| 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 | 38.2 | Very low | 51 | Low | 246 Ų | 246 | 173.8 Ų | 173.8 | 100% | 1.212 | 88% | 0.883 | S | S | * | * | 0 | 115 | 0 | -74.1 | 168.9 | 82 | 0 | 0 | 106.6 | |||||
| 2 | A | 39 | Very low | 52.2 | Low | 101 Ų | 101 | 171.5 Ų | 171.5 | 84% | 0.835 | 87% | 0.872 | S | S | * | * | trans | -97.7 | 116.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 3 | E | 42.5 | Very low | 53.5 | Low | 193 Ų | 193 | 172.2 Ų | 172.2 | 90% | 0.902 | 87% | 0.866 | S | S | * | * | trans | -79 | 122.5 | 171 | -72.8 | 178.2 | 152.6 | 0 | 0 | 108.7 | ||||
| 4 | Q | 44.8 | Very low | 55.1 | Low | 192 Ų | 192 | 172.2 Ų | 172.2 | 90% | 0.897 | 87% | 0.868 | S | S | * | * | trans | -88.5 | 109.3 | 172.6 | -74.2 | 179.5 | -31.3 | 0 | 0 | 108.9 | S6 | Q4-S6 PolarHBondContact O-N 3.45Š| ||
| 5 | E | 49.5 | Very low | 56.8 | Low | 190 Ų | 190 | 164.8 Ų | 164.8 | 89% | 0.888 | 84% | 0.835 | S | S | * | * | trans | -73.1 | 117.4 | 162.3 | -74 | -175.9 | 150.1 | 0 | 0 | 109.1 | E7 | E5-E7 PolarHBondContact O-N 3.03Š| ||
| 6 | S | 51.5 | Low | 58.7 | Low | 113 Ų | 113 | 160 Ų | 160 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | -75.9 | 108.2 | 176.7 | 58.5 | 0 | 0 | 0 | 0 | 110.9 | Q4 V8 | Q4-S6 PolarHBondContact O-N 3.45Å; S6-V8 PolarHBondContact O-N 3.29Å | ||
| 7 | E | 57.3 | Low | 60.2 | Low | 185 Ų | 185 | 157.9 Ų | 157.9 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -63.1 | 118.3 | 173.2 | -70.8 | -173 | 151 | 0 | 0 | 111.8 | E5 K9 | E5-E7 PolarHBondContact O-N 3.03Å; E7-K9 PolarHBondContact O-N 3.29Å | ||
| 8 | V | 56.8 | Low | 61.7 | Low | 133 Ų | 133 | 155.7 Ų | 155.7 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | trans | -68.4 | 101.3 | 171.9 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | S6 R10 | S6-V8 PolarHBondContact O-N 3.29Å; V8-R10 PolarHBondContact O-N 3.17Å | ||
| 9 | K | 60.1 | Low | 63 | Low | 195 Ų | 195 | 151.3 Ų | 151.3 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | -58.8 | 106.2 | 172.9 | -84.3 | 179.3 | 176.9 | 173.5 | 0 | 110.5 | E7 V11 | E7-K9 PolarHBondContact O-N 3.29Å; K9-V11 PolarHBondContact O-N 3Å; K9-V11 VanDerWaalsContact O-N 3.17Å | ||
| 10 | R | 59.3 | Low | 64.1 | Low | 232 Ų | 232 | 148.3 Ų | 148.3 | 88% | 0.875 | 76% | 0.758 | S | S | * | * | trans | -66.2 | 110.9 | 173.5 | -66.1 | -178.7 | -172.9 | -179.7 | 2.8 | 109.6 | V8 I12 | V8-R10 PolarHBondContact O-N 3.17Å; R10-I12 PolarHBondContact O-N 3.2Å; R10-I12 VanDerWaalsContact O-N 3.08Å | ||
| 11 | V | 62 | Low | 65.2 | Low | 132 Ų | 132 | 146.7 Ų | 146.7 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | trans | -68.2 | 104.7 | 173.8 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | K9 K13 | K9-V11 PolarHBondContact O-N 3Å; K9-V11 VanDerWaalsContact O-N 3.17Å; V11-K13 PolarHBondContact O-N 3.08Å | ||
| 12 | I | 65.2 | Low | 67.7 | Low | 146 Ų | 146 | 142.4 Ų | 142.4 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | trans | -75.5 | 105.3 | 173.4 | -55.6 | 172.9 | 0 | 0 | 0 | 107.2 | R10 L14 | R10-I12 PolarHBondContact O-N 3.2Å; R10-I12 VanDerWaalsContact O-N 3.08Å; I12-L14 PolarHBondContact O-N 3.14Å; I12-L14 VanDerWaalsContact O-N 3.14Å | ||
| 13 | K | 69.9 | Low | 70.1 | Confident | 181 Ų | 181 | 144 Ų | 144 | 79% | 0.787 | 71% | 0.705 | S | S | * | * | trans | -61.8 | 115.9 | 172.8 | -70.4 | -178 | 178.8 | -179.4 | 0 | 108.8 | V11 V15 | V11-K13 PolarHBondContact O-N 3.08Å; K13-V15 PolarHBondContact O-N 3.12Å; K13-V15 VanDerWaalsContact O-N 3.12Å | ||
| 14 | L | 75.8 | Confident | 72.5 | Confident | 172 Ų | 172 | 142.6 Ų | 142.6 | 90% | 0.901 | 70% | 0.696 | S | S | * | * | trans | -64.7 | 111.9 | 174.5 | -96.4 | 84 | 0 | 0 | 0 | 109.2 | I12 | I12-L14 PolarHBondContact O-N 3.14Å; I12-L14 VanDerWaalsContact O-N 3.14Å | ||
| 15 | V | 80.6 | Confident | 74.7 | Confident | 61 Ų | 61 | 135.9 Ų | 135.9 | 37% | 0.37 | 67% | 0.673 | S | S | . | * | trans | -95.1 | 131.4 | 175.5 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | K13 E17 L19 L20 | K13-V15 PolarHBondContact O-N 3.12Å; K13-V15 VanDerWaalsContact O-N 3.12Å; V15-E17 PolarHBondContact O-N 3.36Å; V15-L19 HydrophobicContact CG1-CB 4.17Å; V15-L19 HydrophobicContact CG1-CD2 3.82Å; V15-L19 HydrophobicContact CG1-CG 4.44Å; V15-L20 HydrophobicContact CB-CD2 4.34Å; V15-L20 HydrophobicContact CB-CG 4.37Å; V15-L20 HydrophobicContact CG1-CD2 3.96Å; V15-L20 HydrophobicContact CG1-CG 3.97Å | ||
| 16 | P | 87.3 | Confident | 76.8 | Confident | 88 Ų | 88 | 134 Ų | 134 | 57% | 0.571 | 66% | 0.659 | S | S | * | * | trans | -56.4 | 134.6 | 176.7 | -25.5 | 33.6 | 0 | 0 | 0 | 112.2 | N18 L19 L20 | P16-N18 PolarHBondContact O-N 2.94Å; P16-L19 WeakPolarHBondContact O-CB 3.48Å; P16-L19 PolarHBondContact O-N 3.18Å; P16-L20 PolarHBondContact O-N 3.41Å | ||
| 17 | E | 84.1 | Confident | 78.8 | Confident | 124 Ų | 124 | 134.9 Ų | 134.9 | 58% | 0.579 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -57.3 | -36.8 | -175.6 | -163 | -168.9 | 158.8 | 0 | 0 | 112.5 | V15 L19 L20 K21 | V15-E17 PolarHBondContact O-N 3.36Å; E17-L19 VanDerWaalsContact C-N 3.26Å; E17-L19 PolarHBondContact O-N 2.96Å; E17-L20 PolarHBondContact O-N 3.31Å; E17-L20 VanDerWaalsContact O-N 3.17Å; E17-K21 WeakPolarHBondContact O-CG 2.96Å; E17-K21 PolarHBondContact O-N 2.67Å; E17-K21 WeakPolarHBondContact OE1-CE 3.37Å; E17-K21 IonicContact OE1-NZ 3.61Å; E17-K21 PolarHBondContact OE1-NZ 3.17Å; E17-K21 IonicContact OE2-NZ 3.56Å |
| 18 | N | 86.7 | Confident | 80.5 | Confident | 118 Ų | 118 | 128.7 Ų | 128.7 | 63% | 0.631 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -60.6 | -34 | 176.6 | -74.4 | -26.5 | 0 | 0 | 0 | 112.8 | P16 K22 | P16-N18 PolarHBondContact O-N 2.94Å; N18-K22 WeakPolarHBondContact O-CB 3.3Å; N18-K22 WeakPolarHBondContact O-CG 3.35Å; N18-K22 PolarHBondContact O-N 2.97Å |
| 19 | L | 86.8 | Confident | 82.3 | Confident | 73 Ų | 73 | 127.2 Ų | 127.2 | 38% | 0.382 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -72.8 | -38.9 | 177.3 | -167.8 | 69.5 | 0 | 0 | 0 | 111.1 | V15 P16 E17 K22 R23 | V15-L19 HydrophobicContact CG1-CB 4.17Å; V15-L19 HydrophobicContact CG1-CD2 3.82Å; V15-L19 HydrophobicContact CG1-CG 4.44Å; P16-L19 WeakPolarHBondContact O-CB 3.48Å; P16-L19 PolarHBondContact O-N 3.18Å; E17-L19 VanDerWaalsContact C-N 3.26Å; E17-L19 PolarHBondContact O-N 2.96Å; L19-K22 PolarHBondContact O-N 3.44Å; L19-R23 VanDerWaalsContact O-CG 3.3Å; L19-R23 WeakPolarHBondContact O-CG 3.47Å; L19-R23 PolarHBondContact O-N 3.06Å |
| 20 | L | 84.1 | Confident | 83.9 | Confident | 90 Ų | 90 | 124 Ų | 124 | 47% | 0.471 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.1 | -43.2 | 175.6 | -64.3 | 174.7 | 0 | 0 | 0 | 111.5 | V15 P16 E17 R23 K24 | V15-L20 HydrophobicContact CB-CD2 4.34Å; V15-L20 HydrophobicContact CB-CG 4.37Å; V15-L20 HydrophobicContact CG1-CD2 3.96Å; V15-L20 HydrophobicContact CG1-CG 3.97Å; P16-L20 PolarHBondContact O-N 3.41Å; E17-L20 PolarHBondContact O-N 3.31Å; E17-L20 VanDerWaalsContact O-N 3.17Å; L20-R23 PolarHBondContact O-N 3.32Å; L20-K24 WeakPolarHBondContact O-CB 3.49Å; L20-K24 PolarHBondContact O-N 2.93Å |
| 21 | K | 87.8 | Confident | 85.5 | Confident | 116 Ų | 116 | 115.1 Ų | 115.1 | 50% | 0.504 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.2 | -45.8 | 174.3 | -73.4 | 176.8 | -179.4 | 165.5 | 0 | 111.8 | E17 K24 A25 | E17-K21 WeakPolarHBondContact O-CG 2.96Å; E17-K21 PolarHBondContact O-N 2.67Å; E17-K21 WeakPolarHBondContact OE1-CE 3.37Å; E17-K21 IonicContact OE1-NZ 3.61Å; E17-K21 PolarHBondContact OE1-NZ 3.17Å; E17-K21 IonicContact OE2-NZ 3.56Å; K21-K24 PolarHBondContact O-N 3Å; K21-A25 WeakPolarHBondContact O-CB 3.48Å; K21-A25 PolarHBondContact O-N 3.37Å |
| 22 | K | 90.4 | Very high | 87.1 | Confident | 156 Ų | 156 | 113.1 Ų | 113.1 | 68% | 0.678 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.1 | -43.6 | 175.5 | -77.7 | -178.1 | 178.9 | -176.1 | 0 | 112.5 | N18 L19 A25 Y26 | N18-K22 WeakPolarHBondContact O-CB 3.3Å; N18-K22 WeakPolarHBondContact O-CG 3.35Å; N18-K22 PolarHBondContact O-N 2.97Å; L19-K22 PolarHBondContact O-N 3.44Å; K22-A25 PolarHBondContact O-N 3.41Å; K22-Y26 WeakPolarHBondContact O-CB 3.3Å; K22-Y26 PolarHBondContact O-N 2.94Å |
| 23 | R | 90.6 | Very high | 88.5 | Confident | 134 Ų | 134 | 112.4 Ų | 112.4 | 51% | 0.506 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.4 | -43.7 | 177.1 | -74.8 | 173.4 | 179.3 | 179 | 0.5 | 112 | L19 L20 Y26 Q27 | L19-R23 VanDerWaalsContact O-CG 3.3Å; L19-R23 WeakPolarHBondContact O-CG 3.47Å; L19-R23 PolarHBondContact O-N 3.06Å; L20-R23 PolarHBondContact O-N 3.32Å; R23-Y26 PolarHBondContact O-N 2.95Å; R23-Q27 WeakPolarHBondContact O-CB 3.45Å; R23-Q27 VanDerWaalsContact O-CG 3.3Å; R23-Q27 WeakPolarHBondContact O-CG 3.39Å; R23-Q27 PolarHBondContact O-N 3.42Å |
| 24 | K | 92 | Very high | 89.6 | Confident | 163 Ų | 163 | 106.6 Ų | 106.6 | 71% | 0.709 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.8 | -43.6 | 178.1 | -168.6 | 176.7 | -178 | 179.2 | 0 | 111.8 | L20 K21 Q27 A28 | L20-K24 WeakPolarHBondContact O-CB 3.49Å; L20-K24 PolarHBondContact O-N 2.93Å; K21-K24 PolarHBondContact O-N 3Å; K24-Q27 PolarHBondContact O-N 3.02Å; K24-A28 WeakPolarHBondContact O-CB 3.49Å; K24-A28 PolarHBondContact O-N 3.48Å |
| 25 | A | 91.2 | Very high | 90.4 | Very high | 51 Ų | 51 | 105.5 Ų | 105.5 | 42% | 0.421 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K21 K22 Q27 A28 I29 | K21-A25 WeakPolarHBondContact O-CB 3.48Å; K21-A25 PolarHBondContact O-N 3.37Å; K22-A25 PolarHBondContact O-N 3.41Å; A25-Q27 PolarHBondContact O-N 2.93Å; A25-A28 PolarHBondContact O-N 2.98Å; A25-I29 WeakPolarHBondContact O-CG1 3.32Å; A25-I29 PolarHBondContact O-N 3.23Å |
| 26 | Y | 93 | Very high | 90.9 | Very high | 152 Ų | 152 | 111.5 Ų | 111.5 | 60% | 0.596 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.7 | -42.5 | 178.1 | -175.6 | -100.7 | 0 | 0 | 0 | 112.5 | K22 R23 A28 I29 K30 | K22-Y26 WeakPolarHBondContact O-CB 3.3Å; K22-Y26 PolarHBondContact O-N 2.94Å; R23-Y26 PolarHBondContact O-N 2.95Å; Y26-A28 VanDerWaalsContact C-N 3.34Å; Y26-A28 PolarHBondContact O-N 2.92Å; Y26-I29 PolarHBondContact O-N 3.37Å; Y26-K30 HydrophobicContact CE1-CD 4.27Å; Y26-K30 WeakPolarHBondContact O-CB 3.38Å; Y26-K30 PolarHBondContact O-N 3.47Å |
| 27 | Q | 93 | Very high | 91.1 | Very high | 131 Ų | 131 | 109.7 Ų | 109.7 | 61% | 0.612 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.4 | -39.8 | 174.7 | -74.7 | 175.7 | -2.9 | 0 | 0 | 112.2 | R23 K24 A25 K30 A31 | R23-Q27 WeakPolarHBondContact O-CB 3.45Å; R23-Q27 VanDerWaalsContact O-CG 3.3Å; R23-Q27 WeakPolarHBondContact O-CG 3.39Å; R23-Q27 PolarHBondContact O-N 3.42Å; K24-Q27 PolarHBondContact O-N 3.02Å; A25-Q27 PolarHBondContact O-N 2.93Å; Q27-K30 PolarHBondContact O-N 3.47Å; Q27-A31 VanDerWaalsContact O-CB 3.3Å; Q27-A31 WeakPolarHBondContact O-CB 3.25Å; Q27-A31 PolarHBondContact O-N 3.48Å |
| 28 | A | 93.6 | Very high | 91.3 | Very high | 55 Ų | 55 | 108.6 Ų | 108.6 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K24 A25 Y26 A31 T32 | K24-A28 WeakPolarHBondContact O-CB 3.49Å; K24-A28 PolarHBondContact O-N 3.48Å; A25-A28 PolarHBondContact O-N 2.98Å; Y26-A28 VanDerWaalsContact C-N 3.34Å; Y26-A28 PolarHBondContact O-N 2.92Å; A28-A31 PolarHBondContact O-N 3.26Å; A28-T32 WeakPolarHBondContact O-CG2 3.37Å; A28-T32 PolarHBondContact O-N 2.97Å; A28-T32 PolarHBondContact O-OG1 3.32Å |
| 29 | I | 93.9 | Very high | 91.3 | Very high | 101 Ų | 101 | 107.8 Ų | 107.8 | 52% | 0.518 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 176.5 | -66.2 | 165 | 0 | 0 | 0 | 110.6 | A25 Y26 A31 T32 E33 | A25-I29 WeakPolarHBondContact O-CG1 3.32Å; A25-I29 PolarHBondContact O-N 3.23Å; Y26-I29 PolarHBondContact O-N 3.37Å; I29-A31 VanDerWaalsContact C-N 3.3Å; I29-A31 PolarHBondContact O-N 3.28Å; I29-T32 PolarHBondContact O-N 3.37Å; I29-T32 PolarHBondContact O-OG1 2.85Å; I29-E33 WeakPolarHBondContact O-CB 3.3Å; I29-E33 PolarHBondContact O-N 2.97Å |
| 30 | K | 95 | Very high | 91.3 | Very high | 127 Ų | 127 | 108.5 Ų | 108.5 | 55% | 0.552 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.5 | -37.4 | 178.5 | -168.7 | 169.6 | -178.4 | 172.7 | 0 | 112.1 | Y26 Q27 A34 | Y26-K30 HydrophobicContact CE1-CD 4.27Å; Y26-K30 WeakPolarHBondContact O-CB 3.38Å; Y26-K30 PolarHBondContact O-N 3.47Å; Q27-K30 PolarHBondContact O-N 3.47Å; K30-A34 VanDerWaalsContact O-CB 3.25Å; K30-A34 WeakPolarHBondContact O-CB 3.34Å; K30-A34 PolarHBondContact O-N 2.93Å |
| 31 | A | 93.1 | Very high | 91.2 | Very high | 47 Ų | 47 | 112 Ų | 112 | 39% | 0.388 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.6 | -39 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q27 A28 I29 K35 | Q27-A31 VanDerWaalsContact O-CB 3.3Å; Q27-A31 WeakPolarHBondContact O-CB 3.25Å; Q27-A31 PolarHBondContact O-N 3.48Å; A28-A31 PolarHBondContact O-N 3.26Å; I29-A31 VanDerWaalsContact C-N 3.3Å; I29-A31 PolarHBondContact O-N 3.28Å; A31-K35 WeakPolarHBondContact O-CB 3.44Å; A31-K35 VanDerWaalsContact O-CG 3.29Å; A31-K35 WeakPolarHBondContact O-CG 3.29Å; A31-K35 PolarHBondContact O-N 3Å |
| 32 | T | 94.3 | Very high | 90.8 | Very high | 89 Ų | 89 | 113.6 Ų | 113.6 | 55% | 0.546 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.5 | -40.2 | 176.4 | 54.9 | 0 | 0 | 0 | 0 | 111.4 | A28 I29 K35 R36 | A28-T32 WeakPolarHBondContact O-CG2 3.37Å; A28-T32 PolarHBondContact O-N 2.97Å; A28-T32 PolarHBondContact O-OG1 3.32Å; I29-T32 PolarHBondContact O-N 3.37Å; I29-T32 PolarHBondContact O-OG1 2.85Å; T32-K35 PolarHBondContact O-N 3.45Å; T32-R36 WeakPolarHBondContact O-CB 3.44Å; T32-R36 PolarHBondContact O-N 2.94Å |
| 33 | E | 95.2 | Very high | 90 | Very high | 132 Ų | 132 | 112.9 Ų | 112.9 | 62% | 0.617 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.1 | -45.4 | 175.2 | -169.6 | 174.3 | -164.9 | 0 | 0 | 111.6 | I29 K35 R36 A37 | I29-E33 WeakPolarHBondContact O-CB 3.3Å; I29-E33 PolarHBondContact O-N 2.97Å; E33-K35 PolarHBondContact O-N 2.84Å; E33-R36 PolarHBondContact O-N 3.4Å; E33-R36 VanDerWaalsContact O-N 3.16Å; E33-A37 WeakPolarHBondContact O-CB 3.33Å; E33-A37 PolarHBondContact O-N 2.89Å |
| 34 | A | 92.8 | Very high | 88.9 | Confident | 59 Ų | 59 | 111.8 Ų | 111.8 | 49% | 0.488 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.5 | -42.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K30 A37 L38 | K30-A34 VanDerWaalsContact O-CB 3.25Å; K30-A34 WeakPolarHBondContact O-CB 3.34Å; K30-A34 PolarHBondContact O-N 2.93Å; A34-A37 PolarHBondContact O-N 3.37Å; A34-L38 WeakPolarHBondContact O-CB 3.43Å; A34-L38 PolarHBondContact O-N 2.88Å |
| 35 | K | 93.3 | Very high | 87.5 | Confident | 148 Ų | 148 | 108.7 Ų | 108.7 | 64% | 0.643 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.5 | -43.3 | 173.8 | -77.9 | 176.3 | -178.7 | 180 | 0 | 111.6 | A31 T32 E33 L38 L39 | A31-K35 WeakPolarHBondContact O-CB 3.44Å; A31-K35 VanDerWaalsContact O-CG 3.29Å; A31-K35 WeakPolarHBondContact O-CG 3.29Å; A31-K35 PolarHBondContact O-N 3Å; T32-K35 PolarHBondContact O-N 3.45Å; E33-K35 PolarHBondContact O-N 2.84Å; K35-L38 PolarHBondContact O-N 3.44Å; K35-L39 WeakPolarHBondContact O-CG 3.36Å; K35-L39 PolarHBondContact O-N 3.42Å |
| 36 | R | 91.5 | Very high | 86 | Confident | 187 Ų | 187 | 113.9 Ų | 113.9 | 71% | 0.706 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64 | -46.3 | 177.9 | -170.8 | 177.7 | -178.8 | 173.6 | -0.2 | 111.2 | T32 E33 L38 L39 E40 | T32-R36 WeakPolarHBondContact O-CB 3.44Å; T32-R36 PolarHBondContact O-N 2.94Å; E33-R36 PolarHBondContact O-N 3.4Å; E33-R36 VanDerWaalsContact O-N 3.16Å; R36-L38 VanDerWaalsContact C-N 3.31Å; R36-L38 PolarHBondContact O-N 2.89Å; R36-L39 PolarHBondContact O-N 3.35Å; R36-E40 VanDerWaalsContact O-CG 3.31Å; R36-E40 WeakPolarHBondContact O-CG 3.31Å; R36-E40 PolarHBondContact O-N 3.16Å |
| 37 | A | 90.7 | Very high | 84.5 | Confident | 51 Ų | 51 | 109 Ų | 109 | 42% | 0.421 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.8 | -38.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E33 A34 E40 K41 | E33-A37 WeakPolarHBondContact O-CB 3.33Å; E33-A37 PolarHBondContact O-N 2.89Å; A34-A37 PolarHBondContact O-N 3.37Å; A37-E40 PolarHBondContact O-N 2.99Å; A37-K41 WeakPolarHBondContact O-CB 3.42Å; A37-K41 WeakPolarHBondContact O-CG 3.39Å; A37-K41 PolarHBondContact O-N 2.74Å |
| 38 | L | 88.9 | Confident | 82.9 | Confident | 100 Ų | 100 | 112 Ų | 112 | 52% | 0.524 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.7 | -37.8 | 177.2 | -155.9 | 152.9 | 0 | 0 | 0 | 111.8 | A34 K35 R36 R42 | A34-L38 WeakPolarHBondContact O-CB 3.43Å; A34-L38 PolarHBondContact O-N 2.88Å; K35-L38 PolarHBondContact O-N 3.44Å; R36-L38 VanDerWaalsContact C-N 3.31Å; R36-L38 PolarHBondContact O-N 2.89Å; L38-R42 HydrophobicContact CD2-CG 4.3Å; L38-R42 WeakPolarHBondContact O-CB 3.37Å; L38-R42 WeakPolarHBondContact O-CG 3.33Å; L38-R42 PolarHBondContact O-N 3.01Å |
| 39 | L | 86.4 | Confident | 81.5 | Confident | 101 Ų | 101 | 114.9 Ų | 114.9 | 53% | 0.529 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.9 | -44.1 | 172.3 | -72.6 | 171.6 | 0 | 0 | 0 | 111.9 | K35 R36 R42 K43 | K35-L39 WeakPolarHBondContact O-CG 3.36Å; K35-L39 PolarHBondContact O-N 3.42Å; R36-L39 PolarHBondContact O-N 3.35Å; L39-R42 WeakPolarHBondContact O-CB 3.25Å; L39-R42 PolarHBondContact O-N 3.29Å; L39-K43 WeakPolarHBondContact O-CG 3.45Å; L39-K43 PolarHBondContact O-N 3.23Å |
| 40 | E | 85.6 | Confident | 80 | Confident | 89 Ų | 89 | 118.3 Ų | 118.3 | 42% | 0.416 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -60.3 | -49 | 174.6 | -72.1 | -76 | 118.9 | 0 | 0 | 110.9 | R36 A37 R42 K43 V44 | R36-E40 VanDerWaalsContact O-CG 3.31Å; R36-E40 WeakPolarHBondContact O-CG 3.31Å; R36-E40 PolarHBondContact O-N 3.16Å; A37-E40 PolarHBondContact O-N 2.99Å; E40-R42 VanDerWaalsContact C-N 3.28Å; E40-R42 PolarHBondContact O-N 3.22Å; E40-K43 WeakPolarHBondContact O-CB 3.45Å; E40-K43 PolarHBondContact O-N 2.92Å; E40-K43 IonicContact OE1-NZ 2.66Å; E40-K43 PolarHBondContact OE1-NZ 2.83Å; E40-V44 WeakPolarHBondContact O-CG2 3.27Å; E40-V44 PolarHBondContact O-N 2.94Å |
| 41 | K | 82.9 | Confident | 78.6 | Confident | 162 Ų | 162 | 121.4 Ų | 121.4 | 70% | 0.704 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -58.7 | -36.6 | 173.4 | -77.9 | -173.2 | 176.8 | -174.5 | 0 | 112.7 | A37 V44 S45 | A37-K41 WeakPolarHBondContact O-CB 3.42Å; A37-K41 WeakPolarHBondContact O-CG 3.39Å; A37-K41 PolarHBondContact O-N 2.74Å; K41-V44 PolarHBondContact O-N 3.47Å; K41-S45 VanDerWaalsContact O-CB 3.25Å; K41-S45 WeakPolarHBondContact O-CB 3.48Å; K41-S45 PolarHBondContact O-N 3.3Å; K41-S45 PolarHBondContact O-OG 2.96Å |
| 42 | R | 78.7 | Confident | 77.7 | Confident | 151 Ų | 151 | 127.7 Ų | 127.7 | 57% | 0.57 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.8 | -31.2 | 174 | -84.8 | -179.2 | 160.7 | -174.2 | -3.4 | 113.2 | L38 L39 E40 K46 | L38-R42 HydrophobicContact CD2-CG 4.3Å; L38-R42 WeakPolarHBondContact O-CB 3.37Å; L38-R42 WeakPolarHBondContact O-CG 3.33Å; L38-R42 PolarHBondContact O-N 3.01Å; L39-R42 WeakPolarHBondContact O-CB 3.25Å; L39-R42 PolarHBondContact O-N 3.29Å; E40-R42 VanDerWaalsContact C-N 3.28Å; E40-R42 PolarHBondContact O-N 3.22Å; R42-K46 WeakPolarHBondContact O-CB 3.42Å; R42-K46 VanDerWaalsContact O-CG 3.27Å; R42-K46 WeakPolarHBondContact O-CG 3.41Å; R42-K46 PolarHBondContact O-N 3.11Å |
| 43 | K | 74 | Confident | 76.9 | Confident | 140 Ų | 140 | 127.8 Ų | 127.8 | 61% | 0.609 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.8 | -42.4 | 173.1 | -67.8 | 172.1 | -167.7 | 170.1 | 0 | 111 | L39 E40 | L39-K43 WeakPolarHBondContact O-CG 3.45Å; L39-K43 PolarHBondContact O-N 3.23Å; E40-K43 WeakPolarHBondContact O-CB 3.45Å; E40-K43 PolarHBondContact O-N 2.92Å; E40-K43 IonicContact OE1-NZ 2.66Å; E40-K43 PolarHBondContact OE1-NZ 2.83Å |
| 44 | V | 67.9 | Low | 76.4 | Confident | 112 Ų | 112 | 129.5 Ų | 129.5 | 68% | 0.679 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -75.8 | -44.8 | -177.5 | 177.7 | 0 | 0 | 0 | 0 | 112.4 | E40 K41 K46 G47 | E40-V44 WeakPolarHBondContact O-CG2 3.27Å; E40-V44 PolarHBondContact O-N 2.94Å; K41-V44 PolarHBondContact O-N 3.47Å; V44-K46 PolarHBondContact O-N 2.82Å; V44-G47 PolarHBondContact O-N 3.43Å |
| 45 | S | 61.8 | Low | 76.2 | Confident | 98 Ų | 98 | 132.7 Ų | 132.7 | 69% | 0.685 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65.6 | -26.5 | 176.9 | 58.6 | 0 | 0 | 0 | 0 | 113.1 | K41 G47 | K41-S45 VanDerWaalsContact O-CB 3.25Å; K41-S45 WeakPolarHBondContact O-CB 3.48Å; K41-S45 PolarHBondContact O-N 3.3Å; K41-S45 PolarHBondContact O-OG 2.96Å; S45-G47 PolarHBondContact O-N 3.08Å |
| 46 | K | 60.2 | Low | 76 | Confident | 159 Ų | 159 | 130.7 Ų | 130.7 | 69% | 0.691 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 34.8 | 168.1 | -64.7 | -177 | 179.4 | -174.8 | 0 | 111.9 | R42 V44 K48 | R42-K46 WeakPolarHBondContact O-CB 3.42Å; R42-K46 VanDerWaalsContact O-CG 3.27Å; R42-K46 WeakPolarHBondContact O-CG 3.41Å; R42-K46 PolarHBondContact O-N 3.11Å; V44-K46 PolarHBondContact O-N 2.82Å; K46-K48 PolarHBondContact O-N 3.48Å |
| 47 | G | 61.7 | Low | 75.7 | Confident | 50 Ų | 50 | 125.1 Ų | 125.1 | 52% | 0.515 | 62% | 0.62 | S | S | . | * | trans | -42.8 | 121.6 | 161 | 0 | 0 | 0 | 0 | 0 | 107.5 | V44 S45 P49 | V44-G47 PolarHBondContact O-N 3.43Å; S45-G47 PolarHBondContact O-N 3.08Å; G47-P49 VanDerWaalsContact O-CD 3.27Å; G47-P49 WeakPolarHBondContact O-CD 3.36Å | ||
| 48 | K | 60.3 | Low | 75.5 | Confident | 195 Ų | 195 | 127.9 Ų | 127.9 | 85% | 0.848 | 62% | 0.623 | S | S | * | * | trans | -55.3 | 117.1 | -175.9 | -74.7 | 172.5 | -177.3 | 168.3 | 0 | 105.6 | K46 L50 | K46-K48 PolarHBondContact O-N 3.48Å; K48-L50 PolarHBondContact O-N 2.73Å | ||
| 49 | P | 64.4 | Low | 75.6 | Confident | 115 Ų | 115 | 127.5 Ų | 127.5 | 75% | 0.747 | 62% | 0.621 | S | S | * | * | trans | -53.9 | 122.5 | 174.2 | 21.8 | -31.3 | 0 | 0 | 0 | 105.6 | G47 K51 | G47-P49 VanDerWaalsContact O-CD 3.27Å; G47-P49 WeakPolarHBondContact O-CD 3.36Å; P49-K51 VanDerWaalsContact C-N 3.31Å; P49-K51 PolarHBondContact O-N 3.01Å | ||
| 50 | L | 61.2 | Low | 75.7 | Confident | 172 Ų | 172 | 127.4 Ų | 127.4 | 90% | 0.901 | 62% | 0.616 | S | S | * | * | trans | -52.2 | 108.2 | 171.9 | -78.1 | 163.2 | 0 | 0 | 0 | 104.7 | K48 F52 | K48-L50 PolarHBondContact O-N 2.73Å; L50-F52 PolarHBondContact O-N 2.66Å | ||
| 51 | K | 66 | Low | 75.9 | Confident | 193 Ų | 193 | 125 Ų | 125 | 84% | 0.839 | 61% | 0.606 | S | S | * | * | trans | -76.2 | 77.8 | -174.5 | -171.6 | 178.5 | -179.1 | 176.8 | 0 | 106.4 | P49 K53 | P49-K51 VanDerWaalsContact C-N 3.31Å; P49-K51 PolarHBondContact O-N 3.01Å; K51-K53 PolarHBondContact O-N 2.81Å | ||
| 52 | F | 73.8 | Confident | 76.2 | Confident | 179 Ų | 179 | 120.7 Ų | 120.7 | 79% | 0.785 | 60% | 0.596 | S | S | * | * | trans | -62.3 | 106.9 | 173.3 | -171 | -99.8 | 0 | 0 | 0 | 106.6 | L50 R54 | L50-F52 PolarHBondContact O-N 2.66Å; F52-R54 PolarHBondContact O-N 2.93Å | ||
| 53 | K | 78.3 | Confident | 76.8 | Confident | 90 Ų | 90 | 118.9 Ų | 118.9 | 39% | 0.391 | 59% | 0.594 | S | S | . | * | trans | -68.9 | 126.9 | 168.6 | -80.3 | -172.3 | 175.2 | -164.7 | 0 | 106.3 | K51 F58 D61 | K51-K53 PolarHBondContact O-N 2.81Å; K53-F58 HydrophobicContact CB-CD2 3.88Å; K53-F58 HydrophobicContact CB-CE1 4.32Å; K53-F58 HydrophobicContact CB-CE2 3.23Å; K53-F58 HydrophobicContact CB-CZ 3.49Å; K53-F58 VanDerWaalsContact CB-CZ 3.49Å; K53-F58 HydrophobicContact CD-CD1 4.41Å; K53-F58 HydrophobicContact CD-CE1 3.82Å; K53-F58 HydrophobicContact CD-CE2 4.24Å; K53-F58 HydrophobicContact CD-CZ 3.74Å; K53-F58 HydrophobicContact CG-CE2 4.38Å; K53-F58 HydrophobicContact CG-CZ 4.23Å; K53-F58 VanDerWaalsContact O-CE2 3.29Å; K53-F58 WeakPolarHBondContact O-CE2 3.21Å; K53-D61 IonicContact NZ-OD2 2.82Å | ||
| 54 | R | 85.2 | Confident | 77.5 | Confident | 168 Ų | 168 | 117.4 Ų | 117.4 | 63% | 0.634 | 59% | 0.585 | S | S | * | * | trans | -64.9 | 148.7 | 174.4 | -66.1 | -177.4 | 177.8 | 179.7 | -1.4 | 109 | F52 E56 D57 F58 | F52-R54 PolarHBondContact O-N 2.93Å; R54-E56 PolarHBondContact O-N 3.03Å; R54-D57 WeakPolarHBondContact O-CB 3.45Å; R54-D57 PolarHBondContact O-N 3.48Å; R54-F58 VanDerWaalsContact O-CD2 3.3Å; R54-F58 WeakPolarHBondContact O-CD2 3.4Å; R54-F58 PolarHBondContact O-N 3.39Å | ||
| 55 | L | 87.3 | Confident | 78.6 | Confident | 126 Ų | 126 | 116.3 Ų | 116.3 | 66% | 0.66 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -52.9 | -38.3 | 174.6 | -178.1 | 60.4 | 0 | 0 | 0 | 111.5 | D57 F58 L59 | L55-D57 VanDerWaalsContact C-N 3.3Å; L55-D57 PolarHBondContact O-N 2.95Å; L55-F58 WeakPolarHBondContact O-CB 3.19Å; L55-F58 PolarHBondContact O-N 3.15Å; L55-F58 VanDerWaalsContact O-N 3.13Å; L55-L59 HydrophobicContact CG-CD1 4.37Å; L55-L59 WeakPolarHBondContact O-CG 3.4Å; L55-L59 PolarHBondContact O-N 3.39Å |
| 56 | E | 89.1 | Confident | 80 | Confident | 106 Ų | 106 | 117.4 Ų | 117.4 | 50% | 0.495 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -54.8 | -41.3 | 174 | -66.3 | 178.7 | -147.9 | 0 | 0 | 113.8 | R54 F58 L59 K60 | R54-E56 PolarHBondContact O-N 3.03Å; E56-F58 VanDerWaalsContact C-N 3.34Å; E56-L59 PolarHBondContact O-N 2.88Å; E56-K60 WeakPolarHBondContact O-CB 3.38Å; E56-K60 WeakPolarHBondContact O-CD 3.37Å; E56-K60 WeakPolarHBondContact O-CG 3.26Å; E56-K60 PolarHBondContact O-N 3.29Å; E56-K60 IonicContact OE2-NZ 3.61Å; E56-K60 PolarHBondContact OE2-NZ 3.32Å |
| 57 | D | 86.2 | Confident | 81.5 | Confident | 70 Ų | 70 | 118.4 Ų | 118.4 | 37% | 0.374 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.7 | -36.9 | -179.8 | -70.5 | -29.3 | 0 | 0 | 0 | 110.6 | R54 L55 K60 D61 | R54-D57 WeakPolarHBondContact O-CB 3.45Å; R54-D57 PolarHBondContact O-N 3.48Å; L55-D57 VanDerWaalsContact C-N 3.3Å; L55-D57 PolarHBondContact O-N 2.95Å; D57-K60 PolarHBondContact O-N 3.33Å; D57-D61 WeakPolarHBondContact O-CB 3.47Å; D57-D61 VanDerWaalsContact O-CG 3.31Å; D57-D61 PolarHBondContact O-N 3.23Å |
| 58 | F | 86.2 | Confident | 82.9 | Confident | 109 Ų | 109 | 116.4 Ų | 116.4 | 48% | 0.478 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 173.2 | -72.4 | -76.7 | 0 | 0 | 0 | 111.9 | K53 R54 L55 E56 D61 S62 | K53-F58 HydrophobicContact CB-CD2 3.88Å; K53-F58 HydrophobicContact CB-CE1 4.32Å; K53-F58 HydrophobicContact CB-CE2 3.23Å; K53-F58 HydrophobicContact CB-CZ 3.49Å; K53-F58 VanDerWaalsContact CB-CZ 3.49Å; K53-F58 HydrophobicContact CD-CD1 4.41Å; K53-F58 HydrophobicContact CD-CE1 3.82Å; K53-F58 HydrophobicContact CD-CE2 4.24Å; K53-F58 HydrophobicContact CD-CZ 3.74Å; K53-F58 HydrophobicContact CG-CE2 4.38Å; K53-F58 HydrophobicContact CG-CZ 4.23Å; K53-F58 VanDerWaalsContact O-CE2 3.29Å; K53-F58 WeakPolarHBondContact O-CE2 3.21Å; R54-F58 VanDerWaalsContact O-CD2 3.3Å; R54-F58 WeakPolarHBondContact O-CD2 3.4Å; R54-F58 PolarHBondContact O-N 3.39Å; L55-F58 WeakPolarHBondContact O-CB 3.19Å; L55-F58 PolarHBondContact O-N 3.15Å; L55-F58 VanDerWaalsContact O-N 3.13Å; E56-F58 VanDerWaalsContact C-N 3.34Å; F58-D61 PolarHBondContact O-N 2.98Å; F58-S62 WeakPolarHBondContact O-CB 2.9Å; F58-S62 PolarHBondContact O-N 3.24Å |
| 59 | L | 90.1 | Very high | 84.3 | Confident | 93 Ų | 93 | 111 Ų | 111 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 175.7 | -68.1 | 174.1 | 0 | 0 | 0 | 111 | L55 E56 D61 S62 H63 | L55-L59 HydrophobicContact CG-CD1 4.37Å; L55-L59 WeakPolarHBondContact O-CG 3.4Å; L55-L59 PolarHBondContact O-N 3.39Å; E56-L59 PolarHBondContact O-N 2.88Å; L59-D61 PolarHBondContact O-N 3.08Å; L59-S62 PolarHBondContact O-N 2.94Å; L59-H63 WeakPolarHBondContact O-CB 3.3Å; L59-H63 PolarHBondContact O-CD2 3.43Å; L59-H63 PolarHBondContact O-N 3.32Å |
| 60 | K | 89.3 | Confident | 85.7 | Confident | 98 Ų | 98 | 106.7 Ų | 106.7 | 43% | 0.426 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 176 | -74.5 | 166.1 | -170.8 | 160.4 | 0 | 112.1 | E56 D57 R64 | E56-K60 WeakPolarHBondContact O-CB 3.38Å; E56-K60 WeakPolarHBondContact O-CD 3.37Å; E56-K60 WeakPolarHBondContact O-CG 3.26Å; E56-K60 PolarHBondContact O-N 3.29Å; E56-K60 IonicContact OE2-NZ 3.61Å; E56-K60 PolarHBondContact OE2-NZ 3.32Å; D57-K60 PolarHBondContact O-N 3.33Å; K60-R64 WeakPolarHBondContact O-CG 3.27Å; K60-R64 PolarHBondContact O-N 3.04Å; K60-R64 VanDerWaalsContact O-N 3.07Å |
| 61 | D | 88.9 | Confident | 87.1 | Confident | 40 Ų | 40 | 101.6 Ų | 101.6 | 21% | 0.214 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 177.3 | -77.9 | -9.8 | 0 | 0 | 0 | 110.9 | K53 D57 F58 L59 R64 K65 G101 | K53-D61 IonicContact NZ-OD2 2.82Å; D57-D61 WeakPolarHBondContact O-CB 3.47Å; D57-D61 VanDerWaalsContact O-CG 3.31Å; D57-D61 PolarHBondContact O-N 3.23Å; F58-D61 PolarHBondContact O-N 2.98Å; L59-D61 PolarHBondContact O-N 3.08Å; D61-R64 PolarHBondContact O-N 2.78Å; D61-K65 WeakPolarHBondContact O-CB 3.48Å; D61-K65 PolarHBondContact O-N 3.04Å; D61-G101 VanDerWaalsContact OD1-CA 3.24Å; D61-G101 WeakPolarHBondContact OD1-CA 3.44Å |
| 62 | S | 90.2 | Very high | 88.3 | Confident | 71 Ų | 71 | 93.5 Ų | 93.5 | 50% | 0.497 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 176.7 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | F58 L59 R64 K65 H66 | F58-S62 WeakPolarHBondContact O-CB 2.9Å; F58-S62 PolarHBondContact O-N 3.24Å; L59-S62 PolarHBondContact O-N 2.94Å; S62-R64 PolarHBondContact O-N 2.94Å; S62-K65 WeakPolarHBondContact O-CB 3.41Å; S62-K65 PolarHBondContact O-N 2.91Å; S62-H66 PolarHBondContact O-N 2.81Å |
| 63 | H | 91.2 | Very high | 89.1 | Confident | 112 Ų | 112 | 93.2 Ų | 93.2 | 52% | 0.519 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 178.3 | -74.4 | -141.8 | 0 | 0 | 0 | 111.7 | L59 H66 R67 | L59-H63 WeakPolarHBondContact O-CB 3.3Å; L59-H63 PolarHBondContact O-CD2 3.43Å; L59-H63 PolarHBondContact O-N 3.32Å; H63-H66 PolarHBondContact O-N 3.08Å; H63-R67 WeakPolarHBondContact O-CB 3.46Å; H63-R67 VanDerWaalsContact O-CG 3.29Å; H63-R67 WeakPolarHBondContact O-CG 3.42Å; H63-R67 PolarHBondContact O-N 3.39Å |
| 64 | R | 88.5 | Confident | 89.7 | Confident | 109 Ų | 109 | 96.6 Ų | 96.6 | 41% | 0.411 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 174.3 | -79.6 | -179.3 | -137.6 | -176.4 | -0.1 | 111.6 | K60 D61 S62 H66 R67 D68 K100 G101 | K60-R64 WeakPolarHBondContact O-CG 3.27Å; K60-R64 PolarHBondContact O-N 3.04Å; K60-R64 VanDerWaalsContact O-N 3.07Å; D61-R64 PolarHBondContact O-N 2.78Å; S62-R64 PolarHBondContact O-N 2.94Å; R64-H66 VanDerWaalsContact C-N 3.34Å; R64-H66 PolarHBondContact O-N 3.22Å; R64-R67 PolarHBondContact O-N 2.77Å; R64-D68 PolarHBondContact O-N 2.73Å; R64-K100 PolarHBondContact NH1-O 2.77Å; R64-G101 WeakPolarHBondContact CB-O 3.48Å |
| 65 | K | 90.9 | Very high | 89.7 | Confident | 90 Ų | 90 | 90 Ų | 90 | 39% | 0.391 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57.4 | -47.6 | 177.5 | -179.9 | 178.6 | 174.1 | -167.6 | 0 | 111.2 | D61 S62 R67 D68 E69 | D61-K65 WeakPolarHBondContact O-CB 3.48Å; D61-K65 PolarHBondContact O-N 3.04Å; S62-K65 WeakPolarHBondContact O-CB 3.41Å; S62-K65 PolarHBondContact O-N 2.91Å; K65-R67 PolarHBondContact O-N 3.24Å; K65-D68 PolarHBondContact O-N 3.4Å; K65-E69 WeakPolarHBondContact CE-OE1 3.25Å; K65-E69 WeakPolarHBondContact CG-OE1 3.36Å; K65-E69 WeakPolarHBondContact O-CG 3.2Å; K65-E69 PolarHBondContact O-N 2.89Å |
| 66 | H | 91.8 | Very high | 89.5 | Confident | 120 Ų | 120 | 87.1 Ų | 87.1 | 56% | 0.556 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.9 | -41.6 | 178.7 | -175.2 | 72.9 | 0 | 0 | 0 | 112.9 | S62 H63 R64 E69 T70 | S62-H66 PolarHBondContact O-N 2.81Å; H63-H66 PolarHBondContact O-N 3.08Å; R64-H66 VanDerWaalsContact C-N 3.34Å; R64-H66 PolarHBondContact O-N 3.22Å; H66-E69 PolarHBondContact O-N 3.08Å; H66-T70 WeakPolarHBondContact O-CB 3.15Å; H66-T70 PolarHBondContact O-N 2.9Å; H66-T70 PolarHBondContact O-OG1 3.17Å |
| 67 | R | 90.7 | Very high | 89.4 | Confident | 181 Ų | 181 | 89.8 Ų | 89.8 | 68% | 0.683 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62 | -43.3 | 174.4 | -74.6 | 176.7 | -175.4 | 178.2 | 2 | 111.8 | H63 R64 K65 T70 R71 | H63-R67 WeakPolarHBondContact O-CB 3.46Å; H63-R67 VanDerWaalsContact O-CG 3.29Å; H63-R67 WeakPolarHBondContact O-CG 3.42Å; H63-R67 PolarHBondContact O-N 3.39Å; R64-R67 PolarHBondContact O-N 2.77Å; K65-R67 PolarHBondContact O-N 3.24Å; R67-T70 PolarHBondContact O-N 3.24Å; R67-R71 WeakPolarHBondContact O-CB 3.46Å; R67-R71 PolarHBondContact O-N 3.45Å |
| 68 | D | 90.7 | Very high | 89.3 | Confident | 8 Ų | 8 | 94.4 Ų | 94.4 | 4% | 0.043 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -63.3 | -45 | 176.9 | -97.1 | -30 | 0 | 0 | 0 | 111.8 | R64 K65 T70 R71 I72 Y140 | R64-D68 PolarHBondContact O-N 2.73Å; K65-D68 PolarHBondContact O-N 3.4Å; D68-T70 PolarHBondContact O-N 3.4Å; D68-R71 PolarHBondContact O-N 3.41Å; D68-R71 IonicContact OD1-CZ 3.56Å; D68-R71 IonicContact OD1-NE 3.28Å; D68-R71 PolarHBondContact OD1-NE 3.5Å; D68-R71 IonicContact OD1-NH2 2.94Å; D68-R71 PolarHBondContact OD1-NH2 3.12Å; D68-I72 WeakPolarHBondContact O-CB 3.32Å; D68-I72 WeakPolarHBondContact O-CG1 3.38Å; D68-I72 PolarHBondContact O-N 2.94Å; D68-Y140 PolarHBondContact OD2-OH 3.35Å |
| 69 | E | 91.5 | Very high | 89 | Confident | 80 Ų | 80 | 94.6 Ų | 94.6 | 37% | 0.374 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 177.9 | -75 | 170.5 | -175.7 | 0 | 0 | 111.8 | K65 H66 R71 I72 R73 | K65-E69 WeakPolarHBondContact CE-OE1 3.25Å; K65-E69 WeakPolarHBondContact CG-OE1 3.36Å; K65-E69 WeakPolarHBondContact O-CG 3.2Å; K65-E69 PolarHBondContact O-N 2.89Å; H66-E69 PolarHBondContact O-N 3.08Å; E69-R71 VanDerWaalsContact C-N 3.35Å; E69-R71 PolarHBondContact O-N 3.32Å; E69-I72 PolarHBondContact O-N 3.16Å; E69-R73 WeakPolarHBondContact O-CB 3.43Å; E69-R73 PolarHBondContact O-N 3.39Å |
| 70 | T | 92.4 | Very high | 88.2 | Confident | 26 Ų | 26 | 93.7 Ų | 93.7 | 16% | 0.16 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 176 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | H66 R67 D68 R73 R74 | H66-T70 WeakPolarHBondContact O-CB 3.15Å; H66-T70 PolarHBondContact O-N 2.9Å; H66-T70 PolarHBondContact O-OG1 3.17Å; R67-T70 PolarHBondContact O-N 3.24Å; D68-T70 PolarHBondContact O-N 3.4Å; T70-R73 PolarHBondContact O-N 2.9Å; T70-R74 WeakPolarHBondContact O-CB 3.13Å; T70-R74 VanDerWaalsContact O-CG 3.29Å; T70-R74 WeakPolarHBondContact O-CG 3.36Å; T70-R74 PolarHBondContact O-N 3.07Å |
| 71 | R | 91.9 | Very high | 87.3 | Confident | 64 Ų | 64 | 91.5 Ų | 91.5 | 24% | 0.242 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 175.5 | 178.8 | -173.6 | 62.2 | 87.2 | -0.9 | 111.5 | R67 D68 E69 R73 R74 A75 M136 | R67-R71 WeakPolarHBondContact O-CB 3.46Å; R67-R71 PolarHBondContact O-N 3.45Å; D68-R71 PolarHBondContact O-N 3.41Å; D68-R71 IonicContact OD1-CZ 3.56Å; D68-R71 IonicContact OD1-NE 3.28Å; D68-R71 PolarHBondContact OD1-NE 3.5Å; D68-R71 IonicContact OD1-NH2 2.94Å; D68-R71 PolarHBondContact OD1-NH2 3.12Å; E69-R71 VanDerWaalsContact C-N 3.35Å; E69-R71 PolarHBondContact O-N 3.32Å; R71-R73 VanDerWaalsContact C-N 3.35Å; R71-R74 PolarHBondContact O-N 3.35Å; R71-A75 VanDerWaalsContact O-CB 3.29Å; R71-A75 WeakPolarHBondContact O-CB 3.07Å; R71-A75 PolarHBondContact O-N 2.76Å; R71-M136 VanDerWaalsContact CZ-O 3.29Å; R71-M136 PolarHBondContact NH1-O 2.78Å; R71-M136 PolarHBondContact NH2-O 3.13Å |
| 72 | I | 89.6 | Confident | 86.7 | Confident | 24 Ų | 24 | 94 Ų | 94 | 12% | 0.123 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 178.2 | -67.9 | 166.4 | 0 | 0 | 0 | 110.1 | D68 E69 A75 G76 R105 V106 M136 | D68-I72 WeakPolarHBondContact O-CB 3.32Å; D68-I72 WeakPolarHBondContact O-CG1 3.38Å; D68-I72 PolarHBondContact O-N 2.94Å; E69-I72 PolarHBondContact O-N 3.16Å; I72-A75 PolarHBondContact O-N 3.15Å; I72-G76 PolarHBondContact O-N 3.39Å; I72-R105 HydrophobicContact CD1-CB 4.43Å; I72-V106 HydrophobicContact CD1-CG2 3.85Å; I72-M136 HydrophobicContact CD1-CG 4.15Å; I72-M136 HydrophobicContact CD1-SD 4.18Å; I72-M136 HydrophobicContact CG1-CG 4.14Å; I72-M136 HydrophobicContact CG2-CE 4.28Å |
| 73 | R | 91 | Very high | 86.1 | Confident | 172 Ų | 172 | 95.2 Ų | 95.2 | 65% | 0.649 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -58.2 | -50 | 175.5 | -170.3 | 177.8 | 74.6 | -177.2 | 3.8 | 110.9 | E69 T70 R71 A75 G76 H77 | E69-R73 WeakPolarHBondContact O-CB 3.43Å; E69-R73 PolarHBondContact O-N 3.39Å; T70-R73 PolarHBondContact O-N 2.9Å; R71-R73 VanDerWaalsContact C-N 3.35Å; R73-A75 VanDerWaalsContact C-N 3.32Å; R73-A75 PolarHBondContact O-N 2.71Å; R73-G76 PolarHBondContact O-N 3.01Å; R73-H77 PolarHBondContact O-N 3.4Å; R73-H77 PolarHBondContact O-ND1 3.32Å |
| 74 | R | 90.2 | Very high | 85.5 | Confident | 162 Ų | 162 | 91.1 Ų | 91.1 | 61% | 0.611 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60.2 | -40.7 | 176.4 | -72 | 175.3 | -177.4 | 178 | 1.9 | 112.1 | T70 R71 G76 H77 R78 | T70-R74 WeakPolarHBondContact O-CB 3.13Å; T70-R74 VanDerWaalsContact O-CG 3.29Å; T70-R74 WeakPolarHBondContact O-CG 3.36Å; T70-R74 PolarHBondContact O-N 3.07Å; R71-R74 PolarHBondContact O-N 3.35Å; R74-G76 VanDerWaalsContact C-N 3.29Å; R74-G76 PolarHBondContact O-N 3.38Å; R74-H77 PolarHBondContact O-N 2.91Å; R74-R78 PolarHBondContact O-N 3.3Å |
| 75 | A | 85.6 | Confident | 85.2 | Confident | 29 Ų | 29 | 90.1 Ų | 90.1 | 24% | 0.24 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -66.4 | -30.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | R71 I72 R73 H77 R78 | R71-A75 VanDerWaalsContact O-CB 3.29Å; R71-A75 WeakPolarHBondContact O-CB 3.07Å; R71-A75 PolarHBondContact O-N 2.76Å; I72-A75 PolarHBondContact O-N 3.15Å; R73-A75 VanDerWaalsContact C-N 3.32Å; R73-A75 PolarHBondContact O-N 2.71Å; A75-H77 VanDerWaalsContact C-N 3.35Å; A75-R78 PolarHBondContact O-N 2.86Å |
| 76 | G | 83.9 | Confident | 84.5 | Confident | 66 Ų | 66 | 90.2 Ų | 90.2 | 68% | 0.68 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -70.9 | -26.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I72 R73 R74 | I72-G76 PolarHBondContact O-N 3.39Å; R73-G76 PolarHBondContact O-N 3.01Å; R74-G76 VanDerWaalsContact C-N 3.29Å; R74-G76 PolarHBondContact O-N 3.38Å |
| 77 | H | 86.8 | Confident | 83.9 | Confident | 162 Ų | 162 | 93.5 Ų | 93.5 | 75% | 0.75 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -84.4 | -15 | 175 | -65.9 | 74.2 | 0 | 0 | 0 | 112.6 | R73 R74 A75 | R73-H77 PolarHBondContact O-N 3.4Å; R73-H77 PolarHBondContact O-ND1 3.32Å; R74-H77 PolarHBondContact O-N 2.91Å; A75-H77 VanDerWaalsContact C-N 3.35Å |
| 78 | R | 83.3 | Confident | 83.5 | Confident | 167 Ų | 167 | 86.8 Ų | 86.8 | 63% | 0.63 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -77.5 | 148.3 | 175.9 | -73.3 | 179.2 | -180 | 178.5 | -2.4 | 109.8 | R74 A75 | R74-R78 PolarHBondContact O-N 3.3Å; A75-R78 PolarHBondContact O-N 2.86Å |
| 79 | P | 80.6 | Confident | 83.6 | Confident | 112 Ų | 112 | 93 Ų | 93 | 73% | 0.727 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -55 | 149.7 | 172.5 | 23.8 | -33.3 | 0 | 0 | 0 | 110.7 | ||
| 80 | A | 73.9 | Confident | 83.7 | Confident | 75 Ų | 75 | 89.6 Ų | 89.6 | 62% | 0.62 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 139.1 | 177 | 0 | 0 | 0 | 0 | 0 | 109.4 | A82 | A80-A82 PolarHBondContact O-N 3.27Š|
| 81 | P | 70.3 | Confident | 83.9 | Confident | 51 Ų | 51 | 88.3 Ų | 88.3 | 33% | 0.331 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 138.5 | 176.7 | 26.6 | -32.8 | 0 | 0 | 0 | 109.4 | M83 K135 | P81-M83 PolarHBondContact O-N 3.47Å; P81-K135 HydrophobicContact CG-CD 4.22Å |
| 82 | A | 76.1 | Confident | 84.1 | Confident | 92 Ų | 92 | 85.3 Ų | 85.3 | 76% | 0.76 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 134.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | A80 | A80-A82 PolarHBondContact O-N 3.27Š|
| 83 | M | 77.5 | Confident | 84.4 | Confident | 98 Ų | 98 | 84.1 Ų | 84.1 | 48% | 0.483 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -65 | 136.7 | 175.7 | -73.3 | -64.8 | -66.9 | 0 | 0 | 108.3 | P81 V126 K128 M131 | P81-M83 PolarHBondContact O-N 3.47Å; M83-V126 HydrophobicContact CE-CG1 4.14Å; M83-K128 HydrophobicContact SD-CG 4.37Å; M83-M131 HydrophobicContact SD-CG 4.35Å |
| 84 | P | 79 | Confident | 84.6 | Confident | 26 Ų | 26 | 76 Ų | 76 | 17% | 0.169 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 157.4 | 174.1 | 28.5 | -34.4 | 0 | 0 | 0 | 109.9 | N88 V126 F145 | P84-N88 HydrophobicContact CB-CB 4.18Å; P84-V126 HydrophobicContact CG-CG1 3.63Å; P84-F145 HydrophobicContact CB-CE1 4.06Å; P84-F145 HydrophobicContact CB-CE2 4.13Å; P84-F145 HydrophobicContact CB-CZ 3.42Å; P84-F145 VanDerWaalsContact CB-CZ 3.42Å; P84-F145 HydrophobicContact CG-CE1 4.08Å; P84-F145 HydrophobicContact CG-CZ 3.84Å |
| 85 | P | 82 | Confident | 84.8 | Confident | 87 Ų | 87 | 69.1 Ų | 69.1 | 57% | 0.565 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -54 | 149.8 | -178.8 | 22.6 | -34.1 | 0 | 0 | 0 | 110.9 | K87 N88 | P85-K87 PolarHBondContact O-N 3.38Å; P85-N88 WeakPolarHBondContact O-CB 3.25Å; P85-N88 PolarHBondContact O-N 2.87Å |
| 86 | A | 75.8 | Confident | 85.1 | Confident | 93 Ų | 93 | 68 Ų | 68 | 77% | 0.769 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -24.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N88 R89 | A86-N88 PolarHBondContact O-N 3.13Å; A86-R89 WeakPolarHBondContact O-CG 3.4Å |
| 87 | K | 78.3 | Confident | 85.3 | Confident | 188 Ų | 188 | 68.9 Ų | 68.9 | 82% | 0.817 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -28.9 | 173.2 | -170.3 | 173.1 | -178.6 | 175.5 | 0 | 113.3 | P85 R89 | P85-K87 PolarHBondContact O-N 3.38Å; K87-R89 PolarHBondContact O-N 3.4Å |
| 88 | N | 83.4 | Confident | 85.4 | Confident | 40 Ų | 40 | 66.2 Ų | 66.2 | 21% | 0.214 | 36% | 0.36 | C | S | . | . | trans | -102.3 | 65.5 | -168.8 | -70.2 | -8.3 | 0 | 0 | 0 | 111.7 | P84 P85 A86 F145 | P84-N88 HydrophobicContact CB-CB 4.18Å; P85-N88 WeakPolarHBondContact O-CB 3.25Å; P85-N88 PolarHBondContact O-N 2.87Å; A86-N88 PolarHBondContact O-N 3.13Å; N88-F145 HydrophobicContact CB-CD1 3.54Å; N88-F145 HydrophobicContact CB-CD2 4.1Å; N88-F145 HydrophobicContact CB-CE1 3.68Å; N88-F145 HydrophobicContact CB-CE2 4.22Å; N88-F145 HydrophobicContact CB-CG 3.77Å; N88-F145 HydrophobicContact CB-CZ 4.02Å; N88-F145 WeakPolarHBondContact ND2-CD2 3.49Å | ||
| 89 | R | 91.8 | Very high | 85.6 | Confident | 138 Ų | 138 | 59.7 Ų | 59.7 | 52% | 0.521 | 34% | 0.338 | S | S | . | . | trans | -82.7 | -19.7 | -178.4 | -55.3 | 177.2 | 74.7 | -162.1 | 8.2 | 113.6 | A86 K87 V126 S197 V198 | A86-R89 WeakPolarHBondContact O-CG 3.4Å; K87-R89 PolarHBondContact O-N 3.4Å; R89-V126 WeakPolarHBondContact O-CB 3.34Å; R89-V126 WeakPolarHBondContact O-CG2 3.35Å; R89-V126 PolarHBondContact O-N 3.28Å; R89-S197 PolarHBondContact NH1-O 3.44Å; R89-V198 HydrophobicContact CB-CB 4.31Å; R89-V198 HydrophobicContact CB-CG2 3.91Å | ||
| 90 | L | 94.9 | Very high | 85.9 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 5% | 0.047 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.7 | -178.3 | -179.1 | 65.5 | 0 | 0 | 0 | 110.4 | F123 F145 P146 V151 I195 V198 F202 | L90-F123 HydrophobicContact CD1-CB 4.05Å; L90-F123 HydrophobicContact CD1-CD1 4.25Å; L90-F123 HydrophobicContact CD1-CG 4.45Å; L90-F123 HydrophobicContact CD2-CD1 4.19Å; L90-F123 HydrophobicContact CG-CD1 4.45Å; L90-F145 WeakPolarHBondContact O-CD1 3.49Å; L90-P146 HydrophobicContact CD2-CG 3.78Å; L90-P146 HydrophobicContact CG-CG 4.05Å; L90-P146 WeakPolarHBondContact O-CD 3.47Å; L90-V151 HydrophobicContact CD2-CG2 4.05Å; L90-I195 HydrophobicContact CD1-CG2 4.42Å; L90-I195 HydrophobicContact CD2-CG2 3.99Å; L90-V198 HydrophobicContact CB-CG2 3.72Å; L90-V198 HydrophobicContact CD1-CG2 4.27Å; L90-F202 HydrophobicContact CD1-CE2 3.59Å; L90-F202 HydrophobicContact CD1-CZ 3.75Å |
| 91 | A | 95.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 146.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V124 V126 L134 G144 | A91-V124 HydrophobicContact CB-CB 4.46Å; A91-V124 PolarHBondContact N-O 3.05Å; A91-V124 PolarHBondContact O-N 3.03Å; A91-V126 HydrophobicContact CB-CG2 3.79Å; A91-L134 HydrophobicContact CB-CD1 4.32Å; A91-G144 CarbonylContact C-O 3.49Å; A91-G144 VanDerWaalsContact CA-O 3.25Å; A91-G144 WeakPolarHBondContact CA-O 3.42Å |
| 92 | F | 96.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.9 | 166.4 | -172.4 | -112.3 | 0 | 0 | 0 | 108.8 | V94 F123 W143 G144 P146 L154 F212 L214 I241 I245 | F92-V94 HydrophobicContact CD1-CG2 3.55Å; F92-V94 HydrophobicContact CE1-CG2 3.11Å; F92-V94 HydrophobicContact CZ-CG2 3.97Å; F92-F123 HydrophobicContact CB-CD1 4.4Å; F92-F123 HydrophobicContact CB-CE1 4.48Å; F92-F123 AromaticContact CD2-CD1 3.55Å; F92-F123 HydrophobicContact CD2-CD1 3.55Å; F92-F123 AromaticContact CD2-CE1 3.5Å; F92-F123 HydrophobicContact CD2-CE1 3.5Å; F92-F123 VanDerWaalsContact CD2-CE1 3.5Å; F92-F123 HydrophobicContact CD2-CG 4.33Å; F92-F123 HydrophobicContact CD2-CZ 4.28Å; F92-F123 HydrophobicContact CE2-CD1 4.31Å; F92-F123 HydrophobicContact CE2-CE1 4.05Å; F92-F123 HydrophobicContact CE2-CZ 4.41Å; F92-F123 HydrophobicContact CG-CD1 4.44Å; F92-F123 HydrophobicContact CG-CE1 4.32Å; F92-W143 WeakPolarHBondContact O-CA 3.3Å; F92-W143 WeakPolarHBondContact O-CB 3.34Å; F92-G144 PolarHBondContact N-O 3.17Å; F92-G144 PolarHBondContact O-N 3.04Å; F92-P146 HydrophobicContact CB-CB 4.18Å; F92-P146 HydrophobicContact CB-CG 4.01Å; F92-L154 HydrophobicContact CD2-CD1 4.18Å; F92-L154 HydrophobicContact CE1-CD1 4.01Å; F92-L154 HydrophobicContact CE2-CD1 3.65Å; F92-L154 HydrophobicContact CZ-CD1 3.54Å; F92-L154 HydrophobicContact CZ-CD2 4.28Å; F92-F212 AromaticContact CE2-CD2 3.88Å; F92-F212 HydrophobicContact CE2-CD2 3.88Å; F92-F212 HydrophobicContact CE2-CE2 4.31Å; F92-F212 HydrophobicContact CZ-CD2 4.38Å; F92-L214 HydrophobicContact CE1-CD1 4.23Å; F92-L214 HydrophobicContact CZ-CD1 4.32Å; F92-I241 HydrophobicContact CD1-CG1 4.28Å; F92-I245 HydrophobicContact CB-CD1 4.34Å; F92-I245 HydrophobicContact CD1-CD1 3.48Å; F92-I245 VanDerWaalsContact CD1-CD1 3.48Å; F92-I245 HydrophobicContact CD1-CG1 3.59Å; F92-I245 HydrophobicContact CE1-CD1 3.93Å; F92-I245 HydrophobicContact CE1-CG1 3.58Å; F92-I245 HydrophobicContact CG-CD1 4.06Å |
| 93 | A | 96.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 127.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110 | L115 G121 A122 V124 L134 V141 W143 | A93-L115 HydrophobicContact CB-CD1 4.05Å; A93-L115 WeakPolarHBondContact O-CD2 3.25Å; A93-G121 CarbonylContact O-C 3.51Å; A93-G121 VanDerWaalsContact O-CA 3.25Å; A93-G121 WeakPolarHBondContact O-CA 3.47Å; A93-A122 PolarHBondContact N-O 3.09Å; A93-A122 PolarHBondContact O-N 2.66Å; A93-V124 HydrophobicContact CB-CG2 4.21Å; A93-L134 HydrophobicContact CB-CD2 3.99Å; A93-V141 HydrophobicContact CB-CG1 3.88Å; A93-W143 HydrophobicContact CB-CB 4.04Å |
| 94 | V | 95.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128.1 | 178.9 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | F92 I96 S120 V141 A142 L214 L248 | F92-V94 HydrophobicContact CD1-CG2 3.55Å; F92-V94 HydrophobicContact CE1-CG2 3.11Å; F92-V94 HydrophobicContact CZ-CG2 3.97Å; V94-I96 HydrophobicContact CG1-CG1 4.31Å; V94-I96 PolarHBondContact O-N 2.96Å; V94-S120 WeakPolarHBondContact CA-O 3.31Å; V94-V141 CarbonylContact O-C 3.4Å; V94-V141 WeakPolarHBondContact O-CA 3.49Å; V94-V141 WeakPolarHBondContact O-CG1 3.46Å; V94-A142 PolarHBondContact N-O 3.3Å; V94-A142 PolarHBondContact O-N 2.66Å; V94-L214 HydrophobicContact CB-CD1 4.46Å; V94-L214 HydrophobicContact CG1-CD1 3.8Å; V94-L214 HydrophobicContact CG2-CD1 3.74Å; V94-L248 HydrophobicContact CG1-CD1 4.17Å |
| 95 | R | 94 | Very high | 89.5 | Confident | 18 Ų | 18 | 57.9 Ų | 57.9 | 7% | 0.068 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 117.5 | 173.7 | 177.2 | 172.3 | 164.3 | -157.6 | -12.2 | 110.8 | R97 L115 R116 K117 F119 S120 V141 | R95-R97 WeakPolarHBondContact CG-O 3.3Å; R95-R97 PolarHBondContact NE-O 2.78Å; R95-L115 HydrophobicContact CB-CB 4.17Å; R95-L115 VanDerWaalsContact CD-O 3.27Å; R95-L115 WeakPolarHBondContact CD-O 3.18Å; R95-L115 PolarHBondContact NH1-O 2.99Å; R95-R116 VanDerWaalsContact NH1-C 3.26Å; R95-R116 PolarHBondContact NH1-O 3.04Å; R95-K117 WeakPolarHBondContact CD-O 3.26Å; R95-F119 VanDerWaalsContact O-CA 3.32Å; R95-F119 WeakPolarHBondContact O-CA 3.27Å; R95-F119 PolarHBondContact O-N 2.92Å; R95-S120 PolarHBondContact N-O 3.27Å; R95-V141 HydrophobicContact CB-CG2 4.39Å |
| 96 | I | 91.2 | Very high | 90.1 | Very high | 6 Ų | 6 | 53.7 Ų | 53.7 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | trans | -105.8 | -30 | -177.8 | -56.5 | 161.8 | 0 | 0 | 0 | 111.7 | V94 I118 F119 Y140 A142 L227 I231 | V94-I96 HydrophobicContact CG1-CG1 4.31Å; V94-I96 PolarHBondContact O-N 2.96Å; I96-I118 WeakPolarHBondContact O-CD1 3.5Å; I96-F119 HydrophobicContact CG2-CE1 4.17Å; I96-Y140 PolarHBondContact N-O 2.8Å; I96-Y140 VanDerWaalsContact N-O 3.09Å; I96-A142 HydrophobicContact CD1-CB 3.2Å; I96-A142 HydrophobicContact CG1-CB 4.31Å; I96-L227 HydrophobicContact CB-CD1 4.41Å; I96-L227 HydrophobicContact CG2-CD1 3.29Å; I96-I231 HydrophobicContact CD1-CG2 3.44Å; I96-I231 VanDerWaalsContact CD1-CG2 3.44Å; I96-I231 HydrophobicContact CG1-CG2 4.02Å; I96-I231 HydrophobicContact CG2-CG2 4.02Å | ||
| 97 | R | 89 | Confident | 90.9 | Very high | 85 Ų | 85 | 53.5 Ų | 53.5 | 32% | 0.321 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -103.9 | 158 | -179.8 | -63.7 | -170.6 | -179.5 | 162.8 | -4.8 | 113.6 | R95 P139 Y140 L227 N233 P234 | R95-R97 WeakPolarHBondContact CG-O 3.3Å; R95-R97 PolarHBondContact NE-O 2.78Å; R97-P139 WeakPolarHBondContact CD-O 3.25Å; R97-P139 PolarHBondContact NH1-O 3.35Å; R97-Y140 HydrophobicContact CB-CD1 4.32Å; R97-Y140 PolarHBondContact N-O 3.17Å; R97-Y140 VanDerWaalsContact N-O 3.16Å; R97-L227 HydrophobicContact CG-CD1 4.28Å; R97-N233 PolarHBondContact NH2-OD1 2.9Å; R97-P234 HydrophobicContact CG-CG 3.74Å; R97-P234 VanDerWaalsContact NE-CG 3.28Å; R97-P234 VanDerWaalsContact NH2-CD 3.34Å |
| 98 | E | 88 | Confident | 91.7 | Very high | 105 Ų | 105 | 51.3 Ų | 51.3 | 49% | 0.491 | 23% | 0.233 | S | C | . | . | trans | -70.9 | 150.5 | 168.8 | -63.9 | -164.1 | 169.4 | 0 | 0 | 111.6 | K100 I118 | E98-K100 IonicContact OE1-NZ 2.67Å; E98-K100 WeakPolarHBondContact OE2-CD 3.42Å; E98-K100 WeakPolarHBondContact OE2-CE 3.49Å; E98-K100 IonicContact OE2-NZ 3.99Å; E98-K100 PolarHBondContact OE2-NZ 2.87Å; E98-I118 HydrophobicContact CG-CD1 4.2Å | ||
| 99 | I | 88.8 | Confident | 92.3 | Very high | 31 Ų | 31 | 49.9 Ų | 49.9 | 16% | 0.159 | 23% | 0.226 | C | C | . | . | trans | -114.6 | 30.8 | -176.6 | 69.1 | 178.9 | 0 | 0 | 0 | 112 | G101 V102 I110 Y140 | I99-G101 PolarHBondContact O-N 3.22Å; I99-V102 HydrophobicContact CB-CG1 3.88Å; I99-V102 HydrophobicContact CB-CG2 4.04Å; I99-V102 WeakPolarHBondContact O-CG1 3.39Å; I99-V102 WeakPolarHBondContact O-CG2 3.27Å; I99-I110 HydrophobicContact CB-CD1 4.47Å; I99-I110 HydrophobicContact CD1-CD1 4.34Å; I99-I110 HydrophobicContact CD1-CG2 4.08Å; I99-I110 HydrophobicContact CG2-CD1 3.56Å; I99-Y140 HydrophobicContact CG2-CD1 4.08Å; I99-Y140 HydrophobicContact CG2-CG 4.18Å | ||
| 100 | K | 86.3 | Confident | 92.5 | Very high | 134 Ų | 134 | 43.4 Ų | 43.4 | 58% | 0.583 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 127.2 | 176.9 | -68.5 | 174 | -178.2 | 149.4 | 0 | 109.6 | R64 E98 | R64-K100 PolarHBondContact NH1-O 2.77Å; E98-K100 IonicContact OE1-NZ 2.67Å; E98-K100 WeakPolarHBondContact OE2-CD 3.42Å; E98-K100 WeakPolarHBondContact OE2-CE 3.49Å; E98-K100 IonicContact OE2-NZ 3.99Å; E98-K100 PolarHBondContact OE2-NZ 2.87Å |
| 101 | G | 85.1 | Confident | 92.5 | Very high | 20 Ų | 20 | 47.6 Ų | 47.6 | 21% | 0.206 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 20.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | D61 R64 I99 | D61-G101 VanDerWaalsContact OD1-CA 3.24Å; D61-G101 WeakPolarHBondContact OD1-CA 3.44Å; R64-G101 WeakPolarHBondContact CB-O 3.48Å; I99-G101 PolarHBondContact O-N 3.22Å |
| 102 | V | 90.4 | Very high | 92.4 | Very high | 14 Ų | 14 | 52.3 Ų | 52.3 | 9% | 0.085 | 24% | 0.244 | C | C | . | . | trans | -79.7 | 159.4 | 179.1 | -56.7 | 0 | 0 | 0 | 0 | 112 | I99 Q107 Y140 | I99-V102 HydrophobicContact CB-CG1 3.88Å; I99-V102 HydrophobicContact CB-CG2 4.04Å; I99-V102 WeakPolarHBondContact O-CG1 3.39Å; I99-V102 WeakPolarHBondContact O-CG2 3.27Å; V102-Q107 HydrophobicContact CG2-CB 4.05Å; V102-Y140 HydrophobicContact CG1-CD1 4.43Å; V102-Y140 HydrophobicContact CG1-CE1 3.6Å; V102-Y140 HydrophobicContact CG1-CE2 4.05Å; V102-Y140 VanDerWaalsContact CG1-OH 3.28Å; V102-Y140 WeakPolarHBondContact CG1-OH 3.49Å | ||
| 103 | S | 92.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | trans | -59 | 140.6 | 173.9 | 177.6 | 0 | 0 | 0 | 0 | 111.7 | R105 V106 Q107 | S103-R105 PolarHBondContact O-N 2.87Å; S103-R105 VanDerWaalsContact O-N 3.11Å; S103-V106 WeakPolarHBondContact O-CB 3.47Å; S103-V106 PolarHBondContact O-N 2.76Å; S103-Q107 PolarHBondContact O-N 3.48Å | ||
| 104 | P | 92.3 | Very high | 92.3 | Very high | 73 Ų | 73 | 55.8 Ų | 55.8 | 47% | 0.474 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -54.6 | -32 | 178.1 | -27.1 | 34.5 | 0 | 0 | 0 | 113.8 | Q107 K108 | P104-Q107 PolarHBondContact O-N 3.07Å; P104-K108 WeakPolarHBondContact O-CB 3.47Å; P104-K108 PolarHBondContact O-N 3.38Å |
| 105 | R | 92.4 | Very high | 92.3 | Very high | 173 Ų | 173 | 55.8 Ų | 55.8 | 65% | 0.653 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62.1 | -48.5 | 176 | -67.4 | -176.8 | -179 | -179 | 1 | 111.3 | I72 S103 Q107 K108 V109 M136 | I72-R105 HydrophobicContact CD1-CB 4.43Å; S103-R105 PolarHBondContact O-N 2.87Å; S103-R105 VanDerWaalsContact O-N 3.11Å; R105-Q107 VanDerWaalsContact C-N 3.34Å; R105-Q107 PolarHBondContact O-N 2.98Å; R105-K108 PolarHBondContact O-N 3.12Å; R105-V109 WeakPolarHBondContact O-CG2 3.07Å; R105-V109 PolarHBondContact O-N 3.24Å; R105-V109 VanDerWaalsContact O-N 3.11Å; R105-M136 HydrophobicContact CB-SD 4.43Å |
| 106 | V | 93.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 176.9 | -179.9 | 0 | 0 | 0 | 0 | 110.2 | I72 S103 K108 V109 I110 M136 V137 Y140 | I72-V106 HydrophobicContact CD1-CG2 3.85Å; S103-V106 WeakPolarHBondContact O-CB 3.47Å; S103-V106 PolarHBondContact O-N 2.76Å; V106-K108 VanDerWaalsContact C-N 3.31Å; V106-K108 PolarHBondContact O-N 3.3Å; V106-V109 PolarHBondContact O-N 3.05Å; V106-I110 HydrophobicContact CG1-CD1 3.97Å; V106-I110 HydrophobicContact CG1-CG1 4.41Å; V106-I110 WeakPolarHBondContact O-CG1 3.21Å; V106-I110 PolarHBondContact O-N 3.3Å; V106-M136 HydrophobicContact CG2-CG 4.26Å; V106-V137 HydrophobicContact CG1-CG1 4.25Å; V106-Y140 HydrophobicContact CG1-CD2 3.88Å; V106-Y140 HydrophobicContact CG1-CE2 3.77Å |
| 107 | Q | 93.8 | Very high | 92.2 | Very high | 88 Ų | 88 | 69.9 Ų | 69.9 | 41% | 0.411 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.9 | -42 | 178.8 | -165.6 | 178.5 | 4.9 | 0 | 0 | 111.9 | V102 S103 P104 R105 I110 Q111 | V102-Q107 HydrophobicContact CG2-CB 4.05Å; S103-Q107 PolarHBondContact O-N 3.48Å; P104-Q107 PolarHBondContact O-N 3.07Å; R105-Q107 VanDerWaalsContact C-N 3.34Å; R105-Q107 PolarHBondContact O-N 2.98Å; Q107-I110 PolarHBondContact O-N 3.16Å; Q107-Q111 VanDerWaalsContact O-CG 3.29Å; Q107-Q111 WeakPolarHBondContact O-CG 3.21Å; Q107-Q111 PolarHBondContact O-N 2.85Å |
| 108 | K | 95.1 | Very high | 92.3 | Very high | 143 Ų | 143 | 69.3 Ų | 69.3 | 62% | 0.622 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 176.1 | -166.7 | 171.2 | -175.9 | 176.5 | 0 | 111.5 | P104 R105 V106 Q111 M112 | P104-K108 WeakPolarHBondContact O-CB 3.47Å; P104-K108 PolarHBondContact O-N 3.38Å; R105-K108 PolarHBondContact O-N 3.12Å; V106-K108 VanDerWaalsContact C-N 3.31Å; V106-K108 PolarHBondContact O-N 3.3Å; K108-Q111 WeakPolarHBondContact O-CB 3.3Å; K108-Q111 PolarHBondContact O-N 3.42Å; K108-M112 WeakPolarHBondContact O-CG 3.48Å; K108-M112 PolarHBondContact O-N 3.4Å |
| 109 | V | 95.8 | Very high | 92.5 | Very high | 10 Ų | 10 | 65.7 Ų | 65.7 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 176.6 | 179 | 0 | 0 | 0 | 0 | 112 | R105 V106 Q111 M112 L113 M133 M136 V137 | R105-V109 WeakPolarHBondContact O-CG2 3.07Å; R105-V109 PolarHBondContact O-N 3.24Å; R105-V109 VanDerWaalsContact O-N 3.11Å; V106-V109 PolarHBondContact O-N 3.05Å; V109-Q111 VanDerWaalsContact C-N 3.26Å; V109-Q111 PolarHBondContact O-N 2.88Å; V109-M112 HydrophobicContact CB-CE 4.19Å; V109-M112 HydrophobicContact CG2-CE 3.76Å; V109-M112 WeakPolarHBondContact O-CB 3.32Å; V109-M112 PolarHBondContact O-N 2.86Å; V109-M112 VanDerWaalsContact O-N 3.13Å; V109-L113 HydrophobicContact CG1-CD1 4.21Å; V109-L113 HydrophobicContact CG1-CG 4.46Å; V109-L113 WeakPolarHBondContact O-CG 3.42Å; V109-L113 PolarHBondContact O-N 3.19Å; V109-M133 HydrophobicContact CG1-CB 3.62Å; V109-M133 HydrophobicContact CG1-CG 3.88Å; V109-M133 HydrophobicContact CG1-SD 4.43Å; V109-M136 HydrophobicContact CG2-SD 3.71Å; V109-V137 HydrophobicContact CB-CG1 3.86Å; V109-V137 HydrophobicContact CG1-CG1 3.51Å |
| 110 | I | 95.5 | Very high | 92.8 | Very high | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.5 | -36.7 | 176.3 | -69.2 | -179.3 | 0 | 0 | 0 | 111.3 | I99 V106 Q107 R114 L115 V137 | I99-I110 HydrophobicContact CB-CD1 4.47Å; I99-I110 HydrophobicContact CD1-CD1 4.34Å; I99-I110 HydrophobicContact CD1-CG2 4.08Å; I99-I110 HydrophobicContact CG2-CD1 3.56Å; V106-I110 HydrophobicContact CG1-CD1 3.97Å; V106-I110 HydrophobicContact CG1-CG1 4.41Å; V106-I110 WeakPolarHBondContact O-CG1 3.21Å; V106-I110 PolarHBondContact O-N 3.3Å; Q107-I110 PolarHBondContact O-N 3.16Å; I110-R114 PolarHBondContact O-N 3.5Å; I110-L115 HydrophobicContact CG2-CB 4.04Å; I110-L115 WeakPolarHBondContact CG2-O 3.26Å; I110-L115 PolarHBondContact O-N 3.28Å; I110-V137 HydrophobicContact CD1-CG1 4.32Å; I110-V137 HydrophobicContact CG1-CB 4.14Å; I110-V137 HydrophobicContact CG1-CG1 3.57Å |
| 111 | Q | 94.5 | Very high | 93.2 | Very high | 96 Ų | 96 | 58.1 Ų | 58.1 | 45% | 0.449 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.5 | -41 | 174 | -71 | 174.8 | 19.7 | 0 | 0 | 112.5 | Q107 K108 V109 L113 R114 | Q107-Q111 VanDerWaalsContact O-CG 3.29Å; Q107-Q111 WeakPolarHBondContact O-CG 3.21Å; Q107-Q111 PolarHBondContact O-N 2.85Å; K108-Q111 WeakPolarHBondContact O-CB 3.3Å; K108-Q111 PolarHBondContact O-N 3.42Å; V109-Q111 VanDerWaalsContact C-N 3.26Å; V109-Q111 PolarHBondContact O-N 2.88Å; Q111-L113 VanDerWaalsContact C-N 3.34Å; Q111-R114 WeakPolarHBondContact O-CA 3.47Å; Q111-R114 PolarHBondContact O-N 3.43Å |
| 112 | M | 95 | Very high | 93.8 | Very high | 100 Ų | 100 | 57.3 Ų | 57.3 | 49% | 0.493 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 175.1 | -71.2 | -172 | -66 | 0 | 0 | 111.8 | K108 V109 R114 M133 | K108-M112 WeakPolarHBondContact O-CG 3.48Å; K108-M112 PolarHBondContact O-N 3.4Å; V109-M112 HydrophobicContact CB-CE 4.19Å; V109-M112 HydrophobicContact CG2-CE 3.76Å; V109-M112 WeakPolarHBondContact O-CB 3.32Å; V109-M112 PolarHBondContact O-N 2.86Å; V109-M112 VanDerWaalsContact O-N 3.13Å; M112-R114 PolarHBondContact O-N 3.06Å; M112-M133 HydrophobicContact CE-CE 3.64Å; M112-M133 HydrophobicContact CE-SD 4.1Å; M112-M133 HydrophobicContact SD-CE 4.07Å |
| 113 | L | 95.3 | Very high | 94.1 | Very high | 14 Ų | 14 | 57.1 Ų | 57.1 | 7% | 0.073 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -4.6 | 173.2 | -64.4 | 176.5 | 0 | 0 | 0 | 113.4 | V109 Q111 L115 A122 V124 L134 V137 | V109-L113 HydrophobicContact CG1-CD1 4.21Å; V109-L113 HydrophobicContact CG1-CG 4.46Å; V109-L113 WeakPolarHBondContact O-CG 3.42Å; V109-L113 PolarHBondContact O-N 3.19Å; Q111-L113 VanDerWaalsContact C-N 3.34Å; L113-L115 VanDerWaalsContact C-N 3.25Å; L113-L115 HydrophobicContact CB-CD1 4.04Å; L113-L115 HydrophobicContact CB-CG 3.98Å; L113-L115 HydrophobicContact CD1-CD1 4.33Å; L113-L115 PolarHBondContact O-N 3.16Å; L113-A122 WeakPolarHBondContact O-CB 3.42Å; L113-V124 HydrophobicContact CD2-CG1 4.26Å; L113-V124 HydrophobicContact CD2-CG2 3.89Å; L113-L134 HydrophobicContact CD1-CD2 4.18Å; L113-V137 HydrophobicContact CD1-CG2 3.88Å |
| 114 | R | 95.1 | Very high | 94.3 | Very high | 58 Ų | 58 | 57.7 Ų | 57.7 | 22% | 0.219 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 22.2 | -179.6 | -50 | 177.8 | -70.9 | 164.4 | -2.9 | 114.4 | I110 Q111 M112 R116 S206 I209 P211 | I110-R114 PolarHBondContact O-N 3.5Å; Q111-R114 WeakPolarHBondContact O-CA 3.47Å; Q111-R114 PolarHBondContact O-N 3.43Å; M112-R114 PolarHBondContact O-N 3.06Å; R114-R116 VanDerWaalsContact C-N 3.33Å; R114-R116 PolarHBondContact O-N 3.19Å; R114-R116 VanDerWaalsContact O-N 3.13Å; R114-S206 PolarHBondContact NH1-O 2.93Å; R114-S206 PolarHBondContact NH2-O 2.94Å; R114-S206 PolarHBondContact NH2-OG 3.23Å; R114-I209 PolarHBondContact NH1-O 2.9Å; R114-I209 VanDerWaalsContact NH1-O 3.07Å; R114-P211 HydrophobicContact CB-CG 3.52Å |
| 115 | L | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -90.5 | 54.7 | -177 | -59.4 | 177.3 | 0 | 0 | 0 | 113 | A93 R95 I110 L113 S120 A122 V141 | A93-L115 HydrophobicContact CB-CD1 4.05Å; A93-L115 WeakPolarHBondContact O-CD2 3.25Å; R95-L115 HydrophobicContact CB-CB 4.17Å; R95-L115 VanDerWaalsContact CD-O 3.27Å; R95-L115 WeakPolarHBondContact CD-O 3.18Å; R95-L115 PolarHBondContact NH1-O 2.99Å; I110-L115 HydrophobicContact CG2-CB 4.04Å; I110-L115 WeakPolarHBondContact CG2-O 3.26Å; I110-L115 PolarHBondContact O-N 3.28Å; L113-L115 VanDerWaalsContact C-N 3.25Å; L113-L115 HydrophobicContact CB-CD1 4.04Å; L113-L115 HydrophobicContact CB-CG 3.98Å; L113-L115 HydrophobicContact CD1-CD1 4.33Å; L113-L115 PolarHBondContact O-N 3.16Å; L115-S120 VanDerWaalsContact CA-OG 3.25Å; L115-S120 WeakPolarHBondContact CA-OG 3.46Å; L115-S120 WeakPolarHBondContact CD2-O 3.39Å; L115-A122 HydrophobicContact CD2-CB 3.96Å; L115-V141 HydrophobicContact CD1-CG1 3.93Å; L115-V141 HydrophobicContact CD1-CG2 3.84Å | ||
| 116 | R | 91.6 | Very high | 94.5 | Very high | 189 Ų | 189 | 50.9 Ų | 50.9 | 71% | 0.713 | 23% | 0.228 | S | C | * | . | trans | -73.1 | -32.6 | -170.2 | -66 | -174.8 | -179.7 | -177.7 | -0.7 | 114.4 | R95 R114 | R95-R116 VanDerWaalsContact NH1-C 3.26Å; R95-R116 PolarHBondContact NH1-O 3.04Å; R114-R116 VanDerWaalsContact C-N 3.33Å; R114-R116 PolarHBondContact O-N 3.19Å; R114-R116 VanDerWaalsContact O-N 3.13Å | ||
| 117 | K | 91.8 | Very high | 94.4 | Very high | 131 Ų | 131 | 54 Ų | 54 | 57% | 0.57 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -103.3 | 157.2 | -179 | -66.8 | -162.8 | 174.6 | -161.3 | 0 | 110.3 | R95 S120 | R95-K117 WeakPolarHBondContact CD-O 3.26Å; K117-S120 WeakPolarHBondContact O-CB 3.44Å; K117-S120 PolarHBondContact O-N 2.75Å; K117-S120 PolarHBondContact O-OG 2.86Å |
| 118 | I | 91.3 | Very high | 94.2 | Very high | 73 Ų | 73 | 57.5 Ų | 57.5 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 144.8 | 166.1 | -162.3 | 170.8 | 0 | 0 | 0 | 108.7 | I96 E98 S120 | I96-I118 WeakPolarHBondContact O-CD1 3.5Å; E98-I118 HydrophobicContact CG-CD1 4.2Å; I118-S120 PolarHBondContact O-N 3.38Å; I118-S120 VanDerWaalsContact O-N 3.17Å |
| 119 | F | 92 | Very high | 94 | Very high | 29 Ų | 29 | 54.9 Ų | 54.9 | 13% | 0.127 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 24.9 | -173.3 | -51.5 | -65.8 | 0 | 0 | 0 | 114.4 | R95 I96 L214 V216 I231 L248 | R95-F119 VanDerWaalsContact O-CA 3.32Å; R95-F119 WeakPolarHBondContact O-CA 3.27Å; R95-F119 PolarHBondContact O-N 2.92Å; I96-F119 HydrophobicContact CG2-CE1 4.17Å; F119-L214 HydrophobicContact CB-CB 4.39Å; F119-L214 VanDerWaalsContact O-CB 3.3Å; F119-L214 WeakPolarHBondContact O-CB 3.37Å; F119-L214 PolarHBondContact O-N 2.66Å; F119-V216 HydrophobicContact CD1-CG2 3.84Å; F119-V216 HydrophobicContact CD2-CG2 3.51Å; F119-V216 HydrophobicContact CE1-CG2 3.74Å; F119-V216 HydrophobicContact CE2-CG2 3.42Å; F119-V216 VanDerWaalsContact CE2-CG2 3.42Å; F119-V216 HydrophobicContact CG-CG2 3.74Å; F119-V216 HydrophobicContact CZ-CG2 3.54Å; F119-I231 HydrophobicContact CE1-CD1 3.8Å; F119-L248 HydrophobicContact CD1-CD1 4.32Å; F119-L248 HydrophobicContact CD1-CD2 4.29Å |
| 120 | S | 94.5 | Very high | 93.9 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 5% | 0.049 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 139.4 | 164.3 | 64.6 | 0 | 0 | 0 | 0 | 110.3 | V94 R95 L115 K117 I118 F212 | V94-S120 WeakPolarHBondContact CA-O 3.31Å; R95-S120 PolarHBondContact N-O 3.27Å; L115-S120 VanDerWaalsContact CA-OG 3.25Å; L115-S120 WeakPolarHBondContact CA-OG 3.46Å; L115-S120 WeakPolarHBondContact CD2-O 3.39Å; K117-S120 WeakPolarHBondContact O-CB 3.44Å; K117-S120 PolarHBondContact O-N 2.75Å; K117-S120 PolarHBondContact O-OG 2.86Å; I118-S120 PolarHBondContact O-N 3.38Å; I118-S120 VanDerWaalsContact O-N 3.17Å; S120-F212 CarbonylContact C-O 3.56Å; S120-F212 WeakPolarHBondContact CA-O 3.24Å |
| 121 | G | 96 | Very high | 93.7 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 147.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A93 P211 F212 | A93-G121 CarbonylContact O-C 3.51Å; A93-G121 VanDerWaalsContact O-CA 3.25Å; A93-G121 WeakPolarHBondContact O-CA 3.47Å; G121-P211 CarbonylContact O-C 3.56Å; G121-P211 WeakPolarHBondContact O-CA 3.36Å; G121-F212 PolarHBondContact N-O 3.49Å; G121-F212 PolarHBondContact O-N 2.81Å |
| 122 | A | 96.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 146.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | A93 L113 L115 | A93-A122 PolarHBondContact N-O 3.09Å; A93-A122 PolarHBondContact O-N 2.66Å; L113-A122 WeakPolarHBondContact O-CB 3.42Å; L115-A122 HydrophobicContact CD2-CB 3.96Å |
| 123 | F | 97.1 | Very high | 93.5 | Very high | 10 Ų | 10 | 51.1 Ų | 51.1 | 4% | 0.044 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 134.2 | 170.2 | -66.1 | -56.5 | 0 | 0 | 0 | 110.9 | L90 F92 P146 V151 L154 I155 I195 F202 S206 F212 | L90-F123 HydrophobicContact CD1-CB 4.05Å; L90-F123 HydrophobicContact CD1-CD1 4.25Å; L90-F123 HydrophobicContact CD1-CG 4.45Å; L90-F123 HydrophobicContact CD2-CD1 4.19Å; L90-F123 HydrophobicContact CG-CD1 4.45Å; F92-F123 HydrophobicContact CB-CD1 4.4Å; F92-F123 HydrophobicContact CB-CE1 4.48Å; F92-F123 AromaticContact CD2-CD1 3.55Å; F92-F123 HydrophobicContact CD2-CD1 3.55Å; F92-F123 AromaticContact CD2-CE1 3.5Å; F92-F123 HydrophobicContact CD2-CE1 3.5Å; F92-F123 VanDerWaalsContact CD2-CE1 3.5Å; F92-F123 HydrophobicContact CD2-CG 4.33Å; F92-F123 HydrophobicContact CD2-CZ 4.28Å; F92-F123 HydrophobicContact CE2-CD1 4.31Å; F92-F123 HydrophobicContact CE2-CE1 4.05Å; F92-F123 HydrophobicContact CE2-CZ 4.41Å; F92-F123 HydrophobicContact CG-CD1 4.44Å; F92-F123 HydrophobicContact CG-CE1 4.32Å; F123-P146 HydrophobicContact CE1-CG 4.43Å; F123-V151 HydrophobicContact CE1-CG1 4.4Å; F123-V151 HydrophobicContact CE1-CG2 3.94Å; F123-V151 HydrophobicContact CE2-CG1 4.44Å; F123-V151 HydrophobicContact CZ-CB 4.32Å; F123-V151 HydrophobicContact CZ-CG1 3.91Å; F123-V151 HydrophobicContact CZ-CG2 4.19Å; F123-L154 HydrophobicContact CE1-CD1 4.34Å; F123-L154 HydrophobicContact CZ-CD1 4.08Å; F123-I155 HydrophobicContact CE2-CD1 4.17Å; F123-I155 HydrophobicContact CE2-CG1 4.17Å; F123-I195 HydrophobicContact CB-CG2 4.42Å; F123-I195 HydrophobicContact CD1-CG2 4.25Å; F123-I195 HydrophobicContact CD2-CD1 4.36Å; F123-I195 HydrophobicContact CD2-CG2 3.68Å; F123-I195 HydrophobicContact CE2-CD1 4.44Å; F123-I195 HydrophobicContact CE2-CG2 3.93Å; F123-I195 HydrophobicContact CG-CG2 3.87Å; F123-I195 HydrophobicContact CZ-CG2 4.37Å; F123-F202 HydrophobicContact CB-CZ 4.17Å; F123-S206 PolarHBondContact O-OG 3.23Å; F123-F212 AromaticContact CD2-CE2 3.72Å; F123-F212 HydrophobicContact CD2-CE2 3.72Å; F123-F212 HydrophobicContact CD2-CZ 4.24Å; F123-F212 AromaticContact CE2-CE2 3.33Å; F123-F212 HydrophobicContact CE2-CE2 3.33Å; F123-F212 AromaticContact CE2-CZ 3.53Å; F123-F212 HydrophobicContact CE2-CZ 3.53Å; F123-F212 AromaticContact CZ-CE2 3.94Å; F123-F212 HydrophobicContact CZ-CE2 3.94Å; F123-F212 HydrophobicContact CZ-CZ 4.2Å |
| 124 | V | 95.8 | Very high | 93.4 | Very high | 12 Ų | 12 | 50.5 Ų | 50.5 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 125.6 | -177.3 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | A91 A93 L113 V126 | A91-V124 HydrophobicContact CB-CB 4.46Å; A91-V124 PolarHBondContact N-O 3.05Å; A91-V124 PolarHBondContact O-N 3.03Å; A93-V124 HydrophobicContact CB-CG2 4.21Å; L113-V124 HydrophobicContact CD2-CG1 4.26Å; L113-V124 HydrophobicContact CD2-CG2 3.89Å; V124-V126 PolarHBondContact O-N 3.39Å |
| 125 | K | 94.9 | Very high | 93.2 | Very high | 85 Ų | 85 | 50.1 Ų | 50.1 | 37% | 0.37 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 125.9 | 170.5 | 174.5 | 164.6 | -170.8 | 167.5 | 0 | 109.4 | N127 S130 V198 F202 | K125-N127 PolarHBondContact O-N 3.29Å; K125-S130 WeakPolarHBondContact O-CB 3.46Å; K125-S130 PolarHBondContact O-OG 2.87Å; K125-V198 HydrophobicContact CB-CG1 4.09Å; K125-V198 HydrophobicContact CD-CG1 3.47Å; K125-V198 VanDerWaalsContact CD-CG1 3.47Å; K125-V198 HydrophobicContact CG-CG1 3.6Å; K125-F202 HydrophobicContact CB-CD1 3.82Å; K125-F202 HydrophobicContact CB-CE1 3.57Å; K125-F202 HydrophobicContact CB-CZ 4.24Å; K125-F202 HydrophobicContact CD-CD1 4.35Å |
| 126 | V | 93.4 | Very high | 93 | Very high | 18 Ų | 18 | 52.5 Ų | 52.5 | 11% | 0.109 | 26% | 0.255 | C | S | . | . | trans | -73.9 | 116.2 | 178.5 | 176.8 | 0 | 0 | 0 | 0 | 108.6 | M83 P84 R89 A91 V124 M131 F145 | M83-V126 HydrophobicContact CE-CG1 4.14Å; P84-V126 HydrophobicContact CG-CG1 3.63Å; R89-V126 WeakPolarHBondContact O-CB 3.34Å; R89-V126 WeakPolarHBondContact O-CG2 3.35Å; R89-V126 PolarHBondContact O-N 3.28Å; A91-V126 HydrophobicContact CB-CG2 3.79Å; V124-V126 PolarHBondContact O-N 3.39Å; V126-M131 HydrophobicContact CG1-CG 3.99Å; V126-M131 HydrophobicContact CG1-SD 4Å; V126-F145 HydrophobicContact CG2-CE1 4.19Å | ||
| 127 | N | 91.8 | Very high | 93.1 | Very high | 66 Ų | 66 | 43.5 Ų | 43.5 | 35% | 0.353 | 22% | 0.221 | S | C | . | . | trans | -145.9 | 170.8 | 170 | 66.8 | 31.2 | 0 | 0 | 0 | 107.8 | K125 T129 S130 M131 | K125-N127 PolarHBondContact O-N 3.29Å; N127-T129 PolarHBondContact O-N 2.88Å; N127-T129 WeakPolarHBondContact OD1-CA 3.34Å; N127-T129 WeakPolarHBondContact OD1-CB 3.29Å; N127-T129 PolarHBondContact OD1-N 3.25Å; N127-T129 VanDerWaalsContact OD1-N 3.09Å; N127-S130 PolarHBondContact ND2-OG 3.24Å; N127-S130 PolarHBondContact O-N 2.94Å; N127-S130 VanDerWaalsContact OD1-CB 3.24Å; N127-S130 WeakPolarHBondContact OD1-CB 3.44Å; N127-S130 PolarHBondContact OD1-N 3.32Å; N127-S130 PolarHBondContact OD1-OG 3.26Å; N127-M131 WeakPolarHBondContact O-CB 3.25Å; N127-M131 VanDerWaalsContact O-CG 3.29Å; N127-M131 WeakPolarHBondContact O-CG 3.3Å; N127-M131 PolarHBondContact O-N 3.16Å | ||
| 128 | K | 89.5 | Confident | 93.1 | Very high | 161 Ų | 161 | 40.5 Ų | 40.5 | 70% | 0.7 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -52.8 | -42.2 | -179.1 | -122.4 | 177.7 | -178.9 | 176.6 | 0 | 112.2 | M83 A132 | M83-K128 HydrophobicContact SD-CG 4.37Å; K128-A132 PolarHBondContact O-N 2.74Å |
| 129 | T | 91.2 | Very high | 93.1 | Very high | 89 Ų | 89 | 38.8 Ų | 38.8 | 55% | 0.546 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -70.4 | -46.8 | -178.2 | -49.5 | 0 | 0 | 0 | 0 | 113 | N127 M131 A132 M133 | N127-T129 PolarHBondContact O-N 2.88Å; N127-T129 WeakPolarHBondContact OD1-CA 3.34Å; N127-T129 WeakPolarHBondContact OD1-CB 3.29Å; N127-T129 PolarHBondContact OD1-N 3.25Å; N127-T129 VanDerWaalsContact OD1-N 3.09Å; T129-M131 VanDerWaalsContact C-N 3.31Å; T129-M131 PolarHBondContact O-N 3.4Å; T129-A132 WeakPolarHBondContact O-CB 3.22Å; T129-A132 PolarHBondContact O-N 3.42Å; T129-M133 HydrophobicContact CG2-CE 3.96Å; T129-M133 WeakPolarHBondContact O-CG 3.44Å; T129-M133 PolarHBondContact O-N 2.97Å |
| 130 | S | 93.1 | Very high | 93.1 | Very high | 16 Ų | 16 | 38.8 Ų | 38.8 | 11% | 0.112 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.6 | -40.3 | 176.2 | -65.3 | 0 | 0 | 0 | 0 | 110.3 | K125 N127 M133 L134 | K125-S130 WeakPolarHBondContact O-CB 3.46Å; K125-S130 PolarHBondContact O-OG 2.87Å; N127-S130 PolarHBondContact ND2-OG 3.24Å; N127-S130 PolarHBondContact O-N 2.94Å; N127-S130 VanDerWaalsContact OD1-CB 3.24Å; N127-S130 WeakPolarHBondContact OD1-CB 3.44Å; N127-S130 PolarHBondContact OD1-N 3.32Å; N127-S130 PolarHBondContact OD1-OG 3.26Å; S130-M133 WeakPolarHBondContact O-CB 3.41Å; S130-M133 PolarHBondContact O-N 3.18Å; S130-L134 WeakPolarHBondContact O-CB 3.48Å; S130-L134 VanDerWaalsContact O-CG 3.24Å; S130-L134 WeakPolarHBondContact O-CG 3.27Å; S130-L134 PolarHBondContact O-N 3.48Å |
| 131 | M | 91.4 | Very high | 93.1 | Very high | 11 Ų | 11 | 38.4 Ų | 38.4 | 5% | 0.054 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.6 | -42.5 | 174.8 | -72.4 | -63.1 | -66.9 | 0 | 0 | 111.5 | M83 V126 N127 T129 M133 L134 K135 W143 | M83-M131 HydrophobicContact SD-CG 4.35Å; V126-M131 HydrophobicContact CG1-CG 3.99Å; V126-M131 HydrophobicContact CG1-SD 4Å; N127-M131 WeakPolarHBondContact O-CB 3.25Å; N127-M131 VanDerWaalsContact O-CG 3.29Å; N127-M131 WeakPolarHBondContact O-CG 3.3Å; N127-M131 PolarHBondContact O-N 3.16Å; T129-M131 VanDerWaalsContact C-N 3.31Å; T129-M131 PolarHBondContact O-N 3.4Å; M131-M133 VanDerWaalsContact C-N 3.34Å; M131-M133 PolarHBondContact O-N 2.73Å; M131-L134 PolarHBondContact O-N 2.79Å; M131-L134 HydrophobicContact SD-CD1 4.43Å; M131-K135 WeakPolarHBondContact O-CB 3.49Å; M131-K135 PolarHBondContact O-N 2.94Å; M131-W143 HydrophobicContact CE-CH2 3.6Å; M131-W143 HydrophobicContact CE-CZ2 4.35Å; M131-W143 HydrophobicContact CE-CZ3 4.23Å; M131-W143 HydrophobicContact SD-CH2 4.07Å; M131-W143 HydrophobicContact SD-CZ3 4.19Å |
| 132 | A | 91.3 | Very high | 93.1 | Very high | 53 Ų | 53 | 38.4 Ų | 38.4 | 44% | 0.438 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K128 T129 K135 M136 | K128-A132 PolarHBondContact O-N 2.74Å; T129-A132 WeakPolarHBondContact O-CB 3.22Å; T129-A132 PolarHBondContact O-N 3.42Å; A132-K135 PolarHBondContact O-N 2.84Å; A132-M136 PolarHBondContact O-N 3.38Å |
| 133 | M | 93.8 | Very high | 93 | Very high | 48 Ų | 48 | 39.2 Ų | 39.2 | 24% | 0.236 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.3 | -47.3 | 173.7 | -74.5 | -176.2 | -174 | 0 | 0 | 111.7 | V109 M112 T129 S130 M131 M136 V137 | V109-M133 HydrophobicContact CG1-CB 3.62Å; V109-M133 HydrophobicContact CG1-CG 3.88Å; V109-M133 HydrophobicContact CG1-SD 4.43Å; M112-M133 HydrophobicContact CE-CE 3.64Å; M112-M133 HydrophobicContact CE-SD 4.1Å; M112-M133 HydrophobicContact SD-CE 4.07Å; T129-M133 HydrophobicContact CG2-CE 3.96Å; T129-M133 WeakPolarHBondContact O-CG 3.44Å; T129-M133 PolarHBondContact O-N 2.97Å; S130-M133 WeakPolarHBondContact O-CB 3.41Å; S130-M133 PolarHBondContact O-N 3.18Å; M131-M133 VanDerWaalsContact C-N 3.34Å; M131-M133 PolarHBondContact O-N 2.73Å; M133-M136 WeakPolarHBondContact O-CB 3.43Å; M133-M136 PolarHBondContact O-N 3.08Å; M133-M136 VanDerWaalsContact O-N 3.15Å; M133-V137 WeakPolarHBondContact O-CG2 3.14Å; M133-V137 PolarHBondContact O-N 3.19Å; M133-V137 VanDerWaalsContact O-N 3.12Å |
| 134 | L | 93.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.5 | -42.4 | 178.5 | -73.2 | 171.5 | 0 | 0 | 0 | 111.9 | A91 A93 L113 S130 M131 M136 V137 E138 W143 | A91-L134 HydrophobicContact CB-CD1 4.32Å; A93-L134 HydrophobicContact CB-CD2 3.99Å; L113-L134 HydrophobicContact CD1-CD2 4.18Å; S130-L134 WeakPolarHBondContact O-CB 3.48Å; S130-L134 VanDerWaalsContact O-CG 3.24Å; S130-L134 WeakPolarHBondContact O-CG 3.27Å; S130-L134 PolarHBondContact O-N 3.48Å; M131-L134 PolarHBondContact O-N 2.79Å; M131-L134 HydrophobicContact SD-CD1 4.43Å; L134-M136 VanDerWaalsContact C-N 3.29Å; L134-M136 PolarHBondContact O-N 3.39Å; L134-V137 CarbonylContact O-C 3.59Å; L134-V137 WeakPolarHBondContact O-CG2 3.02Å; L134-V137 PolarHBondContact O-N 3.16Å; L134-E138 PolarHBondContact O-N 3.09Å; L134-W143 HydrophobicContact CB-CD2 4.23Å; L134-W143 HydrophobicContact CB-CG 4.37Å; L134-W143 HydrophobicContact CB-CZ2 4.39Å; L134-W143 HydrophobicContact CD1-CD2 3.95Å; L134-W143 HydrophobicContact CD1-CE3 4Å; L134-W143 HydrophobicContact CD1-CG 4.28Å; L134-W143 HydrophobicContact CD2-CB 4.08Å; L134-W143 HydrophobicContact CD2-CD2 4.42Å; L134-W143 HydrophobicContact CD2-CG 3.91Å; L134-W143 HydrophobicContact CG-CD2 4.43Å; L134-W143 HydrophobicContact CG-CG 4.41Å |
| 135 | K | 90.8 | Very high | 92.8 | Very high | 50 Ų | 50 | 39.4 Ų | 39.4 | 22% | 0.217 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.4 | -35.4 | 173.2 | -168.8 | 175.4 | -175.3 | 179.6 | 0 | 112.1 | P81 M131 A132 E138 | P81-K135 HydrophobicContact CG-CD 4.22Å; M131-K135 WeakPolarHBondContact O-CB 3.49Å; M131-K135 PolarHBondContact O-N 2.94Å; A132-K135 PolarHBondContact O-N 2.84Å; K135-E138 WeakPolarHBondContact O-CB 3.1Å |
| 136 | M | 91.9 | Very high | 92.9 | Very high | 50 Ų | 50 | 36 Ų | 36 | 25% | 0.246 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.6 | -38.7 | 176 | -171.1 | 178.3 | -62.8 | 0 | 0 | 112.1 | R71 I72 R105 V106 V109 A132 M133 L134 | R71-M136 VanDerWaalsContact CZ-O 3.29Å; R71-M136 PolarHBondContact NH1-O 2.78Å; R71-M136 PolarHBondContact NH2-O 3.13Å; I72-M136 HydrophobicContact CD1-CG 4.15Å; I72-M136 HydrophobicContact CD1-SD 4.18Å; I72-M136 HydrophobicContact CG1-CG 4.14Å; I72-M136 HydrophobicContact CG2-CE 4.28Å; R105-M136 HydrophobicContact CB-SD 4.43Å; V106-M136 HydrophobicContact CG2-CG 4.26Å; V109-M136 HydrophobicContact CG2-SD 3.71Å; A132-M136 PolarHBondContact O-N 3.38Å; M133-M136 WeakPolarHBondContact O-CB 3.43Å; M133-M136 PolarHBondContact O-N 3.08Å; M133-M136 VanDerWaalsContact O-N 3.15Å; L134-M136 VanDerWaalsContact C-N 3.29Å; L134-M136 PolarHBondContact O-N 3.39Å |
| 137 | V | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -94.6 | 1.8 | -177.5 | -56.9 | 0 | 0 | 0 | 0 | 114.3 | V106 V109 I110 L113 M133 L134 P139 Y140 V141 | V106-V137 HydrophobicContact CG1-CG1 4.25Å; V109-V137 HydrophobicContact CB-CG1 3.86Å; V109-V137 HydrophobicContact CG1-CG1 3.51Å; I110-V137 HydrophobicContact CD1-CG1 4.32Å; I110-V137 HydrophobicContact CG1-CB 4.14Å; I110-V137 HydrophobicContact CG1-CG1 3.57Å; L113-V137 HydrophobicContact CD1-CG2 3.88Å; M133-V137 WeakPolarHBondContact O-CG2 3.14Å; M133-V137 PolarHBondContact O-N 3.19Å; M133-V137 VanDerWaalsContact O-N 3.12Å; L134-V137 CarbonylContact O-C 3.59Å; L134-V137 WeakPolarHBondContact O-CG2 3.02Å; L134-V137 PolarHBondContact O-N 3.16Å; V137-P139 VanDerWaalsContact C-N 3.29Å; V137-P139 WeakPolarHBondContact O-CD 3.35Å; V137-P139 VanDerWaalsContact O-N 3.12Å; V137-Y140 PolarHBondContact O-N 3.44Å; V137-V141 HydrophobicContact CB-CG2 4.11Å; V137-V141 HydrophobicContact CG2-CB 4.01Å; V137-V141 HydrophobicContact CG2-CG1 4.49Å; V137-V141 HydrophobicContact CG2-CG2 3.9Å; V137-V141 PolarHBondContact O-N 2.7Å; V137-V141 VanDerWaalsContact O-N 3.13Å |
| 138 | E | 91.8 | Very high | 93.1 | Very high | 69 Ų | 69 | 37.8 Ų | 37.8 | 32% | 0.322 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44.3 | -41.4 | -179.1 | -163.4 | -177.9 | 159.6 | 0 | 0 | 114.7 | L134 K135 Y140 P234 G235 P236 | L134-E138 PolarHBondContact O-N 3.09Å; K135-E138 WeakPolarHBondContact O-CB 3.1Å; E138-Y140 PolarHBondContact O-N 3.05Å; E138-P234 WeakPolarHBondContact O-CB 3.29Å; E138-G235 PolarHBondContact O-N 2.94Å; E138-P236 WeakPolarHBondContact OE1-CD 3.43Å |
| 139 | P | 91.4 | Very high | 93.4 | Very high | 36 Ų | 36 | 35.9 Ų | 35.9 | 23% | 0.234 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -13.5 | 179.8 | -20.5 | 33.7 | 0 | 0 | 0 | 114.9 | R97 V137 P234 | R97-P139 WeakPolarHBondContact CD-O 3.25Å; R97-P139 PolarHBondContact NH1-O 3.35Å; V137-P139 VanDerWaalsContact C-N 3.29Å; V137-P139 WeakPolarHBondContact O-CD 3.35Å; V137-P139 VanDerWaalsContact O-N 3.12Å; P139-P234 WeakPolarHBondContact O-CG 3.46Å |
| 140 | Y | 92.1 | Very high | 93.6 | Very high | 29 Ų | 29 | 31.7 Ų | 31.7 | 11% | 0.114 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -22.4 | -172.6 | -54.3 | -76.1 | 0 | 0 | 0 | 113.6 | D68 I96 R97 I99 V102 V106 V137 E138 | D68-Y140 PolarHBondContact OD2-OH 3.35Å; I96-Y140 PolarHBondContact N-O 2.8Å; I96-Y140 VanDerWaalsContact N-O 3.09Å; R97-Y140 HydrophobicContact CB-CD1 4.32Å; R97-Y140 PolarHBondContact N-O 3.17Å; R97-Y140 VanDerWaalsContact N-O 3.16Å; I99-Y140 HydrophobicContact CG2-CD1 4.08Å; I99-Y140 HydrophobicContact CG2-CG 4.18Å; V102-Y140 HydrophobicContact CG1-CD1 4.43Å; V102-Y140 HydrophobicContact CG1-CE1 3.6Å; V102-Y140 HydrophobicContact CG1-CE2 4.05Å; V102-Y140 VanDerWaalsContact CG1-OH 3.28Å; V102-Y140 WeakPolarHBondContact CG1-OH 3.49Å; V106-Y140 HydrophobicContact CG1-CD2 3.88Å; V106-Y140 HydrophobicContact CG1-CE2 3.77Å; V137-Y140 PolarHBondContact O-N 3.44Å; E138-Y140 PolarHBondContact O-N 3.05Å |
| 141 | V | 94.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 129.6 | -170.1 | 175 | 0 | 0 | 0 | 0 | 108.8 | A93 V94 R95 L115 V137 G235 | A93-V141 HydrophobicContact CB-CG1 3.88Å; V94-V141 CarbonylContact O-C 3.4Å; V94-V141 WeakPolarHBondContact O-CA 3.49Å; V94-V141 WeakPolarHBondContact O-CG1 3.46Å; R95-V141 HydrophobicContact CB-CG2 4.39Å; L115-V141 HydrophobicContact CD1-CG1 3.93Å; L115-V141 HydrophobicContact CD1-CG2 3.84Å; V137-V141 HydrophobicContact CB-CG2 4.11Å; V137-V141 HydrophobicContact CG2-CB 4.01Å; V137-V141 HydrophobicContact CG2-CG1 4.49Å; V137-V141 HydrophobicContact CG2-CG2 3.9Å; V137-V141 PolarHBondContact O-N 2.7Å; V137-V141 VanDerWaalsContact O-N 3.13Å; V141-G235 PolarHBondContact O-N 3.28Å |
| 142 | A | 94.4 | Very high | 94 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 138.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | V94 I96 G235 R237 I241 I244 | V94-A142 PolarHBondContact N-O 3.3Å; V94-A142 PolarHBondContact O-N 2.66Å; I96-A142 HydrophobicContact CD1-CB 3.2Å; I96-A142 HydrophobicContact CG1-CB 4.31Å; A142-G235 VanDerWaalsContact CA-O 3.32Å; A142-G235 WeakPolarHBondContact CA-O 3.49Å; A142-R237 HydrophobicContact CB-CG 4.12Å; A142-I241 HydrophobicContact CB-CD1 4.4Å; A142-I244 HydrophobicContact CB-CD1 4.43Å |
| 143 | W | 95.3 | Very high | 94.2 | Very high | 20 Ų | 20 | 33.7 Ų | 33.7 | 8% | 0.076 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 154.4 | 176.6 | 62.4 | -88.1 | 0 | 0 | 0 | 110.7 | F92 A93 M131 L134 F145 G235 P236 R237 | F92-W143 WeakPolarHBondContact O-CA 3.3Å; F92-W143 WeakPolarHBondContact O-CB 3.34Å; A93-W143 HydrophobicContact CB-CB 4.04Å; M131-W143 HydrophobicContact CE-CH2 3.6Å; M131-W143 HydrophobicContact CE-CZ2 4.35Å; M131-W143 HydrophobicContact CE-CZ3 4.23Å; M131-W143 HydrophobicContact SD-CH2 4.07Å; M131-W143 HydrophobicContact SD-CZ3 4.19Å; L134-W143 HydrophobicContact CB-CD2 4.23Å; L134-W143 HydrophobicContact CB-CG 4.37Å; L134-W143 HydrophobicContact CB-CZ2 4.39Å; L134-W143 HydrophobicContact CD1-CD2 3.95Å; L134-W143 HydrophobicContact CD1-CE3 4Å; L134-W143 HydrophobicContact CD1-CG 4.28Å; L134-W143 HydrophobicContact CD2-CB 4.08Å; L134-W143 HydrophobicContact CD2-CD2 4.42Å; L134-W143 HydrophobicContact CD2-CG 3.91Å; L134-W143 HydrophobicContact CG-CD2 4.43Å; L134-W143 HydrophobicContact CG-CG 4.41Å; W143-F145 HydrophobicContact CZ3-CE1 4.5Å; W143-F145 HydrophobicContact CZ3-CZ 4.18Å; W143-G235 PolarHBondContact N-O 2.86Å; W143-G235 VanDerWaalsContact N-O 3.07Å; W143-P236 HydrophobicContact CH2-CB 4.01Å; W143-P236 HydrophobicContact CZ2-CB 3.65Å; W143-P236 WeakPolarHBondContact O-CA 3.41Å; W143-R237 PolarHBondContact O-N 3.28Å |
| 144 | G | 94.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.7 | -166.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A91 F92 P146 G238 | A91-G144 CarbonylContact C-O 3.49Å; A91-G144 VanDerWaalsContact CA-O 3.25Å; A91-G144 WeakPolarHBondContact CA-O 3.42Å; F92-G144 PolarHBondContact N-O 3.17Å; F92-G144 PolarHBondContact O-N 3.04Å; G144-P146 WeakPolarHBondContact O-CD 3.08Å; G144-G238 CarbonylContact C-O 3.33Å; G144-G238 VanDerWaalsContact CA-O 3.26Å; G144-G238 WeakPolarHBondContact CA-O 3.41Å |
| 145 | F | 95.1 | Very high | 94.3 | Very high | 26 Ų | 26 | 31.4 Ų | 31.4 | 11% | 0.114 | 15% | 0.147 | C | C | . | . | trans | -101.3 | 109.7 | -175.1 | -50.7 | -62.6 | 0 | 0 | 0 | 110.1 | P84 N88 L90 V126 W143 G238 I241 N242 | P84-F145 HydrophobicContact CB-CE1 4.06Å; P84-F145 HydrophobicContact CB-CE2 4.13Å; P84-F145 HydrophobicContact CB-CZ 3.42Å; P84-F145 VanDerWaalsContact CB-CZ 3.42Å; P84-F145 HydrophobicContact CG-CE1 4.08Å; P84-F145 HydrophobicContact CG-CZ 3.84Å; N88-F145 HydrophobicContact CB-CD1 3.54Å; N88-F145 HydrophobicContact CB-CD2 4.1Å; N88-F145 HydrophobicContact CB-CE1 3.68Å; N88-F145 HydrophobicContact CB-CE2 4.22Å; N88-F145 HydrophobicContact CB-CG 3.77Å; N88-F145 HydrophobicContact CB-CZ 4.02Å; N88-F145 WeakPolarHBondContact ND2-CD2 3.49Å; L90-F145 WeakPolarHBondContact O-CD1 3.49Å; V126-F145 HydrophobicContact CG2-CE1 4.19Å; W143-F145 HydrophobicContact CZ3-CE1 4.5Å; W143-F145 HydrophobicContact CZ3-CZ 4.18Å; F145-G238 PolarHBondContact N-O 3.5Å; F145-I241 WeakPolarHBondContact O-CG2 3.49Å; F145-N242 PolarHBondContact O-ND2 3.35Å; F145-N242 VanDerWaalsContact O-ND2 3.13Å | ||
| 146 | P | 95.8 | Very high | 94.5 | Very high | 12 Ų | 12 | 33.8 Ų | 33.8 | 8% | 0.078 | 16% | 0.161 | C | C | . | . | trans | -74.4 | 147.1 | 179.9 | 33.9 | -36.3 | 0 | 0 | 0 | 110.6 | L90 F92 F123 G144 V151 N242 I245 | L90-P146 HydrophobicContact CD2-CG 3.78Å; L90-P146 HydrophobicContact CG-CG 4.05Å; L90-P146 WeakPolarHBondContact O-CD 3.47Å; F92-P146 HydrophobicContact CB-CB 4.18Å; F92-P146 HydrophobicContact CB-CG 4.01Å; F123-P146 HydrophobicContact CE1-CG 4.43Å; G144-P146 WeakPolarHBondContact O-CD 3.08Å; P146-V151 HydrophobicContact CB-CG2 3.86Å; P146-V151 HydrophobicContact CG-CG2 3.85Å; P146-N242 WeakPolarHBondContact CA-OD1 3.47Å; P146-I245 HydrophobicContact CB-CD1 4.16Å | ||
| 147 | N | 95 | Very high | 94.6 | Very high | 51 Ų | 51 | 38.1 Ų | 38.1 | 27% | 0.273 | 18% | 0.179 | S | C | . | . | trans | -84.1 | 163.5 | 168.3 | 65.2 | 36.7 | 0 | 0 | 0 | 110.9 | K149 S150 V151 N242 | N147-K149 PolarHBondContact O-N 2.84Å; N147-K149 WeakPolarHBondContact OD1-CB 3.49Å; N147-K149 PolarHBondContact OD1-N 2.91Å; N147-S150 PolarHBondContact O-N 3.47Å; N147-S150 VanDerWaalsContact O-N 3.15Å; N147-S150 VanDerWaalsContact OD1-CB 3.29Å; N147-S150 WeakPolarHBondContact OD1-CB 3.34Å; N147-S150 PolarHBondContact OD1-N 2.9Å; N147-S150 PolarHBondContact OD1-OG 2.79Å; N147-V151 WeakPolarHBondContact O-CG2 3.16Å; N147-V151 PolarHBondContact O-N 2.8Å; N147-N242 PolarHBondContact N-OD1 2.97Å; N147-N242 PolarHBondContact ND2-OD1 3.41Å | ||
| 148 | L | 94.8 | Very high | 94.6 | Very high | 71 Ų | 71 | 41.1 Ų | 41.1 | 37% | 0.372 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -56.1 | -38.3 | -179.8 | -179.3 | 61 | 0 | 0 | 0 | 112.3 | V151 R152 I192 Y196 | L148-V151 PolarHBondContact O-N 3.12Å; L148-R152 VanDerWaalsContact O-CB 3.27Å; L148-R152 WeakPolarHBondContact O-CB 3.44Å; L148-R152 PolarHBondContact O-N 3.21Å; L148-I192 HydrophobicContact CD1-CG2 3.95Å; L148-Y196 HydrophobicContact CB-CD2 4.3Å; L148-Y196 HydrophobicContact CB-CE1 4.36Å; L148-Y196 HydrophobicContact CB-CE2 4.04Å; L148-Y196 HydrophobicContact CD1-CD1 4.01Å; L148-Y196 HydrophobicContact CD1-CD2 4.24Å; L148-Y196 HydrophobicContact CD1-CG 3.84Å |
| 149 | K | 95.6 | Very high | 94.7 | Very high | 122 Ų | 122 | 38.2 Ų | 38.2 | 53% | 0.53 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.9 | -47.5 | 177.3 | -179.3 | 172.5 | 178 | 172.7 | 0 | 112 | N147 R152 E153 | N147-K149 PolarHBondContact O-N 2.84Å; N147-K149 WeakPolarHBondContact OD1-CB 3.49Å; N147-K149 PolarHBondContact OD1-N 2.91Å; K149-R152 PolarHBondContact O-N 2.95Å; K149-E153 WeakPolarHBondContact CE-OE1 3.29Å; K149-E153 HydrophobicContact CG-CG 4.43Å; K149-E153 WeakPolarHBondContact CG-OE1 3.48Å; K149-E153 WeakPolarHBondContact O-CB 3.45Å; K149-E153 VanDerWaalsContact O-CG 3.3Å; K149-E153 WeakPolarHBondContact O-CG 3.12Å; K149-E153 PolarHBondContact O-N 2.97Å |
| 150 | S | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.6 | -40.8 | 178.5 | -64.6 | 0 | 0 | 0 | 0 | 111.4 | N147 L154 N242 | N147-S150 PolarHBondContact O-N 3.47Å; N147-S150 VanDerWaalsContact O-N 3.15Å; N147-S150 VanDerWaalsContact OD1-CB 3.29Å; N147-S150 WeakPolarHBondContact OD1-CB 3.34Å; N147-S150 PolarHBondContact OD1-N 2.9Å; N147-S150 PolarHBondContact OD1-OG 2.79Å; S150-L154 WeakPolarHBondContact O-CB 3.46Å; S150-L154 VanDerWaalsContact O-CG 3.25Å; S150-L154 WeakPolarHBondContact O-CG 3.41Å; S150-L154 PolarHBondContact O-N 3.45Å; S150-N242 WeakPolarHBondContact CB-OD1 3.5Å; S150-N242 PolarHBondContact OG-OD1 3.48Å |
| 151 | V | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.7 | -49.7 | 175.8 | 176.3 | 0 | 0 | 0 | 0 | 110.3 | L90 F123 P146 N147 L148 L154 I155 I192 I195 Y196 | L90-V151 HydrophobicContact CD2-CG2 4.05Å; F123-V151 HydrophobicContact CE1-CG1 4.4Å; F123-V151 HydrophobicContact CE1-CG2 3.94Å; F123-V151 HydrophobicContact CE2-CG1 4.44Å; F123-V151 HydrophobicContact CZ-CB 4.32Å; F123-V151 HydrophobicContact CZ-CG1 3.91Å; F123-V151 HydrophobicContact CZ-CG2 4.19Å; P146-V151 HydrophobicContact CB-CG2 3.86Å; P146-V151 HydrophobicContact CG-CG2 3.85Å; N147-V151 WeakPolarHBondContact O-CG2 3.16Å; N147-V151 PolarHBondContact O-N 2.8Å; L148-V151 PolarHBondContact O-N 3.12Å; V151-L154 PolarHBondContact O-N 2.79Å; V151-I155 HydrophobicContact CG1-CD1 3.78Å; V151-I155 WeakPolarHBondContact O-CG1 3.38Å; V151-I155 PolarHBondContact O-N 3.02Å; V151-I155 VanDerWaalsContact O-N 3.07Å; V151-I192 HydrophobicContact CG1-CG2 4.26Å; V151-I195 HydrophobicContact CG1-CG2 4.02Å; V151-Y196 HydrophobicContact CG2-CD2 4.25Å |
| 152 | R | 96.2 | Very high | 95 | Very high | 80 Ų | 80 | 43.2 Ų | 43.2 | 30% | 0.302 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -56.5 | -52.3 | 177 | 176.7 | -175.5 | -61.5 | -74.4 | -3.7 | 111.5 | L148 K149 L154 I155 L156 E189 I192 | L148-R152 VanDerWaalsContact O-CB 3.27Å; L148-R152 WeakPolarHBondContact O-CB 3.44Å; L148-R152 PolarHBondContact O-N 3.21Å; K149-R152 PolarHBondContact O-N 2.95Å; R152-L154 VanDerWaalsContact C-N 3.33Å; R152-L154 PolarHBondContact O-N 3.49Å; R152-I155 PolarHBondContact O-N 3.42Å; R152-L156 HydrophobicContact CG-CD1 3.59Å; R152-L156 HydrophobicContact CG-CG 4.36Å; R152-L156 WeakPolarHBondContact O-CB 3.46Å; R152-L156 VanDerWaalsContact O-CG 3.3Å; R152-L156 WeakPolarHBondContact O-CG 3.39Å; R152-L156 PolarHBondContact O-N 2.87Å; R152-E189 IonicContact CZ-OE1 2.73Å; R152-E189 IonicContact CZ-OE2 3.38Å; R152-E189 IonicContact NH1-OE1 3.29Å; R152-E189 PolarHBondContact NH1-OE1 2.82Å; R152-E189 IonicContact NH1-OE2 3.27Å; R152-E189 PolarHBondContact NH1-OE2 2.85Å; R152-E189 IonicContact NH2-OE1 3.79Å; R152-E189 PolarHBondContact NH2-OE1 3.07Å; R152-E189 IonicContact NH2-OE2 2.66Å; R152-I192 HydrophobicContact CB-CD1 4.27Å; R152-I192 HydrophobicContact CB-CG2 4.49Å; R152-I192 HydrophobicContact CG-CD1 4.07Å |
| 153 | E | 95.3 | Very high | 95 | Very high | 42 Ų | 42 | 44.1 Ų | 44.1 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.7 | -37.6 | -179.1 | -74.5 | 176.2 | -172.9 | 0 | 0 | 112.8 | K149 K157 N249 | K149-E153 WeakPolarHBondContact CE-OE1 3.29Å; K149-E153 HydrophobicContact CG-CG 4.43Å; K149-E153 WeakPolarHBondContact CG-OE1 3.48Å; K149-E153 WeakPolarHBondContact O-CB 3.45Å; K149-E153 VanDerWaalsContact O-CG 3.3Å; K149-E153 WeakPolarHBondContact O-CG 3.12Å; K149-E153 PolarHBondContact O-N 2.97Å; E153-K157 VanDerWaalsContact O-CB 3.26Å; E153-K157 WeakPolarHBondContact O-CB 3.29Å; E153-K157 WeakPolarHBondContact O-CG 3.41Å; E153-K157 PolarHBondContact O-N 3.07Å; E153-N249 PolarHBondContact O-ND2 3.22Å |
| 154 | L | 95.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.3 | -46 | 177 | -81.5 | 170.3 | 0 | 0 | 0 | 111.7 | F92 F123 S150 V151 R152 R158 G159 F212 L214 I245 | F92-L154 HydrophobicContact CD2-CD1 4.18Å; F92-L154 HydrophobicContact CE1-CD1 4.01Å; F92-L154 HydrophobicContact CE2-CD1 3.65Å; F92-L154 HydrophobicContact CZ-CD1 3.54Å; F92-L154 HydrophobicContact CZ-CD2 4.28Å; F123-L154 HydrophobicContact CE1-CD1 4.34Å; F123-L154 HydrophobicContact CZ-CD1 4.08Å; S150-L154 WeakPolarHBondContact O-CB 3.46Å; S150-L154 VanDerWaalsContact O-CG 3.25Å; S150-L154 WeakPolarHBondContact O-CG 3.41Å; S150-L154 PolarHBondContact O-N 3.45Å; V151-L154 PolarHBondContact O-N 2.79Å; R152-L154 VanDerWaalsContact C-N 3.33Å; R152-L154 PolarHBondContact O-N 3.49Å; L154-R158 CarbonylContact O-C 3.5Å; L154-R158 WeakPolarHBondContact O-CA 3.47Å; L154-R158 WeakPolarHBondContact O-CB 3.41Å; L154-R158 PolarHBondContact O-N 2.83Å; L154-G159 PolarHBondContact O-N 3.28Å; L154-F212 HydrophobicContact CB-CD1 4.4Å; L154-F212 HydrophobicContact CB-CE1 4.11Å; L154-F212 HydrophobicContact CB-CZ 4.31Å; L154-F212 VanDerWaalsContact O-CE1 3.32Å; L154-F212 WeakPolarHBondContact O-CE1 3.4Å; L154-L214 HydrophobicContact CD2-CD2 3.61Å; L154-I245 HydrophobicContact CD1-CD1 4.18Å; L154-I245 HydrophobicContact CD1-CG1 4.36Å; L154-I245 HydrophobicContact CD1-CG2 3.76Å; L154-I245 HydrophobicContact CD2-CG2 3.99Å; L154-I245 HydrophobicContact CG-CG2 3.73Å |
| 155 | I | 95.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.1 | -44 | -178.8 | -66.2 | 168.8 | 0 | 0 | 0 | 110.1 | F123 V151 R152 G159 L170 L188 L191 I192 I195 I209 F212 | F123-I155 HydrophobicContact CE2-CD1 4.17Å; F123-I155 HydrophobicContact CE2-CG1 4.17Å; V151-I155 HydrophobicContact CG1-CD1 3.78Å; V151-I155 WeakPolarHBondContact O-CG1 3.38Å; V151-I155 PolarHBondContact O-N 3.02Å; V151-I155 VanDerWaalsContact O-N 3.07Å; R152-I155 PolarHBondContact O-N 3.42Å; I155-G159 WeakPolarHBondContact O-CA 3.45Å; I155-G159 PolarHBondContact O-N 3.04Å; I155-L170 HydrophobicContact CG2-CD1 4.3Å; I155-L188 HydrophobicContact CG2-CD2 3.67Å; I155-L188 HydrophobicContact CG2-CG 4.26Å; I155-L191 HydrophobicContact CG2-CD2 3.92Å; I155-I192 HydrophobicContact CB-CG1 4.2Å; I155-I192 HydrophobicContact CD1-CB 4.43Å; I155-I192 HydrophobicContact CD1-CG1 3.73Å; I155-I192 HydrophobicContact CG2-CG1 4.16Å; I155-I195 HydrophobicContact CD1-CD1 3.55Å; I155-I209 HydrophobicContact CD1-CD1 4.47Å; I155-I209 HydrophobicContact CG1-CD1 4.49Å; I155-F212 HydrophobicContact CG1-CE1 4.43Å; I155-F212 HydrophobicContact CG1-CZ 4.01Å |
| 156 | L | 94.4 | Very high | 94.4 | Very high | 100 Ų | 100 | 66.4 Ų | 66.4 | 52% | 0.524 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.2 | -45.8 | 179.9 | -70.4 | 173.3 | 0 | 0 | 0 | 112.8 | R152 L188 | R152-L156 HydrophobicContact CG-CD1 3.59Å; R152-L156 HydrophobicContact CG-CG 4.36Å; R152-L156 WeakPolarHBondContact O-CB 3.46Å; R152-L156 VanDerWaalsContact O-CG 3.3Å; R152-L156 WeakPolarHBondContact O-CG 3.39Å; R152-L156 PolarHBondContact O-N 2.87Å; L156-L188 HydrophobicContact CD2-CD1 3.85Å; L156-L188 HydrophobicContact CD2-CD2 3.56Å; L156-L188 HydrophobicContact CD2-CG 4.36Å; L156-L188 HydrophobicContact CG-CD2 4.23Å |
| 157 | K | 93.6 | Very high | 94.3 | Very high | 141 Ų | 141 | 71 Ų | 71 | 61% | 0.613 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -84 | -33.2 | -174.7 | -64.8 | -176.5 | -179.4 | 176.8 | 0 | 113.5 | E153 | E153-K157 VanDerWaalsContact O-CB 3.26Å; E153-K157 WeakPolarHBondContact O-CB 3.29Å; E153-K157 WeakPolarHBondContact O-CG 3.41Å; E153-K157 PolarHBondContact O-N 3.07Å |
| 158 | R | 93.9 | Very high | 94.2 | Very high | 63 Ų | 63 | 71 Ų | 71 | 24% | 0.238 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -130.3 | 4.3 | -168.6 | -62 | -175.6 | 178.3 | -90.9 | -7.2 | 113.4 | L154 Q160 F212 K213 N249 | L154-R158 CarbonylContact O-C 3.5Å; L154-R158 WeakPolarHBondContact O-CA 3.47Å; L154-R158 WeakPolarHBondContact O-CB 3.41Å; L154-R158 PolarHBondContact O-N 2.83Å; R158-Q160 PolarHBondContact O-N 2.8Å; R158-F212 HydrophobicContact CB-CD1 3.92Å; R158-K213 PolarHBondContact NH1-O 3.31Å; R158-N249 WeakPolarHBondContact CD-OD1 3.32Å; R158-N249 WeakPolarHBondContact CG-OD1 3.41Å; R158-N249 PolarHBondContact NE-OD1 3.42Å; R158-N249 VanDerWaalsContact NE-OD1 3.08Å; R158-N249 PolarHBondContact NE-OXT 3.33Å; R158-N249 PolarHBondContact NH2-OXT 3.25Å |
| 159 | G | 94.3 | Very high | 94.2 | Very high | 8 Ų | 8 | 69.9 Ų | 69.9 | 8% | 0.082 | 32% | 0.32 | C | S | . | . | trans | -65.1 | 125.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L154 I155 L170 | L154-G159 PolarHBondContact O-N 3.28Å; I155-G159 WeakPolarHBondContact O-CA 3.45Å; I155-G159 PolarHBondContact O-N 3.04Å; G159-L170 PolarHBondContact O-N 3.3Å | ||
| 160 | Q | 95.4 | Very high | 94.1 | Very high | 64 Ų | 64 | 64.9 Ų | 64.9 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 133.9 | 173.6 | -63.2 | -175.4 | -33.6 | 0 | 0 | 108.1 | R158 V168 W210 | R158-Q160 PolarHBondContact O-N 2.8Å; Q160-V168 CarbonylContact C-O 3.39Å; Q160-V168 WeakPolarHBondContact CA-O 3.5Å; Q160-W210 HydrophobicContact CB-CB 4.09Å; Q160-W210 WeakPolarHBondContact O-CB 3.14Å; Q160-W210 PolarHBondContact O-N 3.34Å |
| 161 | A | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 149.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I163 R167 V168 L170 L175 F208 | A161-I163 HydrophobicContact CB-CD1 3.98Å; A161-I163 HydrophobicContact CB-CG1 4.05Å; A161-R167 WeakPolarHBondContact O-CA 3.26Å; A161-V168 PolarHBondContact N-O 3.36Å; A161-V168 PolarHBondContact O-N 2.96Å; A161-L170 HydrophobicContact CB-CD2 3.78Å; A161-L170 HydrophobicContact CB-CG 4.43Å; A161-L175 HydrophobicContact CB-CD2 4.36Å; A161-F208 CarbonylContact C-O 3.47Å; A161-F208 WeakPolarHBondContact CA-O 3.5Å; A161-F208 HydrophobicContact CB-CD2 4.42Å; A161-F208 HydrophobicContact CB-CE1 3.95Å; A161-F208 HydrophobicContact CB-CE2 3.75Å; A161-F208 HydrophobicContact CB-CZ 3.48Å; A161-F208 VanDerWaalsContact CB-CZ 3.48Å |
| 162 | K | 94.4 | Very high | 93.6 | Very high | 106 Ų | 106 | 73.8 Ų | 73.8 | 46% | 0.461 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 95.2 | 167.8 | -177.7 | 178.9 | 175.5 | -162.1 | 0 | 108.5 | R166 F208 W210 | K162-R166 WeakPolarHBondContact CA-O 3.5Å; K162-F208 WeakPolarHBondContact CB-O 3.39Å; K162-F208 PolarHBondContact N-O 3.42Å; K162-W210 HydrophobicContact CB-CE3 3.73Å; K162-W210 HydrophobicContact CB-CZ3 4.25Å; K162-W210 HydrophobicContact CD-CE3 4.05Å; K162-W210 HydrophobicContact CD-CZ3 3.91Å; K162-W210 HydrophobicContact CG-CE3 3.72Å; K162-W210 HydrophobicContact CG-CZ3 3.7Å |
| 163 | I | 92.9 | Very high | 93.5 | Very high | 20 Ų | 20 | 74 Ų | 74 | 10% | 0.103 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 126.2 | 177.1 | -63.2 | 167.5 | 0 | 0 | 0 | 107.5 | A161 K165 R166 V168 L175 H179 F208 | A161-I163 HydrophobicContact CB-CD1 3.98Å; A161-I163 HydrophobicContact CB-CG1 4.05Å; I163-K165 PolarHBondContact O-N 2.77Å; I163-R166 PolarHBondContact N-O 3.17Å; I163-R166 WeakPolarHBondContact O-CA 3.21Å; I163-R166 WeakPolarHBondContact O-CB 3.32Å; I163-R166 PolarHBondContact O-N 2.8Å; I163-V168 HydrophobicContact CB-CG2 4.22Å; I163-V168 HydrophobicContact CD1-CB 4.26Å; I163-V168 HydrophobicContact CD1-CG2 4.28Å; I163-L175 HydrophobicContact CD1-CD1 3.76Å; I163-L175 HydrophobicContact CD1-CD2 3.63Å; I163-L175 HydrophobicContact CD1-CG 3.74Å; I163-H179 WeakPolarHBondContact CG2-NE2 3.33Å; I163-F208 HydrophobicContact CD1-CE2 4.49Å; I163-F208 HydrophobicContact CG1-CE2 4.14Å |
| 164 | D | 90.6 | Very high | 93.4 | Very high | 137 Ų | 137 | 76 Ų | 76 | 73% | 0.733 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 40.6 | 179.8 | -57.3 | -34.4 | 0 | 0 | 0 | 114.6 | R166 | D164-R166 PolarHBondContact O-N 3.13Å; D164-R166 VanDerWaalsContact O-N 3.08Å |
| 165 | K | 89.7 | Confident | 93.2 | Very high | 185 Ų | 185 | 77.5 Ų | 77.5 | 80% | 0.804 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 6.7 | -176.6 | -51.8 | 170 | -177.6 | 168.8 | 0 | 114.4 | I163 | I163-K165 PolarHBondContact O-N 2.77Š|
| 166 | R | 92.5 | Very high | 93.1 | Very high | 192 Ų | 192 | 77.4 Ų | 77.4 | 73% | 0.725 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 163.2 | 171.7 | -61.7 | -180 | -178.9 | -178.6 | 1.1 | 110.4 | K162 I163 D164 | K162-R166 WeakPolarHBondContact CA-O 3.5Å; I163-R166 PolarHBondContact N-O 3.17Å; I163-R166 WeakPolarHBondContact O-CA 3.21Å; I163-R166 WeakPolarHBondContact O-CB 3.32Å; I163-R166 PolarHBondContact O-N 2.8Å; D164-R166 PolarHBondContact O-N 3.13Å; D164-R166 VanDerWaalsContact O-N 3.08Å |
| 167 | R | 93.6 | Very high | 93.2 | Very high | 108 Ų | 108 | 77.3 Ų | 77.3 | 41% | 0.408 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 122.7 | 173.7 | -65.5 | -172.6 | -175.2 | 119.5 | 9 | 108.3 | A161 W210 | A161-R167 WeakPolarHBondContact O-CA 3.26Å; R167-W210 HydrophobicContact CG-CD2 3.65Å; R167-W210 HydrophobicContact CG-CE3 3.68Å; R167-W210 HydrophobicContact CG-CG 4.01Å; R167-W210 HydrophobicContact CG-CZ3 4.11Å; R167-W210 VanDerWaalsContact NE-CD1 3.3Å; R167-W210 VanDerWaalsContact NH2-CZ2 3.27Å; R167-W210 VanDerWaalsContact NH2-NE1 3.2Å |
| 168 | V | 94.4 | Very high | 93.2 | Very high | 51 Ų | 51 | 77.9 Ų | 77.9 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 139.4 | 176.7 | -172.2 | 0 | 0 | 0 | 0 | 108 | Q160 A161 I163 L175 | Q160-V168 CarbonylContact C-O 3.39Å; Q160-V168 WeakPolarHBondContact CA-O 3.5Å; A161-V168 PolarHBondContact N-O 3.36Å; A161-V168 PolarHBondContact O-N 2.96Å; I163-V168 HydrophobicContact CB-CG2 4.22Å; I163-V168 HydrophobicContact CD1-CB 4.26Å; I163-V168 HydrophobicContact CD1-CG2 4.28Å; V168-L175 HydrophobicContact CG1-CD1 3.73Å |
| 169 | A | 94.4 | Very high | 93.1 | Very high | 48 Ų | 48 | 78.2 Ų | 78.2 | 40% | 0.397 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 147.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | T171 | A169-T171 VanDerWaalsContact C-N 3.31Å; A169-T171 HydrophobicContact CB-CG2 4.09Å; A169-T171 PolarHBondContact O-N 3.2Å; A169-T171 VanDerWaalsContact O-N 3.15Å |
| 170 | L | 92.3 | Very high | 93.1 | Very high | 16 Ų | 16 | 78.4 Ų | 78.4 | 8% | 0.084 | 39% | 0.385 | C | S | . | . | trans | -85.3 | 73.1 | 174.7 | -69.4 | 172.8 | 0 | 0 | 0 | 109.7 | I155 G159 A161 L175 I176 L188 L191 F208 | I155-L170 HydrophobicContact CG2-CD1 4.3Å; G159-L170 PolarHBondContact O-N 3.3Å; A161-L170 HydrophobicContact CB-CD2 3.78Å; A161-L170 HydrophobicContact CB-CG 4.43Å; L170-L175 HydrophobicContact CD2-CD2 4.26Å; L170-I176 HydrophobicContact CD2-CD1 4.22Å; L170-I176 HydrophobicContact CD2-CG1 3.98Å; L170-L188 HydrophobicContact CB-CD1 4.39Å; L170-L191 HydrophobicContact CD1-CD2 3.92Å; L170-F208 HydrophobicContact CD2-CE1 3.86Å; L170-F208 HydrophobicContact CD2-CZ 4.2Å | ||
| 171 | T | 89.8 | Confident | 93 | Very high | 99 Ų | 99 | 76.7 Ų | 76.7 | 61% | 0.607 | 39% | 0.385 | S | S | * | . | trans | -92.6 | -44.3 | 179.8 | 46.2 | 0 | 0 | 0 | 0 | 112.5 | A169 | A169-T171 VanDerWaalsContact C-N 3.31Å; A169-T171 HydrophobicContact CB-CG2 4.09Å; A169-T171 PolarHBondContact O-N 3.2Å; A169-T171 VanDerWaalsContact O-N 3.15Å | ||
| 172 | D | 91.3 | Very high | 93 | Very high | 89 Ų | 89 | 84.5 Ų | 84.5 | 48% | 0.476 | 42% | 0.419 | S | S | . | . | trans | -112.8 | 135.3 | -168.6 | -53.7 | -60.1 | 0 | 0 | 0 | 111.6 | T174 L175 | D172-T174 PolarHBondContact O-N 3.08Å; D172-L175 PolarHBondContact O-N 3.42Å | ||
| 173 | N | 94.3 | Very high | 93 | Very high | 85 Ų | 85 | 83 Ų | 83 | 46% | 0.455 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65 | -30.8 | 176.3 | -71.1 | -29.8 | 0 | 0 | 0 | 111.8 | L175 I176 E177 L188 | N173-L175 VanDerWaalsContact C-N 3.26Å; N173-L175 PolarHBondContact O-N 3.03Å; N173-I176 WeakPolarHBondContact O-CB 3.25Å; N173-I176 PolarHBondContact O-N 2.94Å; N173-E177 PolarHBondContact O-N 3.13Å; N173-L188 PolarHBondContact OD1-N 3.29Å |
| 174 | T | 93.5 | Very high | 93 | Very high | 83 Ų | 83 | 84.7 Ų | 84.7 | 51% | 0.509 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58 | -38.9 | 176.9 | 54.2 | 0 | 0 | 0 | 0 | 112.1 | D172 I176 E177 Q178 | D172-T174 PolarHBondContact O-N 3.08Å; T174-I176 VanDerWaalsContact C-N 3.34Å; T174-E177 PolarHBondContact O-N 2.84Å; T174-Q178 WeakPolarHBondContact O-CB 3.44Å; T174-Q178 WeakPolarHBondContact O-CG 3.23Å; T174-Q178 PolarHBondContact O-N 3.45Å |
| 175 | L | 92.1 | Very high | 93.2 | Very high | 31 Ų | 31 | 78.4 Ų | 78.4 | 16% | 0.162 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68.6 | -34.3 | 177.1 | 177.4 | 145.4 | 0 | 0 | 0 | 112 | A161 I163 V168 L170 D172 N173 H179 F208 | A161-L175 HydrophobicContact CB-CD2 4.36Å; I163-L175 HydrophobicContact CD1-CD1 3.76Å; I163-L175 HydrophobicContact CD1-CD2 3.63Å; I163-L175 HydrophobicContact CD1-CG 3.74Å; V168-L175 HydrophobicContact CG1-CD1 3.73Å; L170-L175 HydrophobicContact CD2-CD2 4.26Å; D172-L175 PolarHBondContact O-N 3.42Å; N173-L175 VanDerWaalsContact C-N 3.26Å; N173-L175 PolarHBondContact O-N 3.03Å; L175-H179 PolarHBondContact O-CD2 3.33Å; L175-F208 HydrophobicContact CD2-CZ 4.41Å |
| 176 | I | 93.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.7 | -49.6 | 175.7 | -61.7 | 175.8 | 0 | 0 | 0 | 109.4 | L170 N173 T174 Q178 H179 M180 I185 L188 | L170-I176 HydrophobicContact CD2-CD1 4.22Å; L170-I176 HydrophobicContact CD2-CG1 3.98Å; N173-I176 WeakPolarHBondContact O-CB 3.25Å; N173-I176 PolarHBondContact O-N 2.94Å; T174-I176 VanDerWaalsContact C-N 3.34Å; I176-Q178 PolarHBondContact O-N 3.13Å; I176-H179 PolarHBondContact O-N 2.99Å; I176-M180 HydrophobicContact CG2-CB 4.39Å; I176-M180 WeakPolarHBondContact O-CA 3.4Å; I176-M180 WeakPolarHBondContact O-CB 3.47Å; I176-M180 PolarHBondContact O-N 3.19Å; I176-I185 HydrophobicContact CG2-CG2 3.94Å; I176-L188 HydrophobicContact CD1-CB 3.82Å; I176-L188 HydrophobicContact CD1-CG 4.21Å |
| 177 | E | 94.9 | Very high | 93.5 | Very high | 97 Ų | 97 | 66.1 Ų | 66.1 | 45% | 0.453 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 179.5 | -174.6 | 177.1 | -164.8 | 0 | 0 | 112.3 | N173 T174 H179 G181 I186 | N173-E177 PolarHBondContact O-N 3.13Å; T174-E177 PolarHBondContact O-N 2.84Å; E177-H179 VanDerWaalsContact C-N 3.27Å; E177-H179 PolarHBondContact O-N 3.25Å; E177-G181 WeakPolarHBondContact O-CA 3.2Å; E177-G181 PolarHBondContact O-N 3.13Å; E177-I186 HydrophobicContact CB-CG2 4.3Å; E177-I186 HydrophobicContact CG-CG2 4.11Å |
| 178 | Q | 94.2 | Very high | 93.6 | Very high | 154 Ų | 154 | 62 Ų | 62 | 72% | 0.72 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -57.1 | -38.7 | 178.2 | -77.7 | 172.7 | 4.2 | 0 | 0 | 113.1 | T174 I176 | T174-Q178 WeakPolarHBondContact O-CB 3.44Å; T174-Q178 WeakPolarHBondContact O-CG 3.23Å; T174-Q178 PolarHBondContact O-N 3.45Å; I176-Q178 PolarHBondContact O-N 3.13Å |
| 179 | H | 92.8 | Very high | 93.6 | Very high | 70 Ų | 70 | 63.5 Ų | 63.5 | 32% | 0.324 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -94.4 | -34.2 | -176.7 | -76 | -66 | 0 | 0 | 0 | 113.8 | I163 L175 I176 E177 F208 | I163-H179 WeakPolarHBondContact CG2-NE2 3.33Å; L175-H179 PolarHBondContact O-CD2 3.33Å; I176-H179 PolarHBondContact O-N 2.99Å; E177-H179 VanDerWaalsContact C-N 3.27Å; E177-H179 PolarHBondContact O-N 3.25Å; H179-F208 HydrophobicContact CB-CE2 3.85Å; H179-F208 HydrophobicContact CB-CZ 4.4Å |
| 180 | M | 94.3 | Very high | 93.6 | Very high | 12 Ų | 12 | 64 Ų | 64 | 6% | 0.059 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -115.1 | -4.2 | -170.7 | -57.4 | -77.9 | 89.8 | 0 | 0 | 113.7 | I176 K182 Y183 I185 V204 F208 | I176-M180 HydrophobicContact CG2-CB 4.39Å; I176-M180 WeakPolarHBondContact O-CA 3.4Å; I176-M180 WeakPolarHBondContact O-CB 3.47Å; I176-M180 PolarHBondContact O-N 3.19Å; M180-K182 PolarHBondContact O-N 2.98Å; M180-Y183 HydrophobicContact CE-CD2 4.02Å; M180-Y183 HydrophobicContact CE-CE2 3.93Å; M180-Y183 WeakPolarHBondContact O-CA 3.49Å; M180-Y183 WeakPolarHBondContact O-CB 3.3Å; M180-Y183 PolarHBondContact O-N 3.3Å; M180-Y183 HydrophobicContact SD-CD2 4.3Å; M180-I185 CarbonylContact C-O 3.52Å; M180-I185 HydrophobicContact CB-CB 3.84Å; M180-I185 HydrophobicContact CB-CD1 4.49Å; M180-I185 HydrophobicContact CB-CG2 4.14Å; M180-I185 PolarHBondContact O-N 3.32Å; M180-V204 HydrophobicContact CE-CG1 4.02Å; M180-V204 HydrophobicContact SD-CG1 4.35Å; M180-F208 HydrophobicContact CE-CB 4.32Å; M180-F208 HydrophobicContact CE-CD2 4.13Å; M180-F208 HydrophobicContact CE-CG 4.26Å; M180-F208 HydrophobicContact CG-CD1 4.05Å; M180-F208 HydrophobicContact CG-CD2 4.41Å; M180-F208 HydrophobicContact CG-CE1 4.08Å; M180-F208 HydrophobicContact CG-CE2 4.44Å; M180-F208 HydrophobicContact CG-CG 4.21Å; M180-F208 HydrophobicContact CG-CZ 4.27Å; M180-F208 HydrophobicContact SD-CB 3.86Å; M180-F208 HydrophobicContact SD-CD1 4.06Å; M180-F208 HydrophobicContact SD-CD2 4.2Å; M180-F208 HydrophobicContact SD-CG 3.79Å |
| 181 | G | 93.1 | Very high | 93.7 | Very high | 28 Ų | 28 | 63.3 Ų | 63.3 | 29% | 0.289 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -58.3 | -32.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | E177 Y183 G184 I185 | E177-G181 WeakPolarHBondContact O-CA 3.2Å; E177-G181 PolarHBondContact O-N 3.13Å; G181-Y183 PolarHBondContact O-N 3.07Å; G181-G184 PolarHBondContact O-N 2.91Å; G181-I185 PolarHBondContact N-O 2.93Å |
| 182 | K | 94.4 | Very high | 94 | Very high | 164 Ų | 164 | 58.6 Ų | 58.6 | 71% | 0.713 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -60.4 | -17.4 | 172.3 | 69.2 | -176.2 | 180 | 179.9 | 0 | 114.9 | M180 | M180-K182 PolarHBondContact O-N 2.98Š|
| 183 | Y | 93.8 | Very high | 94.2 | Very high | 73 Ų | 73 | 59.6 Ų | 59.6 | 29% | 0.286 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -103.1 | 6.7 | 177 | -60.7 | -65 | 0 | 0 | 0 | 112.7 | M180 G181 N201 V204 | M180-Y183 HydrophobicContact CE-CD2 4.02Å; M180-Y183 HydrophobicContact CE-CE2 3.93Å; M180-Y183 WeakPolarHBondContact O-CA 3.49Å; M180-Y183 WeakPolarHBondContact O-CB 3.3Å; M180-Y183 PolarHBondContact O-N 3.3Å; M180-Y183 HydrophobicContact SD-CD2 4.3Å; G181-Y183 PolarHBondContact O-N 3.07Å; Y183-N201 HydrophobicContact CD1-CB 4.43Å; Y183-N201 HydrophobicContact CG-CB 4.5Å; Y183-N201 PolarHBondContact O-ND2 3.24Å; Y183-V204 HydrophobicContact CD2-CG1 4.08Å; Y183-V204 HydrophobicContact CE1-CG2 4.27Å; Y183-V204 HydrophobicContact CE2-CB 4.31Å; Y183-V204 HydrophobicContact CE2-CG1 3.44Å; Y183-V204 VanDerWaalsContact CE2-CG1 3.44Å |
| 184 | G | 92.8 | Very high | 94.3 | Very high | 57 Ų | 57 | 57 Ų | 57 | 59% | 0.588 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 25.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G181 | G181-G184 PolarHBondContact O-N 2.91Š|
| 185 | I | 95 | Very high | 94.4 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | trans | -112.6 | 106.4 | 179.5 | -56.8 | 171.7 | 0 | 0 | 0 | 107.3 | I176 M180 G181 D190 L191 E194 V205 | I176-I185 HydrophobicContact CG2-CG2 3.94Å; M180-I185 CarbonylContact C-O 3.52Å; M180-I185 HydrophobicContact CB-CB 3.84Å; M180-I185 HydrophobicContact CB-CD1 4.49Å; M180-I185 HydrophobicContact CB-CG2 4.14Å; M180-I185 PolarHBondContact O-N 3.32Å; G181-I185 PolarHBondContact N-O 2.93Å; I185-D190 HydrophobicContact CB-CB 4.44Å; I185-D190 HydrophobicContact CG2-CB 3.93Å; I185-L191 HydrophobicContact CG2-CB 4.18Å; I185-L191 HydrophobicContact CG2-CD1 4.21Å; I185-E194 HydrophobicContact CD1-CB 4.43Å; I185-E194 HydrophobicContact CD1-CG 4.16Å; I185-V205 HydrophobicContact CD1-CG2 3.22Å | ||
| 186 | I | 95 | Very high | 94.6 | Very high | 88 Ų | 88 | 56.1 Ų | 56.1 | 45% | 0.451 | 28% | 0.284 | S | S | . | . | trans | -103.6 | -41.8 | -172.2 | -57.7 | 171.7 | 0 | 0 | 0 | 109.4 | E177 D190 | E177-I186 HydrophobicContact CB-CG2 4.3Å; E177-I186 HydrophobicContact CG-CG2 4.11Å; I186-D190 PolarHBondContact N-OD2 2.82Å; I186-D190 VanDerWaalsContact N-OD2 3.09Å | ||
| 187 | C | 94.6 | Very high | 94.6 | Very high | 30 Ų | 30 | 58.3 Ų | 58.3 | 20% | 0.203 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -119.3 | 172.4 | -175.7 | 71.5 | 0 | 0 | 0 | 0 | 113.4 | E189 D190 L191 | C187-E189 PolarHBondContact O-N 3.03Å; C187-D190 PolarHBondContact N-OD2 3.36Å; C187-D190 PolarHBondContact O-N 3.43Å; C187-D190 PolarHBondContact SG-N 3.16Å; C187-D190 PolarHBondContact SG-OD2 3.36Å; C187-L191 PolarHBondContact O-N 3.29Å |
| 188 | L | 94.6 | Very high | 94.6 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.6 | -31.3 | 175.8 | -159 | 160.4 | 0 | 0 | 0 | 111.9 | I155 L156 L170 N173 I176 L191 I192 | I155-L188 HydrophobicContact CG2-CD2 3.67Å; I155-L188 HydrophobicContact CG2-CG 4.26Å; L156-L188 HydrophobicContact CD2-CD1 3.85Å; L156-L188 HydrophobicContact CD2-CD2 3.56Å; L156-L188 HydrophobicContact CD2-CG 4.36Å; L156-L188 HydrophobicContact CG-CD2 4.23Å; L170-L188 HydrophobicContact CB-CD1 4.39Å; N173-L188 PolarHBondContact OD1-N 3.29Å; I176-L188 HydrophobicContact CD1-CB 3.82Å; I176-L188 HydrophobicContact CD1-CG 4.21Å; L188-L191 VanDerWaalsContact O-CB 3.3Å; L188-L191 WeakPolarHBondContact O-CB 3.2Å; L188-L191 PolarHBondContact O-N 2.83Å; L188-I192 HydrophobicContact CD2-CD1 3.41Å; L188-I192 VanDerWaalsContact CD2-CD1 3.41Å; L188-I192 HydrophobicContact CD2-CG1 3.92Å; L188-I192 WeakPolarHBondContact O-CG1 3.49Å; L188-I192 PolarHBondContact O-N 3.07Å |
| 189 | E | 94.9 | Very high | 94.5 | Very high | 84 Ų | 84 | 47.3 Ų | 47.3 | 39% | 0.393 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 177.3 | -165.8 | 60.4 | -152.2 | 0 | 0 | 111.8 | R152 C187 L191 I192 H193 | R152-E189 IonicContact CZ-OE1 2.73Å; R152-E189 IonicContact CZ-OE2 3.38Å; R152-E189 IonicContact NH1-OE1 3.29Å; R152-E189 PolarHBondContact NH1-OE1 2.82Å; R152-E189 IonicContact NH1-OE2 3.27Å; R152-E189 PolarHBondContact NH1-OE2 2.85Å; R152-E189 IonicContact NH2-OE1 3.79Å; R152-E189 PolarHBondContact NH2-OE1 3.07Å; R152-E189 IonicContact NH2-OE2 2.66Å; C187-E189 PolarHBondContact O-N 3.03Å; E189-L191 PolarHBondContact O-N 3.42Å; E189-I192 WeakPolarHBondContact O-CB 3.37Å; E189-I192 PolarHBondContact O-N 2.68Å; E189-I192 VanDerWaalsContact O-N 3.13Å; E189-H193 WeakPolarHBondContact O-CB 3.48Å; E189-H193 PolarHBondContact O-N 3.41Å |
| 190 | D | 95 | Very high | 94.6 | Very high | 59 Ų | 59 | 53.9 Ų | 53.9 | 32% | 0.316 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.1 | -39.2 | 175.1 | -57.5 | -31.5 | 0 | 0 | 0 | 111 | I185 I186 C187 H193 E194 | I185-D190 HydrophobicContact CB-CB 4.44Å; I185-D190 HydrophobicContact CG2-CB 3.93Å; I186-D190 PolarHBondContact N-OD2 2.82Å; I186-D190 VanDerWaalsContact N-OD2 3.09Å; C187-D190 PolarHBondContact N-OD2 3.36Å; C187-D190 PolarHBondContact O-N 3.43Å; C187-D190 PolarHBondContact SG-N 3.16Å; C187-D190 PolarHBondContact SG-OD2 3.36Å; D190-H193 PolarHBondContact O-N 2.93Å; D190-E194 VanDerWaalsContact O-CB 3.3Å; D190-E194 WeakPolarHBondContact O-CB 3.34Å; D190-E194 PolarHBondContact O-N 3.38Å |
| 191 | L | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 176.3 | -168 | 93.7 | 0 | 0 | 0 | 111.5 | I155 L170 I185 C187 L188 E189 I195 V205 F208 I209 | I155-L191 HydrophobicContact CG2-CD2 3.92Å; L170-L191 HydrophobicContact CD1-CD2 3.92Å; I185-L191 HydrophobicContact CG2-CB 4.18Å; I185-L191 HydrophobicContact CG2-CD1 4.21Å; C187-L191 PolarHBondContact O-N 3.29Å; L188-L191 VanDerWaalsContact O-CB 3.3Å; L188-L191 WeakPolarHBondContact O-CB 3.2Å; L188-L191 PolarHBondContact O-N 2.83Å; E189-L191 PolarHBondContact O-N 3.42Å; L191-I195 HydrophobicContact CG-CD1 4.35Å; L191-I195 WeakPolarHBondContact O-CD1 3.43Å; L191-I195 VanDerWaalsContact O-CG1 3.31Å; L191-I195 WeakPolarHBondContact O-CG1 3.24Å; L191-I195 PolarHBondContact O-N 3.41Å; L191-V205 HydrophobicContact CD1-CG1 3.59Å; L191-V205 HydrophobicContact CG-CG1 3.97Å; L191-F208 HydrophobicContact CD1-CD1 4.12Å; L191-F208 HydrophobicContact CD1-CE1 4.33Å; L191-I209 HydrophobicContact CD2-CD1 3.79Å; L191-I209 HydrophobicContact CD2-CG1 4.28Å; L191-I209 HydrophobicContact CG-CD1 4.27Å |
| 192 | I | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 176.7 | -70.1 | 163.3 | 0 | 0 | 0 | 109.9 | L148 V151 R152 I155 L188 E189 I195 Y196 | L148-I192 HydrophobicContact CD1-CG2 3.95Å; V151-I192 HydrophobicContact CG1-CG2 4.26Å; R152-I192 HydrophobicContact CB-CD1 4.27Å; R152-I192 HydrophobicContact CB-CG2 4.49Å; R152-I192 HydrophobicContact CG-CD1 4.07Å; I155-I192 HydrophobicContact CB-CG1 4.2Å; I155-I192 HydrophobicContact CD1-CB 4.43Å; I155-I192 HydrophobicContact CD1-CG1 3.73Å; I155-I192 HydrophobicContact CG2-CG1 4.16Å; L188-I192 HydrophobicContact CD2-CD1 3.41Å; L188-I192 VanDerWaalsContact CD2-CD1 3.41Å; L188-I192 HydrophobicContact CD2-CG1 3.92Å; L188-I192 WeakPolarHBondContact O-CG1 3.49Å; L188-I192 PolarHBondContact O-N 3.07Å; E189-I192 WeakPolarHBondContact O-CB 3.37Å; E189-I192 PolarHBondContact O-N 2.68Å; E189-I192 VanDerWaalsContact O-N 3.13Å; I192-I195 PolarHBondContact O-N 2.95Å; I192-Y196 WeakPolarHBondContact O-CB 3.34Å; I192-Y196 PolarHBondContact O-N 3.3Å |
| 193 | H | 95.3 | Very high | 94.7 | Very high | 111 Ų | 111 | 56.5 Ų | 56.5 | 51% | 0.514 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.7 | -47.8 | -179.9 | 177.7 | -99 | 0 | 0 | 0 | 111.5 | E189 D190 I195 Y196 S197 | E189-H193 WeakPolarHBondContact O-CB 3.48Å; E189-H193 PolarHBondContact O-N 3.41Å; D190-H193 PolarHBondContact O-N 2.93Å; H193-I195 VanDerWaalsContact C-N 3.27Å; H193-I195 PolarHBondContact O-N 2.89Å; H193-Y196 PolarHBondContact O-N 3.18Å; H193-S197 PolarHBondContact NE2-OG 2.88Å; H193-S197 VanDerWaalsContact NE2-OG 3.16Å; H193-S197 VanDerWaalsContact O-CB 3.25Å; H193-S197 WeakPolarHBondContact O-CB 3.41Å; H193-S197 PolarHBondContact O-N 3.13Å; H193-S197 PolarHBondContact O-OG 3.31Å |
| 194 | E | 95.4 | Very high | 94.8 | Very high | 30 Ų | 30 | 54.9 Ų | 54.9 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.6 | -35 | 180 | -176.4 | 61.6 | -166.2 | 0 | 0 | 112.3 | I185 D190 V198 G199 K200 N201 F202 V205 | I185-E194 HydrophobicContact CD1-CB 4.43Å; I185-E194 HydrophobicContact CD1-CG 4.16Å; D190-E194 VanDerWaalsContact O-CB 3.3Å; D190-E194 WeakPolarHBondContact O-CB 3.34Å; D190-E194 PolarHBondContact O-N 3.38Å; E194-V198 WeakPolarHBondContact O-CA 3.43Å; E194-V198 PolarHBondContact O-N 2.95Å; E194-G199 PolarHBondContact O-N 3.43Å; E194-G199 VanDerWaalsContact O-N 3.08Å; E194-G199 WeakPolarHBondContact OE1-CA 3.34Å; E194-K200 PolarHBondContact OE1-N 3.07Å; E194-K200 VanDerWaalsContact OE1-N 3.13Å; E194-N201 WeakPolarHBondContact OE1-CA 3.46Å; E194-N201 WeakPolarHBondContact OE1-CB 3.5Å; E194-N201 PolarHBondContact OE1-N 3.38Å; E194-F202 PolarHBondContact OE1-N 3.04Å; E194-V205 HydrophobicContact CG-CG2 3.85Å |
| 195 | I | 95.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -71.1 | -50.7 | 175.5 | -71.6 | 163.8 | 0 | 0 | 0 | 111.4 | L90 F123 V151 I155 L191 I192 H193 V198 F202 V205 I209 | L90-I195 HydrophobicContact CD1-CG2 4.42Å; L90-I195 HydrophobicContact CD2-CG2 3.99Å; F123-I195 HydrophobicContact CB-CG2 4.42Å; F123-I195 HydrophobicContact CD1-CG2 4.25Å; F123-I195 HydrophobicContact CD2-CD1 4.36Å; F123-I195 HydrophobicContact CD2-CG2 3.68Å; F123-I195 HydrophobicContact CE2-CD1 4.44Å; F123-I195 HydrophobicContact CE2-CG2 3.93Å; F123-I195 HydrophobicContact CG-CG2 3.87Å; F123-I195 HydrophobicContact CZ-CG2 4.37Å; V151-I195 HydrophobicContact CG1-CG2 4.02Å; I155-I195 HydrophobicContact CD1-CD1 3.55Å; L191-I195 HydrophobicContact CG-CD1 4.35Å; L191-I195 WeakPolarHBondContact O-CD1 3.43Å; L191-I195 VanDerWaalsContact O-CG1 3.31Å; L191-I195 WeakPolarHBondContact O-CG1 3.24Å; L191-I195 PolarHBondContact O-N 3.41Å; I192-I195 PolarHBondContact O-N 2.95Å; H193-I195 VanDerWaalsContact C-N 3.27Å; H193-I195 PolarHBondContact O-N 2.89Å; I195-V198 PolarHBondContact O-N 3.36Å; I195-F202 HydrophobicContact CG2-CE2 4.26Å; I195-V205 HydrophobicContact CD1-CG1 3.72Å; I195-V205 HydrophobicContact CG1-CG1 3.61Å; I195-I209 HydrophobicContact CD1-CD1 3.25Å |
| 196 | Y | 95.7 | Very high | 94.9 | Very high | 95 Ų | 95 | 52.6 Ų | 52.6 | 37% | 0.373 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.5 | -45.6 | -175.7 | -177.2 | -106.3 | 0 | 0 | 0 | 111.8 | L148 V151 I192 H193 V198 | L148-Y196 HydrophobicContact CB-CD2 4.3Å; L148-Y196 HydrophobicContact CB-CE1 4.36Å; L148-Y196 HydrophobicContact CB-CE2 4.04Å; L148-Y196 HydrophobicContact CD1-CD1 4.01Å; L148-Y196 HydrophobicContact CD1-CD2 4.24Å; L148-Y196 HydrophobicContact CD1-CG 3.84Å; V151-Y196 HydrophobicContact CG2-CD2 4.25Å; I192-Y196 WeakPolarHBondContact O-CB 3.34Å; I192-Y196 PolarHBondContact O-N 3.3Å; H193-Y196 PolarHBondContact O-N 3.18Å; Y196-V198 PolarHBondContact O-N 2.88Å |
| 197 | S | 93.9 | Very high | 94.9 | Very high | 45 Ų | 45 | 52.7 Ų | 52.7 | 32% | 0.315 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -74.4 | -13.6 | 178.7 | -61.5 | 0 | 0 | 0 | 0 | 112.9 | R89 H193 | R89-S197 PolarHBondContact NH1-O 3.44Å; H193-S197 PolarHBondContact NE2-OG 2.88Å; H193-S197 VanDerWaalsContact NE2-OG 3.16Å; H193-S197 VanDerWaalsContact O-CB 3.25Å; H193-S197 WeakPolarHBondContact O-CB 3.41Å; H193-S197 PolarHBondContact O-N 3.13Å; H193-S197 PolarHBondContact O-OG 3.31Å |
| 198 | V | 94.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 57.6 | -176.4 | -167.3 | 0 | 0 | 0 | 0 | 110.6 | R89 L90 K125 E194 I195 Y196 F202 | R89-V198 HydrophobicContact CB-CB 4.31Å; R89-V198 HydrophobicContact CB-CG2 3.91Å; L90-V198 HydrophobicContact CB-CG2 3.72Å; L90-V198 HydrophobicContact CD1-CG2 4.27Å; K125-V198 HydrophobicContact CB-CG1 4.09Å; K125-V198 HydrophobicContact CD-CG1 3.47Å; K125-V198 VanDerWaalsContact CD-CG1 3.47Å; K125-V198 HydrophobicContact CG-CG1 3.6Å; E194-V198 WeakPolarHBondContact O-CA 3.43Å; E194-V198 PolarHBondContact O-N 2.95Å; I195-V198 PolarHBondContact O-N 3.36Å; Y196-V198 PolarHBondContact O-N 2.88Å; V198-F202 HydrophobicContact CB-CD2 4.4Å; V198-F202 HydrophobicContact CG1-CB 4.34Å; V198-F202 HydrophobicContact CG1-CD2 4.05Å; V198-F202 HydrophobicContact CG1-CG 4.03Å |
| 199 | G | 92.4 | Very high | 94.9 | Very high | 19 Ų | 19 | 51.2 Ų | 51.2 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | trans | -69.5 | -171 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | E194 N201 F202 | E194-G199 PolarHBondContact O-N 3.43Å; E194-G199 VanDerWaalsContact O-N 3.08Å; E194-G199 WeakPolarHBondContact OE1-CA 3.34Å; G199-N201 VanDerWaalsContact C-N 3.29Å; G199-N201 PolarHBondContact O-N 2.94Å; G199-F202 WeakPolarHBondContact O-CB 3.28Å; G199-F202 PolarHBondContact O-N 3.02Å | ||
| 200 | K | 93.7 | Very high | 94.9 | Very high | 208 Ų | 208 | 50.1 Ų | 50.1 | 90% | 0.904 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -35.4 | -176.4 | -64.9 | 179.7 | -177.6 | 176.5 | 0 | 111.4 | E194 | E194-K200 PolarHBondContact OE1-N 3.07Å; E194-K200 VanDerWaalsContact OE1-N 3.13Å |
| 201 | N | 95.5 | Very high | 94.9 | Very high | 48 Ų | 48 | 48.2 Ų | 48.2 | 26% | 0.257 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 6.9 | -174.8 | -63.2 | -38.3 | 0 | 0 | 0 | 112.9 | Y183 E194 G199 R203 V204 V205 | Y183-N201 HydrophobicContact CD1-CB 4.43Å; Y183-N201 HydrophobicContact CG-CB 4.5Å; Y183-N201 PolarHBondContact O-ND2 3.24Å; E194-N201 WeakPolarHBondContact OE1-CA 3.46Å; E194-N201 WeakPolarHBondContact OE1-CB 3.5Å; E194-N201 PolarHBondContact OE1-N 3.38Å; G199-N201 VanDerWaalsContact C-N 3.29Å; G199-N201 PolarHBondContact O-N 2.94Å; N201-R203 PolarHBondContact O-N 3.11Å; N201-V204 WeakPolarHBondContact O-CA 3.44Å; N201-V204 WeakPolarHBondContact O-CB 3.39Å; N201-V204 PolarHBondContact O-N 2.78Å; N201-V205 PolarHBondContact O-N 3.49Å |
| 202 | F | 95.4 | Very high | 94.9 | Very high | 11 Ų | 11 | 48.4 Ų | 48.4 | 5% | 0.048 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -46.4 | -41.9 | 179.1 | -180 | -89.2 | 0 | 0 | 0 | 113.8 | L90 F123 K125 E194 I195 V198 G199 V204 V205 S206 | L90-F202 HydrophobicContact CD1-CE2 3.59Å; L90-F202 HydrophobicContact CD1-CZ 3.75Å; F123-F202 HydrophobicContact CB-CZ 4.17Å; K125-F202 HydrophobicContact CB-CD1 3.82Å; K125-F202 HydrophobicContact CB-CE1 3.57Å; K125-F202 HydrophobicContact CB-CZ 4.24Å; K125-F202 HydrophobicContact CD-CD1 4.35Å; E194-F202 PolarHBondContact OE1-N 3.04Å; I195-F202 HydrophobicContact CG2-CE2 4.26Å; V198-F202 HydrophobicContact CB-CD2 4.4Å; V198-F202 HydrophobicContact CG1-CB 4.34Å; V198-F202 HydrophobicContact CG1-CD2 4.05Å; V198-F202 HydrophobicContact CG1-CG 4.03Å; G199-F202 WeakPolarHBondContact O-CB 3.28Å; G199-F202 PolarHBondContact O-N 3.02Å; F202-V204 VanDerWaalsContact C-N 3.3Å; F202-V204 PolarHBondContact O-N 2.95Å; F202-V205 PolarHBondContact O-N 3.19Å; F202-S206 WeakPolarHBondContact O-CB 3.49Å; F202-S206 PolarHBondContact O-N 3.11Å |
| 203 | R | 94.5 | Very high | 94.8 | Very high | 199 Ų | 199 | 52.8 Ų | 52.8 | 75% | 0.751 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.5 | -40 | 179.9 | -176.5 | 176 | 70 | -178.7 | 0.8 | 111.7 | N201 N207 | N201-R203 PolarHBondContact O-N 3.11Å; R203-N207 WeakPolarHBondContact O-CB 3.47Å; R203-N207 PolarHBondContact O-N 3.12Å; R203-N207 PolarHBondContact O-ND2 2.9Å |
| 204 | V | 94.9 | Very high | 94.6 | Very high | 40 Ų | 40 | 48.2 Ų | 48.2 | 24% | 0.242 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.1 | -48.2 | -179.5 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | M180 Y183 N201 F202 S206 N207 F208 | M180-V204 HydrophobicContact CE-CG1 4.02Å; M180-V204 HydrophobicContact SD-CG1 4.35Å; Y183-V204 HydrophobicContact CD2-CG1 4.08Å; Y183-V204 HydrophobicContact CE1-CG2 4.27Å; Y183-V204 HydrophobicContact CE2-CB 4.31Å; Y183-V204 HydrophobicContact CE2-CG1 3.44Å; Y183-V204 VanDerWaalsContact CE2-CG1 3.44Å; N201-V204 WeakPolarHBondContact O-CA 3.44Å; N201-V204 WeakPolarHBondContact O-CB 3.39Å; N201-V204 PolarHBondContact O-N 2.78Å; F202-V204 VanDerWaalsContact C-N 3.3Å; F202-V204 PolarHBondContact O-N 2.95Å; V204-S206 PolarHBondContact O-N 3.32Å; V204-N207 PolarHBondContact O-N 2.83Å; V204-N207 VanDerWaalsContact O-N 3.12Å; V204-F208 WeakPolarHBondContact O-CB 3.46Å; V204-F208 PolarHBondContact O-N 3.15Å |
| 205 | V | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.5 | -45.9 | 177.9 | 177.3 | 0 | 0 | 0 | 0 | 111.8 | I185 L191 E194 I195 N201 F202 N207 F208 I209 | I185-V205 HydrophobicContact CD1-CG2 3.22Å; L191-V205 HydrophobicContact CD1-CG1 3.59Å; L191-V205 HydrophobicContact CG-CG1 3.97Å; E194-V205 HydrophobicContact CG-CG2 3.85Å; I195-V205 HydrophobicContact CD1-CG1 3.72Å; I195-V205 HydrophobicContact CG1-CG1 3.61Å; N201-V205 PolarHBondContact O-N 3.49Å; F202-V205 PolarHBondContact O-N 3.19Å; V205-N207 PolarHBondContact O-N 3.38Å; V205-F208 WeakPolarHBondContact O-CB 3.39Å; V205-F208 PolarHBondContact O-N 3.42Å; V205-F208 VanDerWaalsContact O-N 3.16Å; V205-I209 HydrophobicContact CG1-CD1 4.38Å; V205-I209 PolarHBondContact O-N 3.49Å |
| 206 | S | 95 | Very high | 93.8 | Very high | 13 Ų | 13 | 51.2 Ų | 51.2 | 9% | 0.091 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.1 | -37.8 | 177.3 | -174.4 | 0 | 0 | 0 | 0 | 111.1 | R114 F123 F202 V204 | R114-S206 PolarHBondContact NH1-O 2.93Å; R114-S206 PolarHBondContact NH2-O 2.94Å; R114-S206 PolarHBondContact NH2-OG 3.23Å; F123-S206 PolarHBondContact O-OG 3.23Å; F202-S206 WeakPolarHBondContact O-CB 3.49Å; F202-S206 PolarHBondContact O-N 3.11Å; V204-S206 PolarHBondContact O-N 3.32Å |
| 207 | N | 94.1 | Very high | 93 | Very high | 91 Ų | 91 | 50 Ų | 50 | 49% | 0.487 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -74.7 | -32.1 | 176.4 | -81.4 | -24.7 | 0 | 0 | 0 | 114 | R203 V204 V205 | R203-N207 WeakPolarHBondContact O-CB 3.47Å; R203-N207 PolarHBondContact O-N 3.12Å; R203-N207 PolarHBondContact O-ND2 2.9Å; V204-N207 PolarHBondContact O-N 2.83Å; V204-N207 VanDerWaalsContact O-N 3.12Å; V205-N207 PolarHBondContact O-N 3.38Å |
| 208 | F | 95.1 | Very high | 91.8 | Very high | 14 Ų | 14 | 59.6 Ų | 59.6 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 173.2 | 175.2 | -110.1 | 0 | 0 | 0 | 110.8 | A161 K162 I163 L170 L175 H179 M180 L191 V204 V205 W210 | A161-F208 CarbonylContact C-O 3.47Å; A161-F208 WeakPolarHBondContact CA-O 3.5Å; A161-F208 HydrophobicContact CB-CD2 4.42Å; A161-F208 HydrophobicContact CB-CE1 3.95Å; A161-F208 HydrophobicContact CB-CE2 3.75Å; A161-F208 HydrophobicContact CB-CZ 3.48Å; A161-F208 VanDerWaalsContact CB-CZ 3.48Å; K162-F208 WeakPolarHBondContact CB-O 3.39Å; K162-F208 PolarHBondContact N-O 3.42Å; I163-F208 HydrophobicContact CD1-CE2 4.49Å; I163-F208 HydrophobicContact CG1-CE2 4.14Å; L170-F208 HydrophobicContact CD2-CE1 3.86Å; L170-F208 HydrophobicContact CD2-CZ 4.2Å; L175-F208 HydrophobicContact CD2-CZ 4.41Å; H179-F208 HydrophobicContact CB-CE2 3.85Å; H179-F208 HydrophobicContact CB-CZ 4.4Å; M180-F208 HydrophobicContact CE-CB 4.32Å; M180-F208 HydrophobicContact CE-CD2 4.13Å; M180-F208 HydrophobicContact CE-CG 4.26Å; M180-F208 HydrophobicContact CG-CD1 4.05Å; M180-F208 HydrophobicContact CG-CD2 4.41Å; M180-F208 HydrophobicContact CG-CE1 4.08Å; M180-F208 HydrophobicContact CG-CE2 4.44Å; M180-F208 HydrophobicContact CG-CG 4.21Å; M180-F208 HydrophobicContact CG-CZ 4.27Å; M180-F208 HydrophobicContact SD-CB 3.86Å; M180-F208 HydrophobicContact SD-CD1 4.06Å; M180-F208 HydrophobicContact SD-CD2 4.2Å; M180-F208 HydrophobicContact SD-CG 3.79Å; L191-F208 HydrophobicContact CD1-CD1 4.12Å; L191-F208 HydrophobicContact CD1-CE1 4.33Å; V204-F208 WeakPolarHBondContact O-CB 3.46Å; V204-F208 PolarHBondContact O-N 3.15Å; V205-F208 WeakPolarHBondContact O-CB 3.39Å; V205-F208 PolarHBondContact O-N 3.42Å; V205-F208 VanDerWaalsContact O-N 3.16Å; F208-W210 PolarHBondContact O-N 2.82Å |
| 209 | I | 94.8 | Very high | 90.7 | Very high | 6 Ų | 6 | 68.1 Ų | 68.1 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -74.2 | 128.4 | 174.5 | -61.7 | 176.4 | 0 | 0 | 0 | 110.6 | R114 I155 L191 I195 V205 F212 | R114-I209 PolarHBondContact NH1-O 2.9Å; R114-I209 VanDerWaalsContact NH1-O 3.07Å; I155-I209 HydrophobicContact CD1-CD1 4.47Å; I155-I209 HydrophobicContact CG1-CD1 4.49Å; L191-I209 HydrophobicContact CD2-CD1 3.79Å; L191-I209 HydrophobicContact CD2-CG1 4.28Å; L191-I209 HydrophobicContact CG-CD1 4.27Å; I195-I209 HydrophobicContact CD1-CD1 3.25Å; V205-I209 HydrophobicContact CG1-CD1 4.38Å; V205-I209 PolarHBondContact O-N 3.49Å; I209-F212 HydrophobicContact CG2-CE1 4.34Å; I209-F212 HydrophobicContact CG2-CE2 4.19Å; I209-F212 HydrophobicContact CG2-CZ 3.82Å |
| 210 | W | 94.9 | Very high | 89.9 | Confident | 60 Ų | 60 | 68.1 Ų | 68.1 | 23% | 0.227 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 139.5 | 171.1 | -160.5 | -79.2 | 0 | 0 | 0 | 110.1 | Q160 K162 R167 F208 F212 | Q160-W210 HydrophobicContact CB-CB 4.09Å; Q160-W210 WeakPolarHBondContact O-CB 3.14Å; Q160-W210 PolarHBondContact O-N 3.34Å; K162-W210 HydrophobicContact CB-CE3 3.73Å; K162-W210 HydrophobicContact CB-CZ3 4.25Å; K162-W210 HydrophobicContact CD-CE3 4.05Å; K162-W210 HydrophobicContact CD-CZ3 3.91Å; K162-W210 HydrophobicContact CG-CE3 3.72Å; K162-W210 HydrophobicContact CG-CZ3 3.7Å; R167-W210 HydrophobicContact CG-CD2 3.65Å; R167-W210 HydrophobicContact CG-CE3 3.68Å; R167-W210 HydrophobicContact CG-CG 4.01Å; R167-W210 HydrophobicContact CG-CZ3 4.11Å; R167-W210 VanDerWaalsContact NE-CD1 3.3Å; R167-W210 VanDerWaalsContact NH2-CZ2 3.27Å; R167-W210 VanDerWaalsContact NH2-NE1 3.2Å; F208-W210 PolarHBondContact O-N 2.82Å; W210-F212 PolarHBondContact O-N 2.98Å |
| 211 | P | 95.1 | Very high | 88.9 | Confident | 20 Ų | 20 | 60.3 Ų | 60.3 | 13% | 0.13 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -50.3 | 127.5 | 175.6 | -28.3 | 32.6 | 0 | 0 | 0 | 112.6 | R114 G121 K213 | R114-P211 HydrophobicContact CB-CG 3.52Å; G121-P211 CarbonylContact O-C 3.56Å; G121-P211 WeakPolarHBondContact O-CA 3.36Å; P211-K213 PolarHBondContact O-N 3.29Å |
| 212 | F | 95.7 | Very high | 87.9 | Confident | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 135.2 | -177 | -60.8 | -80.8 | 0 | 0 | 0 | 110.1 | F92 S120 G121 F123 L154 I155 R158 I209 W210 L214 | F92-F212 AromaticContact CE2-CD2 3.88Å; F92-F212 HydrophobicContact CE2-CD2 3.88Å; F92-F212 HydrophobicContact CE2-CE2 4.31Å; F92-F212 HydrophobicContact CZ-CD2 4.38Å; S120-F212 CarbonylContact C-O 3.56Å; S120-F212 WeakPolarHBondContact CA-O 3.24Å; G121-F212 PolarHBondContact N-O 3.49Å; G121-F212 PolarHBondContact O-N 2.81Å; F123-F212 AromaticContact CD2-CE2 3.72Å; F123-F212 HydrophobicContact CD2-CE2 3.72Å; F123-F212 HydrophobicContact CD2-CZ 4.24Å; F123-F212 AromaticContact CE2-CE2 3.33Å; F123-F212 HydrophobicContact CE2-CE2 3.33Å; F123-F212 AromaticContact CE2-CZ 3.53Å; F123-F212 HydrophobicContact CE2-CZ 3.53Å; F123-F212 AromaticContact CZ-CE2 3.94Å; F123-F212 HydrophobicContact CZ-CE2 3.94Å; F123-F212 HydrophobicContact CZ-CZ 4.2Å; L154-F212 HydrophobicContact CB-CD1 4.4Å; L154-F212 HydrophobicContact CB-CE1 4.11Å; L154-F212 HydrophobicContact CB-CZ 4.31Å; L154-F212 VanDerWaalsContact O-CE1 3.32Å; L154-F212 WeakPolarHBondContact O-CE1 3.4Å; I155-F212 HydrophobicContact CG1-CE1 4.43Å; I155-F212 HydrophobicContact CG1-CZ 4.01Å; R158-F212 HydrophobicContact CB-CD1 3.92Å; I209-F212 HydrophobicContact CG2-CE1 4.34Å; I209-F212 HydrophobicContact CG2-CE2 4.19Å; I209-F212 HydrophobicContact CG2-CZ 3.82Å; W210-F212 PolarHBondContact O-N 2.98Å; F212-L214 HydrophobicContact CB-CD2 4.03Å |
| 213 | K | 93 | Very high | 86.6 | Confident | 91 Ų | 91 | 69.1 Ų | 69.1 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 105.5 | 167.7 | -67.2 | 179.3 | -174.5 | 170.8 | 0 | 107.5 | R158 P211 | R158-K213 PolarHBondContact NH1-O 3.31Å; P211-K213 PolarHBondContact O-N 3.29Å |
| 214 | L | 92.1 | Very high | 85 | Confident | 15 Ų | 15 | 70.6 Ų | 70.6 | 8% | 0.079 | 35% | 0.347 | C | S | . | . | trans | -85.5 | 150.5 | 176.4 | -47.5 | 176.9 | 0 | 0 | 0 | 109.4 | F92 V94 F119 L154 F212 L248 | F92-L214 HydrophobicContact CE1-CD1 4.23Å; F92-L214 HydrophobicContact CZ-CD1 4.32Å; V94-L214 HydrophobicContact CB-CD1 4.46Å; V94-L214 HydrophobicContact CG1-CD1 3.8Å; V94-L214 HydrophobicContact CG2-CD1 3.74Å; F119-L214 HydrophobicContact CB-CB 4.39Å; F119-L214 VanDerWaalsContact O-CB 3.3Å; F119-L214 WeakPolarHBondContact O-CB 3.37Å; F119-L214 PolarHBondContact O-N 2.66Å; L154-L214 HydrophobicContact CD2-CD2 3.61Å; F212-L214 HydrophobicContact CB-CD2 4.03Å; L214-L248 HydrophobicContact CB-CB 3.8Å; L214-L248 HydrophobicContact CB-CD1 4.45Å; L214-L248 HydrophobicContact CD1-CB 4.1Å; L214-L248 HydrophobicContact CD1-CD1 3.93Å; L214-L248 HydrophobicContact CG-CB 4.47Å | ||
| 215 | S | 87.9 | Confident | 83.4 | Confident | 62 Ų | 62 | 72.7 Ų | 72.7 | 43% | 0.434 | 37% | 0.369 | S | S | . | . | trans | -105.2 | 155.9 | -179.9 | -167 | 0 | 0 | 0 | 0 | 110 | L248 | S215-L248 PolarHBondContact N-O 2.91Å; S215-L248 CarbonylContact O-C 3.51Å; S215-L248 VanDerWaalsContact O-CA 3.25Å; S215-L248 WeakPolarHBondContact O-CA 3.42Å; S215-L248 WeakPolarHBondContact O-CD2 3.29Å; S215-L248 VanDerWaalsContact O-O 3.12Å | ||
| 216 | V | 84.8 | Confident | 81.9 | Confident | 33 Ų | 33 | 75.3 Ų | 75.3 | 20% | 0.2 | 40% | 0.395 | C | S | . | . | trans | -113.4 | 141.1 | 171.4 | 178.9 | 0 | 0 | 0 | 0 | 108 | F119 R218 A220 L228 L248 | F119-V216 HydrophobicContact CD1-CG2 3.84Å; F119-V216 HydrophobicContact CD2-CG2 3.51Å; F119-V216 HydrophobicContact CE1-CG2 3.74Å; F119-V216 HydrophobicContact CE2-CG2 3.42Å; F119-V216 VanDerWaalsContact CE2-CG2 3.42Å; F119-V216 HydrophobicContact CG-CG2 3.74Å; F119-V216 HydrophobicContact CZ-CG2 3.54Å; V216-R218 PolarHBondContact O-N 2.9Å; V216-A220 HydrophobicContact CG1-CB 3.79Å; V216-L228 HydrophobicContact CG1-CD1 3.71Å; V216-L228 HydrophobicContact CG1-CD2 3.44Å; V216-L228 VanDerWaalsContact CG1-CD2 3.44Å; V216-L228 HydrophobicContact CG1-CG 4.23Å; V216-L248 HydrophobicContact CG2-CD2 3.78Å | ||
| 217 | A | 78.8 | Confident | 80.6 | Confident | 70 Ų | 70 | 75 Ų | 75 | 58% | 0.579 | 39% | 0.392 | S | S | * | . | trans | -58.1 | 137 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | H219 A220 | A217-H219 PolarHBondContact O-N 3.09Å; A217-H219 VanDerWaalsContact O-N 3.11Å; A217-A220 HydrophobicContact CB-CB 4.29Å; A217-A220 WeakPolarHBondContact O-CB 3.46Å; A217-A220 PolarHBondContact O-N 3.31Å; A217-A220 VanDerWaalsContact O-N 3.08Å | ||
| 218 | R | 69.5 | Low | 79.6 | Confident | 245 Ų | 245 | 71.2 Ų | 71.2 | 93% | 0.925 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -32.2 | -170.9 | -66 | -174.2 | -159.3 | -179.4 | 7.3 | 113.5 | V216 | V216-R218 PolarHBondContact O-N 2.9Š|
| 219 | H | 72.5 | Confident | 78.6 | Confident | 181 Ų | 181 | 76.2 Ų | 76.2 | 84% | 0.838 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | 16.3 | -177.4 | -58.3 | -67.9 | 0 | 0 | 0 | 113.7 | A217 A221 | A217-H219 PolarHBondContact O-N 3.09Å; A217-H219 VanDerWaalsContact O-N 3.11Å; H219-A221 PolarHBondContact O-N 2.92Å |
| 220 | A | 75.9 | Confident | 77.5 | Confident | 20 Ų | 20 | 80.5 Ų | 80.5 | 17% | 0.165 | 42% | 0.417 | C | S | . | . | trans | -64.3 | 129.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V216 A217 L228 | V216-A220 HydrophobicContact CG1-CB 3.79Å; A217-A220 HydrophobicContact CB-CB 4.29Å; A217-A220 WeakPolarHBondContact O-CB 3.46Å; A217-A220 PolarHBondContact O-N 3.31Å; A217-A220 VanDerWaalsContact O-N 3.08Å; A220-L228 HydrophobicContact CB-CD1 3.63Å; A220-L228 HydrophobicContact CB-CD2 3.61Å; A220-L228 HydrophobicContact CB-CG 3.74Å | ||
| 221 | A | 70.9 | Confident | 76.7 | Confident | 44 Ų | 44 | 78 Ų | 78 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | trans | -67.8 | 136.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | H219 L228 K229 | H219-A221 PolarHBondContact O-N 2.92Å; A221-L228 WeakPolarHBondContact O-CA 3.04Å; A221-K229 HydrophobicContact CB-CB 4.31Å; A221-K229 HydrophobicContact CB-CD 3.89Å; A221-K229 HydrophobicContact CB-CG 4.35Å; A221-K229 PolarHBondContact O-N 2.99Å | ||
| 222 | R | 75.5 | Confident | 76 | Confident | 180 Ų | 180 | 78 Ų | 78 | 68% | 0.679 | 41% | 0.412 | S | S | * | . | B | Isolated β-bridge | trans | -108.4 | 141.4 | 176.1 | -66.8 | -178.8 | -173.7 | 173.5 | 3.5 | 110.7 | L227 L228 | R222-L227 CarbonylContact C-O 3.56Å; R222-L227 WeakPolarHBondContact CA-O 3.29Å; R222-L228 HydrophobicContact CG-CD1 3.99Å |
| 223 | D | 68.9 | Low | 75.4 | Confident | 64 Ų | 64 | 82.7 Ų | 82.7 | 34% | 0.342 | 44% | 0.437 | S | S | . | . | trans | -72.6 | 166.9 | 169.9 | -77.8 | -36.6 | 0 | 0 | 0 | 112 | A225 G226 L227 K229 | D223-A225 PolarHBondContact O-N 3.24Å; D223-A225 VanDerWaalsContact O-N 3.08Å; D223-G226 WeakPolarHBondContact O-CA 3.19Å; D223-G226 PolarHBondContact O-N 3.25Å; D223-L227 HydrophobicContact CB-CB 4.47Å; D223-L227 PolarHBondContact N-O 2.89Å; D223-K229 WeakPolarHBondContact OD1-CE 3.48Å; D223-K229 WeakPolarHBondContact OD1-CG 3.24Å | ||
| 224 | K | 61 | Low | 75.3 | Confident | 229 Ų | 229 | 79.4 Ų | 79.4 | 100% | 0.996 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -27.8 | 170.9 | -65.6 | -177.3 | 179.8 | -180 | 0 | 112.5 | G226 | K224-G226 VanDerWaalsContact C-N 3.28Å; K224-G226 PolarHBondContact O-N 2.93Å |
| 225 | A | 59.6 | Low | 75.2 | Confident | 85 Ų | 85 | 78.8 Ų | 78.8 | 70% | 0.702 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | 1.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D223 L227 | D223-A225 PolarHBondContact O-N 3.24Å; D223-A225 VanDerWaalsContact O-N 3.08Å; A225-L227 PolarHBondContact O-N 3.42Å |
| 226 | G | 64.1 | Low | 75.4 | Confident | 54 Ų | 54 | 79.2 Ų | 79.2 | 56% | 0.557 | 42% | 0.424 | S | S | * | . | S | Bend | trans | 75.4 | 8.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D223 K224 | D223-G226 WeakPolarHBondContact O-CA 3.19Å; D223-G226 PolarHBondContact O-N 3.25Å; K224-G226 VanDerWaalsContact C-N 3.28Å; K224-G226 PolarHBondContact O-N 2.93Å |
| 227 | L | 69.1 | Low | 75.6 | Confident | 6 Ų | 6 | 81 Ų | 81 | 3% | 0.031 | 43% | 0.427 | C | S | . | . | trans | -82.7 | 148.3 | 177.6 | -168.8 | 59 | 0 | 0 | 0 | 110.5 | I96 R97 R222 D223 A225 K229 G232 | I96-L227 HydrophobicContact CB-CD1 4.41Å; I96-L227 HydrophobicContact CG2-CD1 3.29Å; R97-L227 HydrophobicContact CG-CD1 4.28Å; R222-L227 CarbonylContact C-O 3.56Å; R222-L227 WeakPolarHBondContact CA-O 3.29Å; D223-L227 HydrophobicContact CB-CB 4.47Å; D223-L227 PolarHBondContact N-O 2.89Å; A225-L227 PolarHBondContact O-N 3.42Å; L227-K229 PolarHBondContact O-N 3.28Å; L227-G232 VanDerWaalsContact CD2-C 3.44Å; L227-G232 WeakPolarHBondContact CD2-O 3.5Å; L227-G232 WeakPolarHBondContact CG-O 3.5Å | ||
| 228 | L | 73.1 | Confident | 76.1 | Confident | 12 Ų | 12 | 78.9 Ų | 78.9 | 6% | 0.063 | 41% | 0.412 | C | S | . | . | B | Isolated β-bridge | trans | -71.2 | 122.8 | 172.3 | -135.4 | 72.4 | 0 | 0 | 0 | 109.1 | V216 A220 A221 R222 D230 I231 G232 | V216-L228 HydrophobicContact CG1-CD1 3.71Å; V216-L228 HydrophobicContact CG1-CD2 3.44Å; V216-L228 VanDerWaalsContact CG1-CD2 3.44Å; V216-L228 HydrophobicContact CG1-CG 4.23Å; A220-L228 HydrophobicContact CB-CD1 3.63Å; A220-L228 HydrophobicContact CB-CD2 3.61Å; A220-L228 HydrophobicContact CB-CG 3.74Å; A221-L228 WeakPolarHBondContact O-CA 3.04Å; R222-L228 HydrophobicContact CG-CD1 3.99Å; L228-D230 PolarHBondContact O-N 3.44Å; L228-I231 HydrophobicContact CB-CB 4.03Å; L228-I231 HydrophobicContact CB-CD1 3.59Å; L228-I231 HydrophobicContact CB-CG1 3.82Å; L228-I231 HydrophobicContact CD2-CD1 3.45Å; L228-I231 VanDerWaalsContact CD2-CD1 3.45Å; L228-I231 HydrophobicContact CD2-CG1 3.8Å; L228-I231 HydrophobicContact CG-CD1 4.17Å; L228-I231 HydrophobicContact CG-CG1 4.45Å; L228-I231 PolarHBondContact O-N 2.92Å; L228-I231 VanDerWaalsContact O-N 3.12Å; L228-G232 PolarHBondContact O-N 3Å |
| 229 | K | 72.5 | Confident | 77.1 | Confident | 120 Ų | 120 | 71.9 Ų | 71.9 | 52% | 0.522 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -44.4 | 179.4 | -82.3 | -175.1 | -179.7 | -175.6 | 0 | 111.3 | A221 D223 L227 I231 G232 | A221-K229 HydrophobicContact CB-CB 4.31Å; A221-K229 HydrophobicContact CB-CD 3.89Å; A221-K229 HydrophobicContact CB-CG 4.35Å; A221-K229 PolarHBondContact O-N 2.99Å; D223-K229 WeakPolarHBondContact OD1-CE 3.48Å; D223-K229 WeakPolarHBondContact OD1-CG 3.24Å; L227-K229 PolarHBondContact O-N 3.28Å; K229-I231 VanDerWaalsContact C-N 3.32Å; K229-I231 PolarHBondContact O-N 2.93Å; K229-G232 PolarHBondContact O-N 3.49Å |
| 230 | D | 71.9 | Confident | 78 | Confident | 96 Ų | 96 | 68 Ų | 68 | 51% | 0.513 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -25.2 | -174.8 | -48.9 | -34.9 | 0 | 0 | 0 | 113.5 | L228 Q247 | L228-D230 PolarHBondContact O-N 3.44Å; D230-Q247 PolarHBondContact O-OE1 3.48Å |
| 231 | I | 77.9 | Confident | 78.8 | Confident | 6 Ų | 6 | 67 Ų | 67 | 3% | 0.031 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -31.6 | 177.5 | -62.2 | 171.8 | 0 | 0 | 0 | 110.6 | I96 F119 L228 K229 R237 I244 L248 | I96-I231 HydrophobicContact CD1-CG2 3.44Å; I96-I231 VanDerWaalsContact CD1-CG2 3.44Å; I96-I231 HydrophobicContact CG1-CG2 4.02Å; I96-I231 HydrophobicContact CG2-CG2 4.02Å; F119-I231 HydrophobicContact CE1-CD1 3.8Å; L228-I231 HydrophobicContact CB-CB 4.03Å; L228-I231 HydrophobicContact CB-CD1 3.59Å; L228-I231 HydrophobicContact CB-CG1 3.82Å; L228-I231 HydrophobicContact CD2-CD1 3.45Å; L228-I231 VanDerWaalsContact CD2-CD1 3.45Å; L228-I231 HydrophobicContact CD2-CG1 3.8Å; L228-I231 HydrophobicContact CG-CD1 4.17Å; L228-I231 HydrophobicContact CG-CG1 4.45Å; L228-I231 PolarHBondContact O-N 2.92Å; L228-I231 VanDerWaalsContact O-N 3.12Å; K229-I231 VanDerWaalsContact C-N 3.32Å; K229-I231 PolarHBondContact O-N 2.93Å; I231-R237 PolarHBondContact O-NH2 3.25Å; I231-I244 HydrophobicContact CG2-CD1 4.17Å; I231-I244 HydrophobicContact CG2-CG1 4.36Å; I231-I244 HydrophobicContact CG2-CG2 4.18Å; I231-L248 HydrophobicContact CD1-CD1 4.2Å; I231-L248 HydrophobicContact CD1-CD2 3.77Å; I231-L248 HydrophobicContact CD1-CG 4.3Å |
| 232 | G | 80.9 | Confident | 79.8 | Confident | 21 Ų | 21 | 65.7 Ų | 65.7 | 22% | 0.216 | 36% | 0.361 | C | S | . | . | trans | 64.2 | -161 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L227 L228 K229 | L227-G232 VanDerWaalsContact CD2-C 3.44Å; L227-G232 WeakPolarHBondContact CD2-O 3.5Å; L227-G232 WeakPolarHBondContact CG-O 3.5Å; L228-G232 PolarHBondContact O-N 3Å; K229-G232 PolarHBondContact O-N 3.49Å | ||
| 233 | N | 84.4 | Confident | 80.6 | Confident | 102 Ų | 102 | 60 Ų | 60 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | trans | -66.5 | 147.9 | -170.6 | -73.1 | -43.8 | 0 | 0 | 0 | 115.9 | R97 R237 | R97-N233 PolarHBondContact NH2-OD1 2.9Å; N233-R237 PolarHBondContact O-NE 2.92Å; N233-R237 PolarHBondContact O-NH2 3.48Å | ||
| 234 | P | 89.3 | Confident | 81.5 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 14% | 0.143 | 33% | 0.334 | C | S | . | . | trans | -63.1 | 161.6 | 167.3 | -22.8 | 36.5 | 0 | 0 | 0 | 112.1 | R97 E138 P139 | R97-P234 HydrophobicContact CG-CG 3.74Å; R97-P234 VanDerWaalsContact NE-CG 3.28Å; R97-P234 VanDerWaalsContact NH2-CD 3.34Å; E138-P234 WeakPolarHBondContact O-CB 3.29Å; P139-P234 WeakPolarHBondContact O-CG 3.46Å | ||
| 235 | G | 90.7 | Very high | 83 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 128 | -171.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E138 V141 A142 W143 R237 | E138-G235 PolarHBondContact O-N 2.94Å; V141-G235 PolarHBondContact O-N 3.28Å; A142-G235 VanDerWaalsContact CA-O 3.32Å; A142-G235 WeakPolarHBondContact CA-O 3.49Å; W143-G235 PolarHBondContact N-O 2.86Å; W143-G235 VanDerWaalsContact N-O 3.07Å; G235-R237 PolarHBondContact O-N 3.49Å |
| 236 | P | 91.1 | Very high | 84.5 | Confident | 70 Ų | 70 | 48.4 Ų | 48.4 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 125.1 | 175.4 | 27.7 | -33.2 | 0 | 0 | 0 | 110.2 | E138 W143 | E138-P236 WeakPolarHBondContact OE1-CD 3.43Å; W143-P236 HydrophobicContact CH2-CB 4.01Å; W143-P236 HydrophobicContact CZ2-CB 3.65Å; W143-P236 WeakPolarHBondContact O-CA 3.41Å |
| 237 | R | 90.2 | Very high | 85.5 | Confident | 71 Ų | 71 | 50.4 Ų | 50.4 | 27% | 0.268 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -3.9 | 178.8 | -63 | -55.2 | -161.9 | 138.4 | 13.9 | 113.7 | A142 W143 I231 N233 G235 T239 D240 I241 I244 | A142-R237 HydrophobicContact CB-CG 4.12Å; W143-R237 PolarHBondContact O-N 3.28Å; I231-R237 PolarHBondContact O-NH2 3.25Å; N233-R237 PolarHBondContact O-NE 2.92Å; N233-R237 PolarHBondContact O-NH2 3.48Å; G235-R237 PolarHBondContact O-N 3.49Å; R237-T239 PolarHBondContact O-N 2.99Å; R237-T239 VanDerWaalsContact O-N 3.16Å; R237-D240 HydrophobicContact CB-CB 4.37Å; R237-D240 WeakPolarHBondContact O-CB 3.33Å; R237-D240 PolarHBondContact O-N 2.86Å; R237-I241 HydrophobicContact CB-CB 4.39Å; R237-I244 HydrophobicContact CG-CD1 4.13Å |
| 238 | G | 89.4 | Confident | 86.3 | Confident | 26 Ų | 26 | 50.3 Ų | 50.3 | 27% | 0.268 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 55.3 | -122.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G144 F145 | G144-G238 CarbonylContact C-O 3.33Å; G144-G238 VanDerWaalsContact CA-O 3.26Å; G144-G238 WeakPolarHBondContact CA-O 3.41Å; F145-G238 PolarHBondContact N-O 3.5Å |
| 239 | T | 90.4 | Very high | 86.7 | Confident | 98 Ų | 98 | 51.6 Ų | 51.6 | 60% | 0.601 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -20.2 | 177.6 | 45.3 | 0 | 0 | 0 | 0 | 114.2 | R237 I241 N242 | R237-T239 PolarHBondContact O-N 2.99Å; R237-T239 VanDerWaalsContact O-N 3.16Å; T239-I241 PolarHBondContact O-N 3.07Å; T239-N242 WeakPolarHBondContact O-CB 3.38Å; T239-N242 PolarHBondContact O-N 3.47Å; T239-N242 PolarHBondContact O-ND2 2.93Å |
| 240 | D | 90.8 | Very high | 87.4 | Confident | 99 Ų | 99 | 48.2 Ų | 48.2 | 53% | 0.529 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -13.3 | -173.9 | -59.3 | -15.6 | 0 | 0 | 0 | 112.5 | R237 N242 S243 | R237-D240 HydrophobicContact CB-CB 4.37Å; R237-D240 WeakPolarHBondContact O-CB 3.33Å; R237-D240 PolarHBondContact O-N 2.86Å; D240-N242 PolarHBondContact O-N 3.2Å; D240-S243 PolarHBondContact O-N 2.87Å; D240-S243 PolarHBondContact O-OG 2.9Å |
| 241 | I | 92.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -54 | -27.9 | 171.1 | -164.6 | 62.8 | 0 | 0 | 0 | 111.8 | F92 A142 F145 R237 T239 S243 I244 I245 | F92-I241 HydrophobicContact CD1-CG1 4.28Å; A142-I241 HydrophobicContact CB-CD1 4.4Å; F145-I241 WeakPolarHBondContact O-CG2 3.49Å; R237-I241 HydrophobicContact CB-CB 4.39Å; T239-I241 PolarHBondContact O-N 3.07Å; I241-S243 VanDerWaalsContact C-N 3.31Å; I241-S243 PolarHBondContact O-N 3.21Å; I241-I244 HydrophobicContact CD1-CB 4.46Å; I241-I244 HydrophobicContact CD1-CD1 4.31Å; I241-I244 PolarHBondContact O-N 3.38Å; I241-I245 HydrophobicContact CG1-CD1 4.23Å; I241-I245 HydrophobicContact CG1-CG1 4.43Å; I241-I245 VanDerWaalsContact O-CG1 3.27Å; I241-I245 WeakPolarHBondContact O-CG1 3.2Å; I241-I245 PolarHBondContact O-N 3.23Å |
| 242 | N | 93.4 | Very high | 88.8 | Confident | 15 Ų | 15 | 47.9 Ų | 47.9 | 8% | 0.08 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.3 | -31.2 | 179.2 | -67.1 | -65 | 0 | 0 | 0 | 112.6 | F145 P146 N147 S150 T239 D240 R246 | F145-N242 PolarHBondContact O-ND2 3.35Å; F145-N242 VanDerWaalsContact O-ND2 3.13Å; P146-N242 WeakPolarHBondContact CA-OD1 3.47Å; N147-N242 PolarHBondContact N-OD1 2.97Å; N147-N242 PolarHBondContact ND2-OD1 3.41Å; S150-N242 WeakPolarHBondContact CB-OD1 3.5Å; S150-N242 PolarHBondContact OG-OD1 3.48Å; T239-N242 WeakPolarHBondContact O-CB 3.38Å; T239-N242 PolarHBondContact O-N 3.47Å; T239-N242 PolarHBondContact O-ND2 2.93Å; D240-N242 PolarHBondContact O-N 3.2Å; N242-R246 VanDerWaalsContact O-CG 3.26Å; N242-R246 WeakPolarHBondContact O-CG 3.43Å; N242-R246 PolarHBondContact O-N 2.82Å; N242-R246 VanDerWaalsContact O-N 3.12Å |
| 243 | S | 91.2 | Very high | 89.3 | Confident | 61 Ų | 61 | 49.5 Ų | 49.5 | 43% | 0.427 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70.3 | -42.9 | 174.2 | 84.6 | 0 | 0 | 0 | 0 | 110.4 | D240 I241 I245 R246 Q247 | D240-S243 PolarHBondContact O-N 2.87Å; D240-S243 PolarHBondContact O-OG 2.9Å; I241-S243 VanDerWaalsContact C-N 3.31Å; I241-S243 PolarHBondContact O-N 3.21Å; S243-I245 VanDerWaalsContact C-N 3.33Å; S243-I245 PolarHBondContact O-N 3.3Å; S243-R246 PolarHBondContact O-N 3.41Å; S243-R246 VanDerWaalsContact O-N 3.16Å; S243-Q247 WeakPolarHBondContact O-CG 3.42Å; S243-Q247 PolarHBondContact O-N 3.34Å |
| 244 | I | 89.1 | Confident | 89.6 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 176.9 | -62.7 | 173.6 | 0 | 0 | 0 | 110.6 | A142 I231 R237 I241 R246 Q247 L248 | A142-I244 HydrophobicContact CB-CD1 4.43Å; I231-I244 HydrophobicContact CG2-CD1 4.17Å; I231-I244 HydrophobicContact CG2-CG1 4.36Å; I231-I244 HydrophobicContact CG2-CG2 4.18Å; R237-I244 HydrophobicContact CG-CD1 4.13Å; I241-I244 HydrophobicContact CD1-CB 4.46Å; I241-I244 HydrophobicContact CD1-CD1 4.31Å; I241-I244 PolarHBondContact O-N 3.38Å; I244-R246 PolarHBondContact O-N 3Å; I244-Q247 PolarHBondContact O-N 3.42Å; I244-L248 HydrophobicContact CG2-CD1 3.63Å; I244-L248 HydrophobicContact CG2-CG 4.32Å; I244-L248 WeakPolarHBondContact O-CB 3.46Å; I244-L248 VanDerWaalsContact O-CG 3.26Å; I244-L248 WeakPolarHBondContact O-CG 3.29Å; I244-L248 PolarHBondContact O-N 3.39Å; I244-L248 VanDerWaalsContact O-N 3.08Å |
| 245 | I | 91.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.6 | -49.6 | 175.5 | -69.5 | 165.4 | 0 | 0 | 0 | 109.8 | F92 P146 L154 I241 S243 Q247 L248 N249 | F92-I245 HydrophobicContact CB-CD1 4.34Å; F92-I245 HydrophobicContact CD1-CD1 3.48Å; F92-I245 VanDerWaalsContact CD1-CD1 3.48Å; F92-I245 HydrophobicContact CD1-CG1 3.59Å; F92-I245 HydrophobicContact CE1-CD1 3.93Å; F92-I245 HydrophobicContact CE1-CG1 3.58Å; F92-I245 HydrophobicContact CG-CD1 4.06Å; P146-I245 HydrophobicContact CB-CD1 4.16Å; L154-I245 HydrophobicContact CD1-CD1 4.18Å; L154-I245 HydrophobicContact CD1-CG1 4.36Å; L154-I245 HydrophobicContact CD1-CG2 3.76Å; L154-I245 HydrophobicContact CD2-CG2 3.99Å; L154-I245 HydrophobicContact CG-CG2 3.73Å; I241-I245 HydrophobicContact CG1-CD1 4.23Å; I241-I245 HydrophobicContact CG1-CG1 4.43Å; I241-I245 VanDerWaalsContact O-CG1 3.27Å; I241-I245 WeakPolarHBondContact O-CG1 3.2Å; I241-I245 PolarHBondContact O-N 3.23Å; S243-I245 VanDerWaalsContact C-N 3.33Å; S243-I245 PolarHBondContact O-N 3.3Å; I245-Q247 VanDerWaalsContact C-N 3.33Å; I245-Q247 PolarHBondContact O-N 3.41Å; I245-L248 PolarHBondContact O-N 2.76Å; I245-N249 WeakPolarHBondContact O-CB 3.47Å; I245-N249 PolarHBondContact O-N 3.43Å |
| 246 | R | 90.1 | Very high | 89.5 | Confident | 129 Ų | 129 | 51 Ų | 51 | 49% | 0.487 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.4 | -36.7 | -178.4 | -72 | 171.2 | -175.1 | 175.7 | 3 | 113.2 | N242 S243 I244 L248 | N242-R246 VanDerWaalsContact O-CG 3.26Å; N242-R246 WeakPolarHBondContact O-CG 3.43Å; N242-R246 PolarHBondContact O-N 2.82Å; N242-R246 VanDerWaalsContact O-N 3.12Å; S243-R246 PolarHBondContact O-N 3.41Å; S243-R246 VanDerWaalsContact O-N 3.16Å; I244-R246 PolarHBondContact O-N 3Å; R246-L248 VanDerWaalsContact C-N 3.35Å |
| 247 | Q | 87.1 | Confident | 89.4 | Confident | 97 Ų | 97 | 49.5 Ų | 49.5 | 45% | 0.453 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69.3 | -33.1 | 176.8 | -73.3 | 175.6 | -8.1 | 0 | 0 | 112.9 | D230 S243 I244 I245 | D230-Q247 PolarHBondContact O-OE1 3.48Å; S243-Q247 WeakPolarHBondContact O-CG 3.42Å; S243-Q247 PolarHBondContact O-N 3.34Å; I244-Q247 PolarHBondContact O-N 3.42Å; I245-Q247 VanDerWaalsContact C-N 3.33Å; I245-Q247 PolarHBondContact O-N 3.41Å |
| 248 | L | 85.4 | Confident | 89.3 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -96.8 | -10.3 | -175.2 | -64.8 | 177.7 | 0 | 0 | 0 | 114 | V94 F119 L214 S215 V216 I231 I244 I245 R246 | V94-L248 HydrophobicContact CG1-CD1 4.17Å; F119-L248 HydrophobicContact CD1-CD1 4.32Å; F119-L248 HydrophobicContact CD1-CD2 4.29Å; L214-L248 HydrophobicContact CB-CB 3.8Å; L214-L248 HydrophobicContact CB-CD1 4.45Å; L214-L248 HydrophobicContact CD1-CB 4.1Å; L214-L248 HydrophobicContact CD1-CD1 3.93Å; L214-L248 HydrophobicContact CG-CB 4.47Å; S215-L248 PolarHBondContact N-O 2.91Å; S215-L248 CarbonylContact O-C 3.51Å; S215-L248 VanDerWaalsContact O-CA 3.25Å; S215-L248 WeakPolarHBondContact O-CA 3.42Å; S215-L248 WeakPolarHBondContact O-CD2 3.29Å; S215-L248 VanDerWaalsContact O-O 3.12Å; V216-L248 HydrophobicContact CG2-CD2 3.78Å; I231-L248 HydrophobicContact CD1-CD1 4.2Å; I231-L248 HydrophobicContact CD1-CD2 3.77Å; I231-L248 HydrophobicContact CD1-CG 4.3Å; I244-L248 HydrophobicContact CG2-CD1 3.63Å; I244-L248 HydrophobicContact CG2-CG 4.32Å; I244-L248 WeakPolarHBondContact O-CB 3.46Å; I244-L248 VanDerWaalsContact O-CG 3.26Å; I244-L248 WeakPolarHBondContact O-CG 3.29Å; I244-L248 PolarHBondContact O-N 3.39Å; I244-L248 VanDerWaalsContact O-N 3.08Å; I245-L248 PolarHBondContact O-N 2.76Å; R246-L248 VanDerWaalsContact C-N 3.35Å |
| 249 | N | 80.8 | Confident | 89.3 | Confident | 40 Ų | 40 | 49.7 Ų | 49.7 | 21% | 0.214 | 26% | 0.258 | C | S | . | . | trans | -84 | 0 | -177.6 | -165 | 26.9 | 0 | 0 | 0 | 112.9 | E153 R158 I245 | E153-N249 PolarHBondContact O-ND2 3.22Å; R158-N249 WeakPolarHBondContact CD-OD1 3.32Å; R158-N249 WeakPolarHBondContact CG-OD1 3.41Å; R158-N249 PolarHBondContact NE-OD1 3.42Å; R158-N249 VanDerWaalsContact NE-OD1 3.08Å; R158-N249 PolarHBondContact NE-OXT 3.33Å; R158-N249 PolarHBondContact NH2-OXT 3.25Å; I245-N249 WeakPolarHBondContact O-CB 3.47Å; I245-N249 PolarHBondContact O-N 3.43Å |
Retrieved 249 of 249 residues in 1635.9 ms
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