245 HydrophobicContact CD2-CD2 3.73Å; L228-E248 HydrophobicContact CD1-CB 4.25Å; L228-E248 HydrophobicContact CD1-CG 3.72Å; L228-L249 HydrophobicContact CB-CB 4.33Å; L228-L249 HydrophobicContact CB-CD1 4.13Å; L228-I252 HydrophobicContact CD1-CD1 3.47Å; L228-I252 VanDerWaalsContact CD1-CD1 3.47Å |
| 229 | E | 94.3 | Very high | 93.3 | Very high | 54 Ų | 54 | 44.3 Ų | 44.3 | 25% | 0.252 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.3 | -50.3 | 175.1 | -171.7 | 172.3 | 146 | 0 | 0 | 111.1 | A225 L231 V232 D233 L249 R253 | A225-E229 WeakPolarHBondContact O-CB 3.36Å; A225-E229 PolarHBondContact O-N 3.18Å; E229-L231 VanDerWaalsContact C-N 3.34Å; E229-L231 PolarHBondContact O-N 2.88Å; E229-V232 PolarHBondContact O-N 3.49Å; E229-D233 PolarHBondContact O-N 3.34Å; E229-L249 HydrophobicContact CB-CD2 4.24Å; E229-R253 IonicContact OE2-NH2 2.89Å |
| 230 | L | 96 | Very high | 93.8 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.7 | -44.3 | 176.4 | 177.3 | 62.6 | 0 | 0 | 0 | 112.8 | A192 R196 A208 A226 L227 V232 D233 L234 L265 | A192-L230 HydrophobicContact CB-CD2 3.95Å; R196-L230 VanDerWaalsContact CD-CD1 3.49Å; R196-L230 HydrophobicContact CG-CD1 4.3Å; A208-L230 HydrophobicContact CB-CD2 4.15Å; A226-L230 WeakPolarHBondContact O-CB 3.3Å; A226-L230 PolarHBondContact O-N 3.32Å; A226-L230 VanDerWaalsContact O-N 3.16Å; L227-L230 PolarHBondContact O-N 2.8Å; L230-V232 VanDerWaalsContact C-N 3.34Å; L230-D233 PolarHBondContact O-N 3.44Å; L230-L234 HydrophobicContact CD1-CD1 3.72Å; L230-L234 HydrophobicContact CD1-CG 3.87Å; L230-L234 HydrophobicContact CD2-CD1 4.36Å; L230-L234 HydrophobicContact CG-CD1 3.79Å; L230-L234 HydrophobicContact CG-CG 4.31Å; L230-L234 WeakPolarHBondContact O-CB 3.23Å; L230-L234 VanDerWaalsContact O-CG 3.29Å; L230-L234 WeakPolarHBondContact O-CG 3.33Å; L230-L234 PolarHBondContact O-N 3.31Å; L230-L265 HydrophobicContact CB-CD2 4.5Å; L230-L265 HydrophobicContact CD2-CD2 3.38Å |
| 231 | L | 97.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.8 | -32.6 | -179 | -75.3 | 166.8 | 0 | 0 | 0 | 112.6 | F205 A208 Q209 L212 L227 L228 E229 G235 L245 | F205-L231 HydrophobicContact CD1-CD2 4.3Å; F205-L231 HydrophobicContact CD2-CD2 3.64Å; F205-L231 HydrophobicContact CE1-CD2 4.32Å; F205-L231 HydrophobicContact CE2-CB 4.39Å; F205-L231 HydrophobicContact CE2-CD2 3.67Å; F205-L231 HydrophobicContact CG-CD2 3.96Å; F205-L231 HydrophobicContact CZ-CD2 4.02Å; A208-L231 HydrophobicContact CB-CD1 4.36Å; A208-L231 HydrophobicContact CB-CD2 3.67Å; A208-L231 HydrophobicContact CB-CG 3.85Å; Q209-L231 HydrophobicContact CB-CD2 4.34Å; L212-L231 HydrophobicContact CD2-CD1 3.78Å; L227-L231 WeakPolarHBondContact O-CB 3.37Å; L227-L231 VanDerWaalsContact O-CG 3.27Å; L227-L231 WeakPolarHBondContact O-CG 3.26Å; L227-L231 PolarHBondContact O-N 2.99Å; L228-L231 PolarHBondContact O-N 2.84Å; E229-L231 VanDerWaalsContact C-N 3.34Å; E229-L231 PolarHBondContact O-N 2.88Å; L231-G235 WeakPolarHBondContact O-CA 3.4Å; L231-G235 PolarHBondContact O-N 2.8Å; L231-L245 HydrophobicContact CB-CD1 3.86Å |
| 232 | V | 96.8 | Very high | 94.7 | Very high | 8 Ų | 8 | 44 Ų | 44 | 5% | 0.048 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66 | -49.1 | 173.6 | 168.6 | 0 | 0 | 0 | 0 | 109.9 | L228 E229 L230 G235 Y236 V242 L245 Q246 | L228-V232 VanDerWaalsContact O-CG2 3.28Å; L228-V232 WeakPolarHBondContact O-CG2 3.18Å; L228-V232 PolarHBondContact O-N 3.23Å; E229-V232 PolarHBondContact O-N 3.49Å; L230-V232 VanDerWaalsContact C-N 3.34Å; V232-G235 PolarHBondContact O-N 3.48Å; V232-Y236 HydrophobicContact CG1-CD2 3.84Å; V232-Y236 HydrophobicContact CG1-CE2 3.57Å; V232-Y236 VanDerWaalsContact O-CD2 3.25Å; V232-Y236 WeakPolarHBondContact O-CD2 3.4Å; V232-Y236 PolarHBondContact O-N 3.02Å; V232-V242 HydrophobicContact CG2-CB 4.47Å; V232-L245 HydrophobicContact CG2-CB 3.74Å; V232-Q246 HydrophobicContact CB-CG 4.36Å; V232-Q246 HydrophobicContact CG1-CG 3.72Å; V232-Q246 HydrophobicContact CG2-CG 3.61Å |
| 233 | D | 96.3 | Very high | 95.2 | Very high | 90 Ų | 90 | 44.4 Ų | 44.4 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.2 | -50.8 | -179.5 | -66.7 | -17.1 | 0 | 0 | 0 | 111.7 | E229 L230 G235 Y236 Q237 | E229-D233 PolarHBondContact O-N 3.34Å; L230-D233 PolarHBondContact O-N 3.44Å; D233-G235 VanDerWaalsContact C-N 3.3Å; D233-G235 PolarHBondContact O-N 2.85Å; D233-Y236 PolarHBondContact O-N 2.8Å; D233-Q237 PolarHBondContact O-N 3.08Å; D233-Q237 VanDerWaalsContact O-N 3.08Å |
| 234 | L | 97.2 | Very high | 95.3 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65 | -36.1 | 176.6 | -69 | 177.1 | 0 | 0 | 0 | 111.8 | P201 A204 F205 L230 Y236 Q237 L238 | P201-L234 HydrophobicContact CB-CD2 3.81Å; A204-L234 HydrophobicContact CB-CD1 3.6Å; F205-L234 HydrophobicContact CB-CB 4.43Å; F205-L234 HydrophobicContact CB-CD1 4.2Å; F205-L234 HydrophobicContact CD2-CB 3.91Å; L230-L234 HydrophobicContact CD1-CD1 3.72Å; L230-L234 HydrophobicContact CD1-CG 3.87Å; L230-L234 HydrophobicContact CD2-CD1 4.36Å; L230-L234 HydrophobicContact CG-CD1 3.79Å; L230-L234 HydrophobicContact CG-CG 4.31Å; L230-L234 WeakPolarHBondContact O-CB 3.23Å; L230-L234 VanDerWaalsContact O-CG 3.29Å; L230-L234 WeakPolarHBondContact O-CG 3.33Å; L230-L234 PolarHBondContact O-N 3.31Å; L234-Y236 VanDerWaalsContact C-N 3.34Å; L234-Y236 PolarHBondContact O-N 3.19Å; L234-Q237 PolarHBondContact O-N 3.46Å; L234-L238 WeakPolarHBondContact O-CB 3.33Å; L234-L238 VanDerWaalsContact O-CG 3.23Å; L234-L238 WeakPolarHBondContact O-CG 3.23Å; L234-L238 PolarHBondContact O-N 2.8Å |
| 235 | G | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L231 V232 D233 L238 G239 R240 | L231-G235 WeakPolarHBondContact O-CA 3.4Å; L231-G235 PolarHBondContact O-N 2.8Å; V232-G235 PolarHBondContact O-N 3.48Å; D233-G235 VanDerWaalsContact C-N 3.3Å; D233-G235 PolarHBondContact O-N 2.85Å; G235-L238 CarbonylContact O-C 3.5Å; G235-L238 PolarHBondContact O-N 2.77Å; G235-G239 PolarHBondContact O-N 3.29Å; G235-R240 PolarHBondContact O-N 2.87Å |
| 236 | Y | 97.1 | Very high | 95.6 | Very high | 138 Ų | 138 | 51 Ų | 51 | 54% | 0.541 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 171.5 | -77.5 | -53.9 | 0 | 0 | 0 | 112.6 | V232 D233 L234 L238 G239 V242 Q246 | V232-Y236 HydrophobicContact CG1-CD2 3.84Å; V232-Y236 HydrophobicContact CG1-CE2 3.57Å; V232-Y236 VanDerWaalsContact O-CD2 3.25Å; V232-Y236 WeakPolarHBondContact O-CD2 3.4Å; V232-Y236 PolarHBondContact O-N 3.02Å; D233-Y236 PolarHBondContact O-N 2.8Å; L234-Y236 VanDerWaalsContact C-N 3.34Å; L234-Y236 PolarHBondContact O-N 3.19Å; Y236-L238 PolarHBondContact O-N 3.36Å; Y236-G239 PolarHBondContact O-N 2.78Å; Y236-V242 HydrophobicContact CD1-CG2 4.07Å; Y236-V242 HydrophobicContact CD2-CG2 4.41Å; Y236-V242 HydrophobicContact CE1-CG2 3.64Å; Y236-V242 HydrophobicContact CE2-CG2 4.05Å; Y236-V242 HydrophobicContact CG-CG2 4.44Å; Y236-Q246 VanDerWaalsContact CE2-NE2 3.3Å; Y236-Q246 VanDerWaalsContact CZ-NE2 3.3Å; Y236-Q246 VanDerWaalsContact OH-CD 3.27Å; Y236-Q246 PolarHBondContact OH-NE2 3.09Å; Y236-Q246 PolarHBondContact OH-OE1 3.2Å; Y236-Q246 VanDerWaalsContact OH-OE1 3.14Å |
| 237 | Q | 96.5 | Very high | 95.7 | Very high | 114 Ų | 114 | 55.5 Ų | 55.5 | 53% | 0.533 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.8 | -37.3 | 177.2 | -173.4 | 179.8 | 1.4 | 0 | 0 | 112.2 | D233 L234 | D233-Q237 PolarHBondContact O-N 3.08Å; D233-Q237 VanDerWaalsContact O-N 3.08Å; L234-Q237 PolarHBondContact O-N 3.46Å |
| 238 | L | 97.3 | Very high | 95.5 | Very high | 42 Ų | 42 | 56.8 Ų | 56.8 | 22% | 0.22 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -1.5 | -179.1 | -64 | 174.7 | 0 | 0 | 0 | 113.9 | P201 E202 F205 L234 G235 Y236 R240 | P201-L238 HydrophobicContact CB-CD1 4.47Å; P201-L238 HydrophobicContact CB-CD2 3.98Å; P201-L238 HydrophobicContact CB-CG 4.27Å; P201-L238 HydrophobicContact CG-CD2 3.93Å; E202-L238 HydrophobicContact CG-CD1 4.48Å; E202-L238 HydrophobicContact CG-CD2 3.93Å; F205-L238 HydrophobicContact CB-CD1 3.93Å; F205-L238 HydrophobicContact CD2-CD1 4.32Å; F205-L238 HydrophobicContact CG-CD1 4.19Å; L234-L238 WeakPolarHBondContact O-CB 3.33Å; L234-L238 VanDerWaalsContact O-CG 3.23Å; L234-L238 WeakPolarHBondContact O-CG 3.23Å; L234-L238 PolarHBondContact O-N 2.8Å; G235-L238 CarbonylContact O-C 3.5Å; G235-L238 PolarHBondContact O-N 2.77Å; Y236-L238 PolarHBondContact O-N 3.36Å; L238-R240 VanDerWaalsContact C-N 3.33Å; L238-R240 HydrophobicContact CB-CG 3.95Å; L238-R240 PolarHBondContact O-N 2.86Å |
| 239 | G | 95.9 | Very high | 95.3 | Very high | 72 Ų | 72 | 57.1 Ų | 57.1 | 74% | 0.742 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 29.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G235 Y236 | G235-G239 PolarHBondContact O-N 3.29Å; Y236-G239 PolarHBondContact O-N 2.78Å |
| 240 | R | 94.9 | Very high | 95 | Very high | 91 Ų | 91 | 57.4 Ų | 57.4 | 34% | 0.343 | 31% | 0.314 | S | S | . | . | trans | -93.5 | 153 | -178.7 | -65.1 | -177.9 | -178.5 | -142.8 | -3 | 111.8 | E202 G235 L238 V242 | E202-R240 IonicContact OE1-CZ 3.93Å; E202-R240 IonicContact OE1-NE 2.71Å; E202-R240 IonicContact OE1-NH2 3.22Å; E202-R240 PolarHBondContact OE1-NH2 3.05Å; E202-R240 IonicContact OE2-CZ 2.82Å; E202-R240 IonicContact OE2-NH2 3.94Å; E202-R240 PolarHBondContact OE2-NH2 3.21Å; G235-R240 PolarHBondContact O-N 2.87Å; L238-R240 VanDerWaalsContact C-N 3.33Å; L238-R240 HydrophobicContact CB-CG 3.95Å; L238-R240 PolarHBondContact O-N 2.86Å; R240-V242 PolarHBondContact O-N 3.24Å | ||
| 241 | P | 93.9 | Very high | 94.7 | Very high | 131 Ų | 131 | 62.5 Ų | 62.5 | 85% | 0.851 | 34% | 0.341 | S | S | * | . | trans | -68.5 | 118.9 | 177.1 | 27.5 | -33.7 | 0 | 0 | 0 | 111 | ||||
| 242 | V | 95.6 | Very high | 94.2 | Very high | 9 Ų | 9 | 63.4 Ų | 63.4 | 6% | 0.055 | 35% | 0.346 | C | S | . | . | trans | -113.2 | -3.7 | -177.5 | -66.7 | 0 | 0 | 0 | 0 | 114.4 | V232 Y236 R240 Q244 L245 Q246 | V232-V242 HydrophobicContact CG2-CB 4.47Å; Y236-V242 HydrophobicContact CD1-CG2 4.07Å; Y236-V242 HydrophobicContact CD2-CG2 4.41Å; Y236-V242 HydrophobicContact CE1-CG2 3.64Å; Y236-V242 HydrophobicContact CE2-CG2 4.05Å; Y236-V242 HydrophobicContact CG-CG2 4.44Å; R240-V242 PolarHBondContact O-N 3.24Å; V242-Q244 VanDerWaalsContact C-N 3.35Å; V242-Q244 PolarHBondContact O-N 3.23Å; V242-L245 HydrophobicContact CG1-CD1 4.5Å; V242-L245 WeakPolarHBondContact O-CA 3.32Å; V242-L245 WeakPolarHBondContact O-CB 3.18Å; V242-L245 PolarHBondContact O-N 2.83Å; V242-Q246 HydrophobicContact CB-CG 4.32Å; V242-Q246 HydrophobicContact CG2-CG 4.18Å; V242-Q246 WeakPolarHBondContact O-CG 3.21Å; V242-Q246 PolarHBondContact O-N 2.89Å | ||
| 243 | A | 95.3 | Very high | 93.5 | Very high | 59 Ų | 59 | 68.3 Ų | 68.3 | 49% | 0.488 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -49.3 | -50.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L245 Q246 D247 | A243-L245 VanDerWaalsContact C-N 3.3Å; A243-L245 PolarHBondContact O-N 3.25Å; A243-Q246 WeakPolarHBondContact O-CB 3.37Å; A243-Q246 PolarHBondContact O-N 2.93Å; A243-Q246 VanDerWaalsContact O-N 3.12Å; A243-D247 PolarHBondContact O-N 3.06Å |
| 244 | Q | 94.5 | Very high | 92.8 | Very high | 165 Ų | 165 | 69.5 Ų | 69.5 | 77% | 0.771 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.6 | -34.8 | 178.8 | -65.6 | -180 | -3.5 | 0 | 0 | 113.6 | V242 E248 | V242-Q244 VanDerWaalsContact C-N 3.35Å; V242-Q244 PolarHBondContact O-N 3.23Å; Q244-E248 WeakPolarHBondContact O-CB 3.46Å; Q244-E248 PolarHBondContact O-N 2.95Å; Q244-E248 VanDerWaalsContact O-N 3.16Å |
| 245 | L | 94.2 | Very high | 91.8 | Very high | 24 Ų | 24 | 72.2 Ų | 72.2 | 13% | 0.126 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -71.5 | -36.1 | 177.7 | -59.9 | 171.9 | 0 | 0 | 0 | 110.7 | L212 L228 L231 V232 V242 A243 L249 | L212-L245 HydrophobicContact CD2-CD2 4.07Å; L228-L245 HydrophobicContact CD2-CB 4.34Å; L228-L245 HydrophobicContact CD2-CD2 3.73Å; L231-L245 HydrophobicContact CB-CD1 3.86Å; V232-L245 HydrophobicContact CG2-CB 3.74Å; V242-L245 HydrophobicContact CG1-CD1 4.5Å; V242-L245 WeakPolarHBondContact O-CA 3.32Å; V242-L245 WeakPolarHBondContact O-CB 3.18Å; V242-L245 PolarHBondContact O-N 2.83Å; A243-L245 VanDerWaalsContact C-N 3.3Å; A243-L245 PolarHBondContact O-N 3.25Å; L245-L249 VanDerWaalsContact O-CB 3.31Å; L245-L249 WeakPolarHBondContact O-CB 3.48Å; L245-L249 PolarHBondContact O-N 3.44Å |
| 246 | Q | 94.2 | Very high | 90.6 | Very high | 58 Ų | 58 | 74.8 Ų | 74.8 | 27% | 0.271 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70.7 | -42 | 177 | -65.8 | -171.4 | -62.3 | 0 | 0 | 112.5 | V232 Y236 V242 A243 E248 L249 T250 | V232-Q246 HydrophobicContact CB-CG 4.36Å; V232-Q246 HydrophobicContact CG1-CG 3.72Å; V232-Q246 HydrophobicContact CG2-CG 3.61Å; Y236-Q246 VanDerWaalsContact CE2-NE2 3.3Å; Y236-Q246 VanDerWaalsContact CZ-NE2 3.3Å; Y236-Q246 VanDerWaalsContact OH-CD 3.27Å; Y236-Q246 PolarHBondContact OH-NE2 3.09Å; Y236-Q246 PolarHBondContact OH-OE1 3.2Å; Y236-Q246 VanDerWaalsContact OH-OE1 3.14Å; V242-Q246 HydrophobicContact CB-CG 4.32Å; V242-Q246 HydrophobicContact CG2-CG 4.18Å; V242-Q246 WeakPolarHBondContact O-CG 3.21Å; V242-Q246 PolarHBondContact O-N 2.89Å; A243-Q246 WeakPolarHBondContact O-CB 3.37Å; A243-Q246 PolarHBondContact O-N 2.93Å; A243-Q246 VanDerWaalsContact O-N 3.12Å; Q246-E248 VanDerWaalsContact C-N 3.34Å; Q246-L249 PolarHBondContact O-N 3.27Å; Q246-T250 WeakPolarHBondContact O-CB 3.35Å; Q246-T250 PolarHBondContact O-N 3.38Å; Q246-T250 PolarHBondContact O-OG1 3.24Å |
| 247 | D | 94.2 | Very high | 88.7 | Confident | 100 Ų | 100 | 79.5 Ų | 79.5 | 54% | 0.535 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.4 | -49 | 175.2 | -64.7 | -23.5 | 0 | 0 | 0 | 109.4 | A243 L249 T250 D251 | A243-D247 PolarHBondContact O-N 3.06Å; D247-L249 PolarHBondContact O-N 3.22Å; D247-T250 WeakPolarHBondContact O-CB 3.26Å; D247-T250 PolarHBondContact O-N 2.98Å; D247-T250 VanDerWaalsContact O-N 3.14Å; D247-D251 PolarHBondContact O-N 2.95Å |
| 248 | E | 92.2 | Very high | 86.7 | Confident | 27 Ų | 27 | 77.4 Ų | 77.4 | 13% | 0.126 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.5 | -42 | 177.1 | -173.2 | -178.6 | 172.2 | 0 | 0 | 112.6 | R216 R224 L228 Q244 Q246 T250 D251 I252 | R216-E248 IonicContact CZ-OE2 3.16Å; R216-E248 IonicContact NE-OE1 3.37Å; R216-E248 PolarHBondContact NE-OE1 2.92Å; R216-E248 IonicContact NE-OE2 2.92Å; R216-E248 PolarHBondContact NE-OE2 3.37Å; R216-E248 IonicContact NH2-OE2 2.65Å; R216-E248 PolarHBondContact NH2-OE2 2.89Å; R224-E248 IonicContact CZ-OE1 2.72Å; R224-E248 VanDerWaalsContact CZ-OE1 3.22Å; R224-E248 IonicContact NE-OE1 3.57Å; R224-E248 PolarHBondContact NE-OE1 3.45Å; R224-E248 IonicContact NH2-OE1 3.47Å; R224-E248 PolarHBondContact NH2-OE1 3.23Å; L228-E248 HydrophobicContact CD1-CB 4.25Å; L228-E248 HydrophobicContact CD1-CG 3.72Å; Q244-E248 WeakPolarHBondContact O-CB 3.46Å; Q244-E248 PolarHBondContact O-N 2.95Å; Q244-E248 VanDerWaalsContact O-N 3.16Å; Q246-E248 VanDerWaalsContact C-N 3.34Å; E248-T250 VanDerWaalsContact C-N 3.3Å; E248-T250 PolarHBondContact O-N 3.03Å; E248-D251 PolarHBondContact O-N 3.25Å; E248-I252 HydrophobicContact CG-CD1 4.22Å; E248-I252 VanDerWaalsContact O-CG1 3.28Å; E248-I252 WeakPolarHBondContact O-CG1 3.49Å; E248-I252 PolarHBondContact O-N 3.01Å |
| 249 | L | 90.4 | Very high | 84.6 | Confident | 7 Ų | 7 | 84 Ų | 84 | 4% | 0.037 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 176.6 | -176.4 | 60.3 | 0 | 0 | 0 | 111.5 | A225 L228 E229 L245 Q246 D247 I252 R253 | A225-L249 HydrophobicContact CB-CD1 4.48Å; L228-L249 HydrophobicContact CB-CB 4.33Å; L228-L249 HydrophobicContact CB-CD1 4.13Å; E229-L249 HydrophobicContact CB-CD2 4.24Å; L245-L249 VanDerWaalsContact O-CB 3.31Å; L245-L249 WeakPolarHBondContact O-CB 3.48Å; L245-L249 PolarHBondContact O-N 3.44Å; Q246-L249 PolarHBondContact O-N 3.27Å; D247-L249 PolarHBondContact O-N 3.22Å; L249-I252 PolarHBondContact O-N 2.84Å; L249-R253 WeakPolarHBondContact O-CB 3.27Å; L249-R253 VanDerWaalsContact O-CG 3.22Å; L249-R253 WeakPolarHBondContact O-CG 3.25Å; L249-R253 PolarHBondContact O-N 2.87Å |
| 250 | T | 89.6 | Confident | 82.6 | Confident | 60 Ų | 60 | 83.2 Ų | 83.2 | 37% | 0.368 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.4 | -41.1 | 178 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | Q246 D247 E248 I252 R253 N254 | Q246-T250 WeakPolarHBondContact O-CB 3.35Å; Q246-T250 PolarHBondContact O-N 3.38Å; Q246-T250 PolarHBondContact O-OG1 3.24Å; D247-T250 WeakPolarHBondContact O-CB 3.26Å; D247-T250 PolarHBondContact O-N 2.98Å; D247-T250 VanDerWaalsContact O-N 3.14Å; E248-T250 VanDerWaalsContact C-N 3.3Å; E248-T250 PolarHBondContact O-N 3.03Å; T250-I252 PolarHBondContact O-N 3.44Å; T250-R253 WeakPolarHBondContact O-CB 3.49Å; T250-R253 PolarHBondContact O-N 3.4Å; T250-N254 WeakPolarHBondContact O-CB 3.38Å; T250-N254 PolarHBondContact O-N 3.45Å; T250-N254 PolarHBondContact O-ND2 3.43Å |
| 251 | D | 89.5 | Confident | 80.6 | Confident | 112 Ų | 112 | 83.6 Ų | 83.6 | 60% | 0.599 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.8 | -42.4 | 174.7 | -73 | -20.2 | 0 | 0 | 0 | 112 | D247 E248 N254 G255 | D247-D251 PolarHBondContact O-N 2.95Å; E248-D251 PolarHBondContact O-N 3.25Å; D251-N254 PolarHBondContact O-N 3.22Å; D251-G255 PolarHBondContact O-N 3.06Å |
| 252 | I | 86.3 | Confident | 79.1 | Confident | 21 Ų | 21 | 81.2 Ų | 81.2 | 11% | 0.108 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.4 | -45 | 175 | -67.2 | 165 | 0 | 0 | 0 | 110.3 | R224 A225 L228 E248 L249 T250 N254 G255 E256 | R224-I252 HydrophobicContact CG-CD1 3.84Å; A225-I252 HydrophobicContact CB-CG2 4.31Å; L228-I252 HydrophobicContact CD1-CD1 3.47Å; L228-I252 VanDerWaalsContact CD1-CD1 3.47Å; E248-I252 HydrophobicContact CG-CD1 4.22Å; E248-I252 VanDerWaalsContact O-CG1 3.28Å; E248-I252 WeakPolarHBondContact O-CG1 3.49Å; E248-I252 PolarHBondContact O-N 3.01Å; L249-I252 PolarHBondContact O-N 2.84Å; T250-I252 PolarHBondContact O-N 3.44Å; I252-N254 PolarHBondContact O-N 3Å; I252-G255 PolarHBondContact O-N 3.33Å; I252-E256 WeakPolarHBondContact O-CG 3.28Å; I252-E256 PolarHBondContact O-N 3.47Å |
| 253 | R | 81.1 | Confident | 78.4 | Confident | 111 Ų | 111 | 85.8 Ų | 85.8 | 42% | 0.419 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 177.7 | -74.8 | 168.1 | 175.4 | -175 | 0.3 | 112.3 | E229 L249 T250 F262 | E229-R253 IonicContact OE2-NH2 2.89Å; L249-R253 WeakPolarHBondContact O-CB 3.27Å; L249-R253 VanDerWaalsContact O-CG 3.22Å; L249-R253 WeakPolarHBondContact O-CG 3.25Å; L249-R253 PolarHBondContact O-N 2.87Å; T250-R253 WeakPolarHBondContact O-CB 3.49Å; T250-R253 PolarHBondContact O-N 3.4Å; R253-F262 HydrophobicContact CB-CZ 4.39Å; R253-F262 HydrophobicContact CG-CE1 3.97Å; R253-F262 HydrophobicContact CG-CE2 4.4Å; R253-F262 HydrophobicContact CG-CZ 3.62Å |
| 254 | N | 82.1 | Confident | 78.1 | Confident | 115 Ų | 115 | 84.6 Ų | 84.6 | 62% | 0.615 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -73.2 | -37.1 | -178.8 | -69 | -22.1 | 0 | 0 | 0 | 112.5 | T250 D251 I252 E256 | T250-N254 WeakPolarHBondContact O-CB 3.38Å; T250-N254 PolarHBondContact O-N 3.45Å; T250-N254 PolarHBondContact O-ND2 3.43Å; D251-N254 PolarHBondContact O-N 3.22Å; I252-N254 PolarHBondContact O-N 3Å; N254-E256 VanDerWaalsContact C-N 3.32Å; N254-E256 PolarHBondContact O-N 3.46Å |
| 255 | G | 76.5 | Confident | 78 | Confident | 61 Ų | 61 | 76.9 Ų | 76.9 | 63% | 0.629 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -68.2 | -27.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D251 I252 | D251-G255 PolarHBondContact O-N 3.06Å; I252-G255 PolarHBondContact O-N 3.33Å |
| 256 | E | 70.6 | Confident | 77.9 | Confident | 53 Ų | 53 | 78.6 Ų | 78.6 | 25% | 0.248 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 12.5 | -170.3 | -63.6 | -173.8 | 148.7 | 0 | 0 | 114.3 | I252 N254 G258 E259 V260 | I252-E256 WeakPolarHBondContact O-CG 3.28Å; I252-E256 PolarHBondContact O-N 3.47Å; N254-E256 VanDerWaalsContact C-N 3.32Å; N254-E256 PolarHBondContact O-N 3.46Å; E256-G258 PolarHBondContact O-N 2.74Å; E256-E259 PolarHBondContact O-N 2.85Å; E256-V260 HydrophobicContact CB-CG2 4.15Å; E256-V260 VanDerWaalsContact OE2-CG2 3.26Å; E256-V260 WeakPolarHBondContact OE2-CG2 3.46Å |
| 257 | R | 58.5 | Low | 77.8 | Confident | 237 Ų | 237 | 79.8 Ų | 79.8 | 89% | 0.894 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 41.6 | 31.9 | 169.7 | -59.7 | -170.5 | -168.3 | -151.7 | 3 | 116.2 | ||
| 258 | G | 53.8 | Low | 77.6 | Confident | 70 Ų | 70 | 75.3 Ų | 75.3 | 72% | 0.722 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 10.7 | 177 | 0 | 0 | 0 | 0 | 0 | 116.4 | E256 V260 | E256-G258 PolarHBondContact O-N 2.74Å; G258-V260 VanDerWaalsContact C-N 3.34Å |
| 259 | E | 53.2 | Low | 77.7 | Confident | 180 Ų | 180 | 74 Ų | 74 | 84% | 0.841 | 39% | 0.389 | S | S | * | . | trans | -80.7 | -10.4 | 179.3 | -71.3 | -173.4 | 163.5 | 0 | 0 | 114.1 | E256 | E256-E259 PolarHBondContact O-N 2.85Š| ||
| 260 | V | 53.6 | Low | 77.7 | Confident | 57 Ų | 57 | 75.6 Ų | 75.6 | 35% | 0.345 | 40% | 0.398 | S | S | . | . | trans | -99.4 | 113.6 | -175.8 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | E256 G258 F262 | E256-V260 HydrophobicContact CB-CG2 4.15Å; E256-V260 VanDerWaalsContact OE2-CG2 3.26Å; E256-V260 WeakPolarHBondContact OE2-CG2 3.46Å; G258-V260 VanDerWaalsContact C-N 3.34Å; V260-F262 HydrophobicContact CB-CZ 4.48Å; V260-F262 HydrophobicContact CG1-CD1 4.41Å; V260-F262 HydrophobicContact CG1-CE1 4.46Å; V260-F262 WeakPolarHBondContact O-CD2 3.34Å; V260-F262 PolarHBondContact O-N 3.14Å | ||
| 261 | C | 53 | Low | 77.5 | Confident | 98 Ų | 98 | 78.4 Ų | 78.4 | 66% | 0.662 | 41% | 0.406 | S | S | * | . | trans | -61.5 | 101.3 | 155.5 | 177.6 | 0 | 0 | 0 | 0 | 107.2 | R263 | C261-R263 VanDerWaalsContact C-N 3.31Å; C261-R263 PolarHBondContact O-N 3.47Å | ||
| 262 | F | 62.9 | Low | 77 | Confident | 81 Ų | 81 | 78 Ų | 78 | 36% | 0.355 | 40% | 0.399 | S | S | . | . | trans | -65.4 | 95.6 | 175.5 | -67.2 | -80 | 0 | 0 | 0 | 108.1 | A225 R253 V260 | A225-F262 HydrophobicContact CB-CD1 4.29Å; A225-F262 HydrophobicContact CB-CE1 4.34Å; R253-F262 HydrophobicContact CB-CZ 4.39Å; R253-F262 HydrophobicContact CG-CE1 3.97Å; R253-F262 HydrophobicContact CG-CE2 4.4Å; R253-F262 HydrophobicContact CG-CZ 3.62Å; V260-F262 HydrophobicContact CB-CZ 4.48Å; V260-F262 HydrophobicContact CG1-CD1 4.41Å; V260-F262 HydrophobicContact CG1-CE1 4.46Å; V260-F262 WeakPolarHBondContact O-CD2 3.34Å; V260-F262 PolarHBondContact O-N 3.14Å | ||
| 263 | R | 80.3 | Confident | 76.2 | Confident | 106 Ų | 106 | 77.2 Ų | 77.2 | 40% | 0.4 | 40% | 0.395 | S | S | . | . | trans | -76.5 | 130.8 | 172.6 | -69.2 | -170.9 | -174.9 | -176.1 | -0.1 | 107.8 | C261 E267 V268 H271 | C261-R263 VanDerWaalsContact C-N 3.31Å; C261-R263 PolarHBondContact O-N 3.47Å; R263-E267 VanDerWaalsContact CA-OE2 3.27Å; R263-E267 WeakPolarHBondContact CA-OE2 3.26Å; R263-E267 HydrophobicContact CB-CB 3.78Å; R263-E267 WeakPolarHBondContact CB-OE2 3.48Å; R263-E267 HydrophobicContact CG-CB 4.29Å; R263-E267 WeakPolarHBondContact CG-OE2 3.22Å; R263-V268 HydrophobicContact CB-CG2 3.8Å; R263-H271 PolarHBondContact NH1-CD2 3.28Å | ||
| 264 | S | 89.9 | Confident | 75.3 | Confident | 33 Ų | 33 | 78.8 Ų | 78.8 | 23% | 0.231 | 41% | 0.41 | C | S | . | . | trans | -53.9 | 154.4 | 169 | 65.6 | 0 | 0 | 0 | 0 | 110.1 | K266 E267 V268 | S264-K266 PolarHBondContact O-N 3.32Å; S264-E267 PolarHBondContact N-OE1 2.69Å; S264-E267 WeakPolarHBondContact O-CB 3.4Å; S264-E267 PolarHBondContact O-N 2.89Å; S264-E267 WeakPolarHBondContact OG-CG 3.4Å; S264-E267 PolarHBondContact OG-N 3.4Å; S264-E267 PolarHBondContact OG-OE1 2.88Å; S264-V268 PolarHBondContact O-N 3.12Å | ||
| 265 | L | 91.4 | Very high | 75 | Confident | 3 Ų | 3 | 77 Ų | 77 | 2% | 0.016 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -54.8 | -33.1 | 178 | -170.6 | 66.9 | 0 | 0 | 0 | 112 | A189 A192 V193 Y223 A226 L227 L230 V268 V269 | A189-L265 HydrophobicContact CB-CD1 4.09Å; A189-L265 HydrophobicContact CB-CD2 4.45Å; A189-L265 HydrophobicContact CB-CG 4.47Å; A192-L265 HydrophobicContact CB-CD2 4.27Å; V193-L265 HydrophobicContact CG2-CB 4.07Å; V193-L265 HydrophobicContact CG2-CD2 3.91Å; V193-L265 HydrophobicContact CG2-CG 3.79Å; Y223-L265 HydrophobicContact CD1-CD1 4.3Å; A226-L265 HydrophobicContact CB-CB 4.06Å; A226-L265 HydrophobicContact CB-CD1 3.8Å; L227-L265 HydrophobicContact CD2-CD1 3.93Å; L227-L265 HydrophobicContact CD2-CD2 3.68Å; L227-L265 HydrophobicContact CD2-CG 4.49Å; L227-L265 HydrophobicContact CG-CD1 3.89Å; L227-L265 HydrophobicContact CG-CD2 4.47Å; L230-L265 HydrophobicContact CB-CD2 4.5Å; L230-L265 HydrophobicContact CD2-CD2 3.38Å; L265-V268 PolarHBondContact O-N 2.96Å; L265-V269 WeakPolarHBondContact O-CB 3.32Å; L265-V269 VanDerWaalsContact O-CG2 3.27Å; L265-V269 WeakPolarHBondContact O-CG2 3.31Å; L265-V269 PolarHBondContact O-N 3.3Å |
| 266 | K | 92.4 | Very high | 74.9 | Confident | 61 Ų | 61 | 77.8 Ų | 77.8 | 27% | 0.265 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 174.5 | -176.9 | 167.1 | -177.6 | 170.4 | 0 | 112.4 | V193 D197 S264 V269 I270 | V193-K266 HydrophobicContact CG1-CB 3.84Å; V193-K266 HydrophobicContact CG1-CD 4.13Å; V193-K266 HydrophobicContact CG1-CG 3.85Å; V193-K266 HydrophobicContact CG2-CB 4.27Å; D197-K266 WeakPolarHBondContact OD2-CD 3.48Å; D197-K266 WeakPolarHBondContact OD2-CE 3.44Å; D197-K266 IonicContact OD2-NZ 2.65Å; D197-K266 PolarHBondContact OD2-NZ 2.71Å; S264-K266 PolarHBondContact O-N 3.32Å; K266-V269 PolarHBondContact O-N 2.96Å; K266-I270 HydrophobicContact CG-CD1 3.82Å; K266-I270 WeakPolarHBondContact O-CB 3.28Å; K266-I270 WeakPolarHBondContact O-CG1 3.41Å; K266-I270 PolarHBondContact O-N 3.41Å |
| 267 | E | 91.6 | Very high | 75.1 | Confident | 82 Ų | 82 | 79.2 Ų | 79.2 | 38% | 0.383 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 174.1 | -75.9 | 157.8 | -122.4 | 0 | 0 | 112.2 | R263 S264 V269 I270 H271 | R263-E267 VanDerWaalsContact CA-OE2 3.27Å; R263-E267 WeakPolarHBondContact CA-OE2 3.26Å; R263-E267 HydrophobicContact CB-CB 3.78Å; R263-E267 WeakPolarHBondContact CB-OE2 3.48Å; R263-E267 HydrophobicContact CG-CB 4.29Å; R263-E267 WeakPolarHBondContact CG-OE2 3.22Å; S264-E267 PolarHBondContact N-OE1 2.69Å; S264-E267 WeakPolarHBondContact O-CB 3.4Å; S264-E267 PolarHBondContact O-N 2.89Å; S264-E267 WeakPolarHBondContact OG-CG 3.4Å; S264-E267 PolarHBondContact OG-N 3.4Å; S264-E267 PolarHBondContact OG-OE1 2.88Å; E267-V269 VanDerWaalsContact C-N 3.33Å; E267-V269 PolarHBondContact O-N 3.14Å; E267-I270 PolarHBondContact O-N 2.92Å; E267-H271 WeakPolarHBondContact O-CB 3.45Å; E267-H271 PolarHBondContact O-CD2 2.9Å; E267-H271 PolarHBondContact O-N 3.16Å |
| 268 | V | 91.7 | Very high | 76.1 | Confident | 7 Ų | 7 | 69.9 Ų | 69.9 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59 | -47.4 | 176.7 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | P222 Y223 A226 R263 S264 L265 H271 K272 | P222-V268 HydrophobicContact CB-CG1 4.21Å; P222-V268 WeakPolarHBondContact O-CG2 3.49Å; Y223-V268 HydrophobicContact CD1-CG1 3.83Å; Y223-V268 HydrophobicContact CE1-CG1 3.72Å; Y223-V268 HydrophobicContact CE2-CG1 4.45Å; Y223-V268 HydrophobicContact CG-CG1 4.24Å; A226-V268 HydrophobicContact CB-CG2 3.97Å; R263-V268 HydrophobicContact CB-CG2 3.8Å; S264-V268 PolarHBondContact O-N 3.12Å; L265-V268 PolarHBondContact O-N 2.96Å; V268-H271 PolarHBondContact O-N 3.37Å; V268-K272 HydrophobicContact CG1-CD 4.47Å; V268-K272 WeakPolarHBondContact O-CB 3.47Å; V268-K272 PolarHBondContact O-N 2.88Å |
| 269 | V | 92.5 | Very high | 77.5 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 176.3 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | L153 A189 A190 V193 L265 K266 E267 H271 K272 F273 | L153-V269 HydrophobicContact CD1-CG1 3.67Å; A189-V269 HydrophobicContact CB-CG2 3.94Å; A190-V269 HydrophobicContact CB-CG1 3.68Å; A190-V269 HydrophobicContact CB-CG2 4.33Å; V193-V269 HydrophobicContact CG2-CG2 4.12Å; L265-V269 WeakPolarHBondContact O-CB 3.32Å; L265-V269 VanDerWaalsContact O-CG2 3.27Å; L265-V269 WeakPolarHBondContact O-CG2 3.31Å; L265-V269 PolarHBondContact O-N 3.3Å; K266-V269 PolarHBondContact O-N 2.96Å; E267-V269 VanDerWaalsContact C-N 3.33Å; E267-V269 PolarHBondContact O-N 3.14Å; V269-H271 PolarHBondContact O-N 3.19Å; V269-H271 VanDerWaalsContact O-N 3.12Å; V269-K272 PolarHBondContact O-N 2.9Å; V269-F273 HydrophobicContact CG1-CB 3.96Å; V269-F273 HydrophobicContact CG1-CD2 4.39Å; V269-F273 HydrophobicContact CG1-CG 4.09Å; V269-F273 WeakPolarHBondContact O-CB 3.48Å; V269-F273 PolarHBondContact O-N 2.65Å |
| 270 | I | 90.5 | Very high | 79.1 | Confident | 40 Ų | 40 | 62.6 Ų | 62.6 | 21% | 0.205 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61 | -26.6 | 179.6 | -70.1 | 167.2 | 0 | 0 | 0 | 112.5 | H150 L153 K266 E267 | H150-I270 PolarHBondContact CE1-O 3.33Å; L153-I270 HydrophobicContact CD2-CD1 4.2Å; L153-I270 HydrophobicContact CD2-CG1 3.69Å; K266-I270 HydrophobicContact CG-CD1 3.82Å; K266-I270 WeakPolarHBondContact O-CB 3.28Å; K266-I270 WeakPolarHBondContact O-CG1 3.41Å; K266-I270 PolarHBondContact O-N 3.41Å; E267-I270 PolarHBondContact O-N 2.92Å |
| 271 | H | 85.8 | Confident | 81 | Confident | 118 Ų | 118 | 63 Ų | 63 | 55% | 0.546 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -96.1 | -22.3 | 179.6 | -75.5 | -65.2 | 0 | 0 | 0 | 115.2 | R263 E267 V268 V269 | R263-H271 PolarHBondContact NH1-CD2 3.28Å; E267-H271 WeakPolarHBondContact O-CB 3.45Å; E267-H271 PolarHBondContact O-CD2 2.9Å; E267-H271 PolarHBondContact O-N 3.16Å; V268-H271 PolarHBondContact O-N 3.37Å; V269-H271 PolarHBondContact O-N 3.19Å; V269-H271 VanDerWaalsContact O-N 3.12Å |
| 272 | K | 78.9 | Confident | 83.1 | Confident | 103 Ų | 103 | 60.3 Ų | 60.3 | 45% | 0.448 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -126.3 | 3.4 | -168.4 | -61 | -158.8 | 172.4 | -153.6 | 0 | 115.4 | P222 V268 V269 | P222-K272 HydrophobicContact CB-CD 4.04Å; P222-K272 HydrophobicContact CG-CD 4.25Å; V268-K272 HydrophobicContact CG1-CD 4.47Å; V268-K272 WeakPolarHBondContact O-CB 3.47Å; V268-K272 PolarHBondContact O-N 2.88Å; V269-K272 PolarHBondContact O-N 2.9Å |
| 273 | F | 70.3 | Confident | 84.8 | Confident | 6 Ų | 6 | 58.6 Ų | 58.6 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | trans | -84.9 | -5.4 | -172.3 | -175.1 | -107.2 | 0 | 0 | 0 | 114.6 | Q146 A149 H150 L165 P186 A190 V269 | Q146-F273 HydrophobicContact CB-CE1 4.47Å; Q146-F273 HydrophobicContact CB-CZ 4.44Å; Q146-F273 HydrophobicContact CG-CZ 4.3Å; Q146-F273 WeakPolarHBondContact O-CE1 3.46Å; A149-F273 HydrophobicContact CB-CE1 3.96Å; A149-F273 HydrophobicContact CB-CZ 4.39Å; H150-F273 HydrophobicContact CB-CD1 3.84Å; H150-F273 HydrophobicContact CB-CE1 4.24Å; H150-F273 AromaticContact ND1-CD1 3.67Å; L165-F273 HydrophobicContact CD2-CE1 3.85Å; L165-F273 HydrophobicContact CD2-CE2 3.73Å; L165-F273 HydrophobicContact CD2-CZ 3.11Å; P186-F273 HydrophobicContact CB-CD2 3.98Å; P186-F273 HydrophobicContact CB-CE2 4.3Å; P186-F273 WeakPolarHBondContact O-CD2 3.49Å; P186-F273 WeakPolarHBondContact O-CE2 3.41Å; A190-F273 HydrophobicContact CB-CD2 3.83Å; A190-F273 HydrophobicContact CB-CE2 3.68Å; A190-F273 HydrophobicContact CB-CG 4.44Å; A190-F273 HydrophobicContact CB-CZ 4.16Å; V269-F273 HydrophobicContact CG1-CB 3.96Å; V269-F273 HydrophobicContact CG1-CD2 4.39Å; V269-F273 HydrophobicContact CG1-CG 4.09Å; V269-F273 WeakPolarHBondContact O-CB 3.48Å; V269-F273 PolarHBondContact O-N 2.65Å | ||
| 274 | I | 62.1 | Low | 85.2 | Confident | 144 Ų | 144 | 54.3 Ų | 54.3 | 74% | 0.738 | 26% | 0.264 | S | S | * | . | trans | -110.4 | 0 | 172.5 | -58.8 | 177 | 0 | 0 | 0 | 109.3 | K147 H150 | K147-I274 HydrophobicContact CG-CG2 4.47Å; H150-I274 HydrophobicContact CB-CD1 4.03Å; H150-I274 HydrophobicContact CB-CG1 4.04Å; H150-I274 WeakPolarHBondContact CD2-CD1 3.41Å |
Retrieved 274 of 274 residues in 550.3 ms
(Link to these results)