| 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 | 21 | Very low | 31 | Very low | 233 Ų | 233 | 127.2 Ų | 127.2 | 100% | 1.148 | 71% | 0.71 | S | S | * | * | 0 | 125.8 | 0 | -68.5 | -172.7 | -174.3 | 0 | 0 | 107.4 | L3 | M1-L3 PolarHBondContact O-N 3.47Š| |||
| 2 | P | 26.6 | Very low | 32.8 | Very low | 126 Ų | 126 | 119.5 Ų | 119.5 | 82% | 0.818 | 67% | 0.671 | S | S | * | * | trans | -83.1 | 121.8 | -178.2 | 24.8 | -16.8 | 0 | 0 | 0 | 110.3 | Q4 | P2-Q4 PolarHBondContact O-N 3.39Š| ||
| 3 | L | 26.1 | Very low | 34.6 | Very low | 114 Ų | 114 | 117.5 Ų | 117.5 | 60% | 0.597 | 66% | 0.658 | S | S | * | * | trans | -79.4 | 97.8 | 173.2 | -79.1 | 151.7 | 0 | 0 | 0 | 108.6 | M1 | M1-L3 PolarHBondContact O-N 3.47Š| ||
| 4 | Q | 26.1 | Very low | 37.1 | Very low | 175 Ų | 175 | 120.1 Ų | 120.1 | 82% | 0.818 | 66% | 0.663 | S | S | * | * | trans | -79.6 | 117 | 149.9 | -90.2 | -174.4 | -14.9 | 0 | 0 | 107.7 | P2 | P2-Q4 PolarHBondContact O-N 3.39Š| ||
| 5 | S | 28.5 | Very low | 40.1 | Very low | 62 Ų | 62 | 115.5 Ų | 115.5 | 43% | 0.434 | 64% | 0.639 | S | S | . | * | trans | 179.4 | 124 | 133.9 | 54.1 | 0 | 0 | 0 | 0 | 109.8 | L7 | S5-L7 VanDerWaalsContact C-N 3.26Å; S5-L7 PolarHBondContact O-N 3.24Å; S5-L7 VanDerWaalsContact OG-CD2 3.32Å; S5-L7 WeakPolarHBondContact OG-CD2 3.39Å; S5-L7 WeakPolarHBondContact OG-CG 3.32Å | ||
| 6 | T | 32 | Very low | 43.3 | Very low | 97 Ų | 97 | 112.5 Ų | 112.5 | 60% | 0.595 | 62% | 0.624 | S | S | * | * | trans | -47 | 101.1 | 137.7 | 28.4 | 0 | 0 | 0 | 0 | 107.4 | S8 F378 | T6-S8 PolarHBondContact O-N 2.94Å; T6-F378 HydrophobicContact CG2-CE1 4.32Å | ||
| 7 | L | 36.8 | Very low | 46.2 | Very low | 52 Ų | 52 | 109.4 Ų | 109.4 | 27% | 0.272 | 61% | 0.606 | S | S | . | * | trans | -78.6 | 74.2 | 175.5 | -75.9 | 167.8 | 0 | 0 | 0 | 107.9 | S5 G9 R10 | S5-L7 VanDerWaalsContact C-N 3.26Å; S5-L7 PolarHBondContact O-N 3.24Å; S5-L7 VanDerWaalsContact OG-CD2 3.32Å; S5-L7 WeakPolarHBondContact OG-CD2 3.39Å; S5-L7 WeakPolarHBondContact OG-CG 3.32Å; L7-G9 PolarHBondContact O-N 3.14Å; L7-G9 VanDerWaalsContact O-N 3.11Å; L7-R10 HydrophobicContact CD2-CB 4.15Å; L7-R10 HydrophobicContact CD2-CG 4.29Å | ||
| 8 | S | 33.2 | Very low | 48.6 | Very low | 117 Ų | 117 | 105.1 Ų | 105.1 | 82% | 0.818 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -73 | 97.7 | 158 | 54.2 | 0 | 0 | 0 | 0 | 107.9 | T6 | T6-S8 PolarHBondContact O-N 2.94Š|
| 9 | G | 35.9 | Very low | 50.9 | Low | 75 Ų | 75 | 100.1 Ų | 100.1 | 77% | 0.773 | 56% | 0.557 | S | S | * | * | S | Bend | trans | 73.5 | 34.5 | 157.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | L7 | L7-G9 PolarHBondContact O-N 3.14Å; L7-G9 VanDerWaalsContact O-N 3.11Å |
| 10 | R | 33.9 | Very low | 52.9 | Low | 207 Ų | 207 | 104.3 Ų | 104.3 | 78% | 0.781 | 56% | 0.564 | S | S | * | * | trans | -78.7 | 123.4 | 159.4 | -80.7 | -173 | 176.5 | 175.7 | 0.8 | 109 | L7 S12 | L7-R10 HydrophobicContact CD2-CB 4.15Å; L7-R10 HydrophobicContact CD2-CG 4.29Å; R10-S12 PolarHBondContact O-N 3.23Å | ||
| 11 | N | 41.4 | Very low | 54.7 | Low | 141 Ų | 141 | 102.1 Ų | 102.1 | 75% | 0.754 | 55% | 0.552 | S | S | * | * | trans | -31.3 | 102.6 | 178.2 | -81.6 | -13.4 | 0 | 0 | 0 | 112.8 | N13 Q14 | N11-N13 PolarHBondContact O-N 2.8Å; N11-Q14 PolarHBondContact O-N 2.94Å; N11-Q14 VanDerWaalsContact O-N 3.17Å | ||
| 12 | S | 51.8 | Low | 58.1 | Low | 35 Ų | 35 | 93 Ų | 93 | 25% | 0.245 | 52% | 0.518 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -10.5 | 174.3 | 48.3 | 0 | 0 | 0 | 0 | 113.4 | R10 D363 | R10-S12 PolarHBondContact O-N 3.23Å; S12-D363 WeakPolarHBondContact CB-OD2 3.3Å; S12-D363 VanDerWaalsContact OG-CG 3.23Å; S12-D363 PolarHBondContact OG-OD1 3.19Å; S12-D363 PolarHBondContact OG-OD2 3.19Å |
| 13 | N | 56.5 | Low | 61.4 | Low | 94 Ų | 94 | 89.8 Ų | 89.8 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -3.5 | 176.8 | -76.3 | -27 | 0 | 0 | 0 | 115.3 | N11 V15 R111 | N11-N13 PolarHBondContact O-N 2.8Å; N13-V15 PolarHBondContact O-N 3.21Å; N13-R111 PolarHBondContact OD1-NH2 2.82Å |
| 14 | Q | 69.4 | Low | 64.7 | Low | 154 Ų | 154 | 85.8 Ų | 85.8 | 72% | 0.72 | 47% | 0.472 | S | S | * | . | trans | -73.6 | 114.2 | 175.1 | -168.9 | 173.4 | 8.8 | 0 | 0 | 110.2 | N11 | N11-Q14 PolarHBondContact O-N 2.94Å; N11-Q14 VanDerWaalsContact O-N 3.17Å | ||
| 15 | V | 81.9 | Confident | 68 | Low | 51 Ų | 51 | 77.8 Ų | 77.8 | 31% | 0.309 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 131.8 | 176.7 | -169.9 | 0 | 0 | 0 | 0 | 109.7 | N13 W137 D139 | N13-V15 PolarHBondContact O-N 3.21Å; V15-W137 WeakPolarHBondContact CA-O 3.25Å; V15-W137 HydrophobicContact CG1-CB 4.39Å; V15-W137 HydrophobicContact CG2-CB 4.15Å; V15-D139 HydrophobicContact CG1-CB 3.58Å |
| 16 | V | 91.9 | Very high | 71.2 | Confident | 67 Ų | 67 | 78.2 Ų | 78.2 | 41% | 0.406 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 131.5 | 179 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | W137 L138 D139 | V16-W137 PolarHBondContact N-O 3.48Å; V16-L138 HydrophobicContact CB-CD1 4.39Å; V16-L138 HydrophobicContact CG1-CD1 4.44Å; V16-L138 CarbonylContact O-C 3.55Å; V16-L138 WeakPolarHBondContact O-CA 3.45Å; V16-D139 PolarHBondContact O-N 3.47Å |
| 17 | N | 92.9 | Very high | 74.3 | Confident | 59 Ų | 59 | 78.6 Ų | 78.6 | 32% | 0.316 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 134.3 | 176.4 | -58.9 | -31.4 | 0 | 0 | 0 | 110.5 | G22 | N17-G22 PolarHBondContact ND2-O 3.34Å |
| 18 | S | 89.8 | Confident | 77.2 | Confident | 33 Ų | 33 | 76.7 Ų | 76.7 | 23% | 0.231 | 42% | 0.415 | C | S | . | . | trans | -85.1 | -11.2 | -177 | 91.1 | 0 | 0 | 0 | 0 | 114.9 | D139 V140 | S18-D139 VanDerWaalsContact CB-O 3.23Å; S18-D139 WeakPolarHBondContact CB-O 3.44Å; S18-D139 PolarHBondContact N-O 2.57Å; S18-D139 PolarHBondContact OG-O 2.88Å; S18-V140 WeakPolarHBondContact OG-CA 3.26Å | ||
| 19 | Q | 92.3 | Very high | 80.2 | Confident | 9 Ų | 9 | 73.2 Ų | 73.2 | 4% | 0.042 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -68.4 | 142.9 | -175.7 | -72.3 | -70.2 | -86.2 | 0 | 0 | 111.8 | D21 G22 L28 D43 V141 | Q19-D21 PolarHBondContact O-N 3.03Å; Q19-G22 WeakPolarHBondContact O-CA 3.35Å; Q19-G22 PolarHBondContact O-N 3.31Å; Q19-L28 HydrophobicContact CG-CD1 3.78Å; Q19-D43 PolarHBondContact NE2-OD2 2.99Å; Q19-V141 HydrophobicContact CG-CB 4.1Å; Q19-V141 HydrophobicContact CG-CG2 4.24Å |
| 20 | W | 90.1 | Very high | 83.1 | Confident | 184 Ų | 184 | 73.3 Ų | 73.3 | 70% | 0.697 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -32.4 | -176.3 | 76 | -82.6 | 0 | 0 | 0 | 113.5 | G22 D43 | W20-G22 VanDerWaalsContact C-N 3.33Å; W20-D43 WeakPolarHBondContact CB-OD1 3.47Å; W20-D43 PolarHBondContact N-OD2 3.22Å |
| 21 | D | 91.3 | Very high | 86.1 | Confident | 60 Ų | 60 | 66.2 Ų | 66.2 | 32% | 0.321 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 0.6 | 177.8 | 68.8 | -1.9 | 0 | 0 | 0 | 113.2 | Q19 K23 | Q19-D21 PolarHBondContact O-N 3.03Å; D21-K23 VanDerWaalsContact C-N 3.26Å; D21-K23 PolarHBondContact O-N 3.28Å; D21-K23 WeakPolarHBondContact OD1-CB 3.35Å; D21-K23 WeakPolarHBondContact OD1-CG 3.49Å; D21-K23 PolarHBondContact OD1-N 3.08Å; D21-K23 VanDerWaalsContact OD1-N 3.1Å; D21-K23 WeakPolarHBondContact OD2-CD 3.27Å; D21-K23 WeakPolarHBondContact OD2-CE 3.36Å; D21-K23 WeakPolarHBondContact OD2-CG 3.35Å; D21-K23 IonicContact OD2-NZ 2.7Å |
| 22 | G | 92.6 | Very high | 88.7 | Confident | 41 Ų | 41 | 60.1 Ų | 60.1 | 42% | 0.423 | 31% | 0.308 | S | S | . | . | trans | 75.1 | 4.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | N17 Q19 W20 | N17-G22 PolarHBondContact ND2-O 3.34Å; Q19-G22 WeakPolarHBondContact O-CA 3.35Å; Q19-G22 PolarHBondContact O-N 3.31Å; W20-G22 VanDerWaalsContact C-N 3.33Å | ||
| 23 | K | 94.5 | Very high | 90.9 | Very high | 58 Ų | 58 | 61.8 Ų | 61.8 | 25% | 0.252 | 31% | 0.314 | S | S | . | . | trans | -67.9 | 147.8 | -179.7 | -68.6 | -176.9 | -170.6 | -179.5 | 0 | 112.1 | D21 Q27 L28 E31 | D21-K23 VanDerWaalsContact C-N 3.26Å; D21-K23 PolarHBondContact O-N 3.28Å; D21-K23 WeakPolarHBondContact OD1-CB 3.35Å; D21-K23 WeakPolarHBondContact OD1-CG 3.49Å; D21-K23 PolarHBondContact OD1-N 3.08Å; D21-K23 VanDerWaalsContact OD1-N 3.1Å; D21-K23 WeakPolarHBondContact OD2-CD 3.27Å; D21-K23 WeakPolarHBondContact OD2-CE 3.36Å; D21-K23 WeakPolarHBondContact OD2-CG 3.35Å; D21-K23 IonicContact OD2-NZ 2.7Å; K23-Q27 HydrophobicContact CB-CB 4.4Å; K23-L28 HydrophobicContact CB-CD1 4.39Å; K23-L28 HydrophobicContact CB-CD2 4.14Å; K23-L28 HydrophobicContact CB-CG 3.96Å; K23-L28 HydrophobicContact CD-CD2 3.7Å; K23-L28 HydrophobicContact CD-CG 4.34Å; K23-E31 WeakPolarHBondContact CE-OE1 3.26Å; K23-E31 VanDerWaalsContact NZ-CD 3.28Å; K23-E31 IonicContact NZ-OE1 3.18Å; K23-E31 PolarHBondContact NZ-OE1 2.89Å; K23-E31 IonicContact NZ-OE2 2.59Å; K23-E31 PolarHBondContact NZ-OE2 3.48Å | ||
| 24 | S | 95.8 | Very high | 92.8 | Very high | 30 Ų | 30 | 64.9 Ų | 64.9 | 21% | 0.21 | 33% | 0.325 | C | S | . | . | trans | -81.8 | 162.2 | 173.7 | 69.9 | 0 | 0 | 0 | 0 | 112.1 | E26 Q27 L28 | S24-E26 VanDerWaalsContact C-N 3.27Å; S24-E26 PolarHBondContact O-N 3.37Å; S24-Q27 PolarHBondContact O-N 2.98Å; S24-Q27 WeakPolarHBondContact OG-CG 3.36Å; S24-Q27 PolarHBondContact OG-N 3.27Å; S24-L28 PolarHBondContact O-N 2.99Å; S24-L28 VanDerWaalsContact O-N 3.12Å | ||
| 25 | F | 96.3 | Very high | 94.1 | Very high | 7 Ų | 7 | 64.3 Ų | 64.3 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -46.6 | -50 | 169.4 | 168.4 | -111.7 | 0 | 0 | 0 | 112.2 | Q27 L28 R29 Q117 I126 H128 V141 | F25-Q27 PolarHBondContact O-N 3.46Å; F25-L28 PolarHBondContact O-N 3Å; F25-R29 VanDerWaalsContact O-CB 3.3Å; F25-R29 WeakPolarHBondContact O-CB 3.07Å; F25-R29 PolarHBondContact O-N 3.48Å; F25-Q117 HydrophobicContact CZ-CB 4.5Å; F25-I126 HydrophobicContact CD2-CD1 4.11Å; F25-I126 HydrophobicContact CD2-CG1 3.87Å; F25-I126 HydrophobicContact CE2-CB 4.41Å; F25-I126 HydrophobicContact CE2-CD1 4.46Å; F25-I126 HydrophobicContact CE2-CG1 3.88Å; F25-I126 HydrophobicContact CE2-CG2 4.05Å; F25-H128 HydrophobicContact CB-CB 3.99Å; F25-H128 AromaticContact CD1-CD2 3.64Å; F25-H128 AromaticContact CD1-NE2 3.76Å; F25-H128 HydrophobicContact CD2-CB 3.85Å; F25-H128 AromaticContact CD2-CD2 3.95Å; F25-H128 AromaticContact CD2-CG 3.97Å; F25-H128 AromaticContact CE1-CD2 3.8Å; F25-H128 AromaticContact CE1-NE2 3.97Å; F25-H128 HydrophobicContact CG-CB 3.95Å; F25-H128 AromaticContact CG-CD2 3.71Å; F25-H128 AromaticContact CG-CG 3.69Å; F25-V141 HydrophobicContact CB-CG2 3.94Å |
| 26 | E | 95.3 | Very high | 94.8 | Very high | 72 Ų | 72 | 65.3 Ų | 65.3 | 34% | 0.336 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | -176.8 | -173.6 | 57.1 | -156.8 | 0 | 0 | 112.5 | S24 R29 Q30 | S24-E26 VanDerWaalsContact C-N 3.27Å; S24-E26 PolarHBondContact O-N 3.37Å; E26-R29 PolarHBondContact O-N 2.89Å; E26-R29 IonicContact OE1-NE 2.65Å; E26-R29 IonicContact OE1-NH2 3.93Å; E26-R29 PolarHBondContact OE1-NH2 3.43Å; E26-R29 IonicContact OE2-CZ 2.72Å; E26-R29 IonicContact OE2-NE 2.64Å; E26-R29 PolarHBondContact OE2-NE 3.31Å; E26-R29 VanDerWaalsContact OE2-NE 3.08Å; E26-R29 IonicContact OE2-NH2 2.71Å; E26-R29 PolarHBondContact OE2-NH2 3.06Å; E26-Q30 HydrophobicContact CG-CG 4.38Å; E26-Q30 WeakPolarHBondContact O-CB 3.41Å; E26-Q30 VanDerWaalsContact O-CG 3.23Å; E26-Q30 WeakPolarHBondContact O-CG 3.49Å; E26-Q30 PolarHBondContact O-N 2.92Å; E26-Q30 WeakPolarHBondContact OE1-CG 3.45Å; E26-Q30 PolarHBondContact OE1-NE2 2.88Å |
| 27 | Q | 96.5 | Very high | 95.1 | Very high | 105 Ų | 105 | 65.8 Ų | 65.8 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 177.5 | -72.3 | 172.9 | -35.8 | 0 | 0 | 111.1 | K23 S24 F25 Q30 E31 | K23-Q27 HydrophobicContact CB-CB 4.4Å; S24-Q27 PolarHBondContact O-N 2.98Å; S24-Q27 WeakPolarHBondContact OG-CG 3.36Å; S24-Q27 PolarHBondContact OG-N 3.27Å; F25-Q27 PolarHBondContact O-N 3.46Å; Q27-Q30 PolarHBondContact O-N 2.95Å; Q27-E31 WeakPolarHBondContact O-CG 3.48Å; Q27-E31 PolarHBondContact O-N 2.67Å |
| 28 | L | 97 | Very high | 95.3 | Very high | 11 Ų | 11 | 66.5 Ų | 66.5 | 6% | 0.058 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 178.8 | -69.7 | 173.4 | 0 | 0 | 0 | 112.1 | Q19 K23 S24 F25 E31 C32 F39 I126 V141 | Q19-L28 HydrophobicContact CG-CD1 3.78Å; K23-L28 HydrophobicContact CB-CD1 4.39Å; K23-L28 HydrophobicContact CB-CD2 4.14Å; K23-L28 HydrophobicContact CB-CG 3.96Å; K23-L28 HydrophobicContact CD-CD2 3.7Å; K23-L28 HydrophobicContact CD-CG 4.34Å; S24-L28 PolarHBondContact O-N 2.99Å; S24-L28 VanDerWaalsContact O-N 3.12Å; F25-L28 PolarHBondContact O-N 3Å; L28-E31 PolarHBondContact O-N 3.07Å; L28-C32 PolarHBondContact O-N 2.91Å; L28-C32 PolarHBondContact O-SG 2.74Å; L28-F39 HydrophobicContact CB-CE2 4.43Å; L28-F39 HydrophobicContact CD1-CE2 4.09Å; L28-F39 HydrophobicContact CD1-CZ 4.08Å; L28-F39 HydrophobicContact CD2-CE2 4.18Å; L28-F39 HydrophobicContact CG-CE2 4.48Å; L28-I126 HydrophobicContact CB-CD1 3.54Å; L28-I126 HydrophobicContact CD1-CD1 4.38Å; L28-V141 HydrophobicContact CD1-CG1 4.14Å |
| 29 | R | 96.4 | Very high | 95.7 | Very high | 45 Ų | 45 | 65.6 Ų | 65.6 | 17% | 0.17 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.7 | -49.1 | 176 | -174.1 | 174.4 | 75.1 | 168.8 | 2.1 | 111.2 | F25 E26 E31 C32 L33 D116 A124 I126 | F25-R29 VanDerWaalsContact O-CB 3.3Å; F25-R29 WeakPolarHBondContact O-CB 3.07Å; F25-R29 PolarHBondContact O-N 3.48Å; E26-R29 PolarHBondContact O-N 2.89Å; E26-R29 IonicContact OE1-NE 2.65Å; E26-R29 IonicContact OE1-NH2 3.93Å; E26-R29 PolarHBondContact OE1-NH2 3.43Å; E26-R29 IonicContact OE2-CZ 2.72Å; E26-R29 IonicContact OE2-NE 2.64Å; E26-R29 PolarHBondContact OE2-NE 3.31Å; E26-R29 VanDerWaalsContact OE2-NE 3.08Å; E26-R29 IonicContact OE2-NH2 2.71Å; E26-R29 PolarHBondContact OE2-NH2 3.06Å; R29-E31 PolarHBondContact O-N 2.78Å; R29-C32 PolarHBondContact O-N 3.4Å; R29-L33 HydrophobicContact CG-CD1 4.04Å; R29-L33 VanDerWaalsContact O-CG 3.3Å; R29-L33 WeakPolarHBondContact O-CG 3.48Å; R29-L33 PolarHBondContact O-N 3.45Å; R29-D116 PolarHBondContact NH1-O 3.12Å; R29-A124 HydrophobicContact CG-CB 4.28Å; R29-I126 HydrophobicContact CB-CG2 3.96Å; R29-I126 HydrophobicContact CG-CG2 3.96Å |
| 30 | Q | 96.5 | Very high | 96 | Very high | 76 Ų | 76 | 71.1 Ų | 71.1 | 36% | 0.355 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 178.8 | -69.9 | -60.6 | -27.7 | 0 | 0 | 112.4 | E26 Q27 C32 L33 Q34 | E26-Q30 HydrophobicContact CG-CG 4.38Å; E26-Q30 WeakPolarHBondContact O-CB 3.41Å; E26-Q30 VanDerWaalsContact O-CG 3.23Å; E26-Q30 WeakPolarHBondContact O-CG 3.49Å; E26-Q30 PolarHBondContact O-N 2.92Å; E26-Q30 WeakPolarHBondContact OE1-CG 3.45Å; E26-Q30 PolarHBondContact OE1-NE2 2.88Å; Q27-Q30 PolarHBondContact O-N 2.95Å; Q30-C32 VanDerWaalsContact C-N 3.32Å; Q30-C32 PolarHBondContact O-N 3.06Å; Q30-L33 PolarHBondContact O-N 2.95Å; Q30-Q34 WeakPolarHBondContact O-CB 3.26Å; Q30-Q34 VanDerWaalsContact O-CG 3.22Å; Q30-Q34 WeakPolarHBondContact O-CG 3.41Å; Q30-Q34 PolarHBondContact O-N 2.95Å |
| 31 | E | 97 | Very high | 96.3 | Very high | 59 Ų | 59 | 62.5 Ų | 62.5 | 28% | 0.276 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 175 | -76.8 | -178.1 | -156 | 0 | 0 | 112.3 | K23 Q27 L28 R29 K35 | K23-E31 WeakPolarHBondContact CE-OE1 3.26Å; K23-E31 VanDerWaalsContact NZ-CD 3.28Å; K23-E31 IonicContact NZ-OE1 3.18Å; K23-E31 PolarHBondContact NZ-OE1 2.89Å; K23-E31 IonicContact NZ-OE2 2.59Å; K23-E31 PolarHBondContact NZ-OE2 3.48Å; Q27-E31 WeakPolarHBondContact O-CG 3.48Å; Q27-E31 PolarHBondContact O-N 2.67Å; L28-E31 PolarHBondContact O-N 3.07Å; R29-E31 PolarHBondContact O-N 2.78Å; E31-K35 WeakPolarHBondContact O-CB 3.3Å; E31-K35 VanDerWaalsContact O-CG 3.29Å; E31-K35 WeakPolarHBondContact O-CG 3.5Å; E31-K35 PolarHBondContact O-N 2.9Å; E31-K35 VanDerWaalsContact O-N 3.15Å |
| 32 | C | 97.3 | Very high | 96.6 | Very high | 12 Ų | 12 | 63.4 Ų | 63.4 | 8% | 0.081 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.5 | -45.6 | 178 | -67.8 | 0 | 0 | 0 | 0 | 111.7 | L28 R29 Q30 Q34 K35 G36 V37 A124 | L28-C32 PolarHBondContact O-N 2.91Å; L28-C32 PolarHBondContact O-SG 2.74Å; R29-C32 PolarHBondContact O-N 3.4Å; Q30-C32 VanDerWaalsContact C-N 3.32Å; Q30-C32 PolarHBondContact O-N 3.06Å; C32-Q34 PolarHBondContact O-N 3.47Å; C32-K35 PolarHBondContact O-N 3.39Å; C32-G36 PolarHBondContact O-N 3.33Å; C32-V37 WeakPolarHBondContact CB-O 3.27Å; C32-V37 PolarHBondContact O-N 3.01Å; C32-V37 VanDerWaalsContact O-N 3.13Å; C32-A124 HydrophobicContact CB-CB 3.77Å |
| 33 | L | 96.5 | Very high | 96.7 | Very high | 71 Ų | 71 | 64.2 Ų | 64.2 | 37% | 0.372 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 176.9 | -70.2 | 171.9 | 0 | 0 | 0 | 112.1 | R29 Q30 K35 G36 A124 | R29-L33 HydrophobicContact CG-CD1 4.04Å; R29-L33 VanDerWaalsContact O-CG 3.3Å; R29-L33 WeakPolarHBondContact O-CG 3.48Å; R29-L33 PolarHBondContact O-N 3.45Å; Q30-L33 PolarHBondContact O-N 2.95Å; L33-K35 VanDerWaalsContact C-N 3.32Å; L33-K35 PolarHBondContact O-N 2.82Å; L33-G36 PolarHBondContact O-N 3.35Å; L33-A124 HydrophobicContact CD2-CB 3.99Å; L33-A124 HydrophobicContact CG-CB 4.03Å |
| 34 | Q | 97.1 | Very high | 96.9 | Very high | 158 Ų | 158 | 61.7 Ų | 61.7 | 74% | 0.738 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.7 | -36.2 | 177.7 | -74.1 | 173.7 | 15 | 0 | 0 | 112.7 | Q30 C32 | Q30-Q34 WeakPolarHBondContact O-CB 3.26Å; Q30-Q34 VanDerWaalsContact O-CG 3.22Å; Q30-Q34 WeakPolarHBondContact O-CG 3.41Å; Q30-Q34 PolarHBondContact O-N 2.95Å; C32-Q34 PolarHBondContact O-N 3.47Å |
| 35 | K | 97.1 | Very high | 96.9 | Very high | 143 Ų | 143 | 62.8 Ų | 62.8 | 62% | 0.622 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -83.1 | -13.9 | 178.6 | -70.4 | 171.8 | -173.2 | 167.8 | 0 | 113.1 | E31 C32 L33 V37 | E31-K35 WeakPolarHBondContact O-CB 3.3Å; E31-K35 VanDerWaalsContact O-CG 3.29Å; E31-K35 WeakPolarHBondContact O-CG 3.5Å; E31-K35 PolarHBondContact O-N 2.9Å; E31-K35 VanDerWaalsContact O-N 3.15Å; C32-K35 PolarHBondContact O-N 3.39Å; L33-K35 VanDerWaalsContact C-N 3.32Å; L33-K35 PolarHBondContact O-N 2.82Å; K35-V37 VanDerWaalsContact C-N 3.3Å; K35-V37 HydrophobicContact CB-CG1 4.32Å; K35-V37 HydrophobicContact CB-CG2 3.86Å |
| 36 | G | 96.3 | Very high | 97 | Very high | 71 Ų | 71 | 64 Ų | 64 | 73% | 0.732 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 30.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | C32 L33 | C32-G36 PolarHBondContact O-N 3.33Å; L33-G36 PolarHBondContact O-N 3.35Å |
| 37 | V | 97.7 | Very high | 96.9 | Very high | 77 Ų | 77 | 62.3 Ų | 62.3 | 47% | 0.467 | 34% | 0.341 | S | S | . | . | trans | -117.5 | 156.1 | 179.8 | -58.7 | 0 | 0 | 0 | 0 | 110.3 | C32 K35 | C32-V37 WeakPolarHBondContact CB-O 3.27Å; C32-V37 PolarHBondContact O-N 3.01Å; C32-V37 VanDerWaalsContact O-N 3.13Å; K35-V37 VanDerWaalsContact C-N 3.3Å; K35-V37 HydrophobicContact CB-CG1 4.32Å; K35-V37 HydrophobicContact CB-CG2 3.86Å | ||
| 38 | L | 98 | Very high | 96.6 | Very high | 75 Ų | 75 | 61.9 Ų | 61.9 | 39% | 0.393 | 34% | 0.342 | S | S | . | . | trans | -86.7 | 143.2 | 170.7 | -60.1 | 179.4 | 0 | 0 | 0 | 109.7 | E40 Y123 A124 | L38-E40 PolarHBondContact O-N 3.4Å; L38-Y123 HydrophobicContact CD1-CE1 4.43Å; L38-Y123 HydrophobicContact CD2-CD1 4.09Å; L38-Y123 HydrophobicContact CD2-CE1 3.54Å; L38-A124 WeakPolarHBondContact CA-O 3.21Å | ||
| 39 | F | 98.2 | Very high | 96.4 | Very high | 13 Ų | 13 | 65 Ų | 65 | 6% | 0.057 | 37% | 0.366 | C | S | . | . | trans | -62.3 | 136.2 | 178.2 | -176.2 | -116.8 | 0 | 0 | 0 | 110.6 | L28 D41 R65 A124 I126 V141 D143 | L28-F39 HydrophobicContact CB-CE2 4.43Å; L28-F39 HydrophobicContact CD1-CE2 4.09Å; L28-F39 HydrophobicContact CD1-CZ 4.08Å; L28-F39 HydrophobicContact CD2-CE2 4.18Å; L28-F39 HydrophobicContact CG-CE2 4.48Å; F39-D41 HydrophobicContact CE1-CB 3.83Å; F39-D41 HydrophobicContact CZ-CB 4.33Å; F39-R65 PolarHBondContact O-NH1 3.43Å; F39-R65 PolarHBondContact O-NH2 2.89Å; F39-A124 PolarHBondContact N-O 2.82Å; F39-I126 HydrophobicContact CB-CB 3.71Å; F39-I126 HydrophobicContact CB-CD1 4.35Å; F39-I126 HydrophobicContact CB-CG1 4.35Å; F39-I126 HydrophobicContact CD1-CB 3.92Å; F39-I126 HydrophobicContact CD1-CD1 3.81Å; F39-I126 HydrophobicContact CD1-CG1 3.74Å; F39-I126 HydrophobicContact CD2-CD1 4.13Å; F39-I126 HydrophobicContact CE1-CD1 4.11Å; F39-I126 HydrophobicContact CE1-CG1 4.25Å; F39-I126 HydrophobicContact CE2-CD1 4.41Å; F39-I126 HydrophobicContact CG-CB 3.99Å; F39-I126 HydrophobicContact CG-CD1 3.84Å; F39-I126 HydrophobicContact CG-CG1 4.08Å; F39-I126 HydrophobicContact CZ-CD1 4.4Å; F39-V141 HydrophobicContact CE1-CG1 3.82Å; F39-V141 HydrophobicContact CZ-CG1 4.18Å; F39-D143 HydrophobicContact CD1-CB 3.76Å; F39-D143 HydrophobicContact CE1-CB 4.42Å; F39-D143 WeakPolarHBondContact O-CB 3.26Å | ||
| 40 | E | 98.1 | Very high | 96.3 | Very high | 125 Ų | 125 | 63 Ų | 63 | 58% | 0.584 | 36% | 0.359 | S | S | * | . | trans | -124.4 | 115.9 | 170.6 | -66.6 | -162.7 | -161.9 | 0 | 0 | 107.3 | L38 P42 R145 | L38-E40 PolarHBondContact O-N 3.4Å; E40-P42 VanDerWaalsContact O-CD 3.24Å; E40-P42 WeakPolarHBondContact O-CD 3.26Å; E40-R145 VanDerWaalsContact CD-NH1 3.26Å; E40-R145 IonicContact OE1-NH1 3.75Å; E40-R145 IonicContact OE2-CZ 3.45Å; E40-R145 IonicContact OE2-NH1 2.75Å; E40-R145 PolarHBondContact OE2-NH1 2.94Å | ||
| 41 | D | 97.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.016 | 34% | 0.342 | C | S | . | . | trans | -71 | 113.7 | -173 | -169.4 | -17.6 | 0 | 0 | 0 | 111.1 | F39 D43 F44 D143 K175 | F39-D41 HydrophobicContact CE1-CB 3.83Å; F39-D41 HydrophobicContact CZ-CB 4.33Å; D41-D43 VanDerWaalsContact C-N 3.31Å; D41-D43 WeakPolarHBondContact OD1-CB 3.4Å; D41-D43 PolarHBondContact OD1-N 3.12Å; D41-F44 CarbonylContact O-C 3.16Å; D41-F44 PolarHBondContact OD1-N 3.42Å; D41-D143 HydrophobicContact CB-CB 4.29Å; D41-D143 VanDerWaalsContact CB-OD2 3.26Å; D41-D143 WeakPolarHBondContact CB-OD2 3.43Å; D41-D143 PolarHBondContact N-OD2 3.43Å; D41-K175 IonicContact OD1-NZ 2.73Å; D41-K175 PolarHBondContact OD1-NZ 2.83Å; D41-K175 IonicContact OD2-NZ 3.63Å; D41-K175 PolarHBondContact OD2-NZ 2.96Å | ||
| 42 | P | 96.3 | Very high | 95.7 | Very high | 79 Ų | 79 | 58.3 Ų | 58.3 | 51% | 0.513 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -73.9 | -24.7 | 178.9 | 31.1 | -34.5 | 0 | 0 | 0 | 112.4 | E40 | E40-P42 VanDerWaalsContact O-CD 3.24Å; E40-P42 WeakPolarHBondContact O-CD 3.26Å |
| 43 | D | 96 | Very high | 95.1 | Very high | 58 Ų | 58 | 61.4 Ų | 61.4 | 31% | 0.31 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -85.2 | -19.9 | -177.2 | -67.8 | -26.4 | 0 | 0 | 0 | 112.4 | Q19 W20 D41 | Q19-D43 PolarHBondContact NE2-OD2 2.99Å; W20-D43 WeakPolarHBondContact CB-OD1 3.47Å; W20-D43 PolarHBondContact N-OD2 3.22Å; D41-D43 VanDerWaalsContact C-N 3.31Å; D41-D43 WeakPolarHBondContact OD1-CB 3.4Å; D41-D43 PolarHBondContact OD1-N 3.12Å |
| 44 | F | 97.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 61.9 Ų | 61.9 | 2% | 0.022 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -142.6 | 72.9 | 179.8 | -159.2 | -107.2 | 0 | 0 | 0 | 110.6 | D41 S50 W63 K171 A174 K175 Y180 | D41-F44 CarbonylContact O-C 3.16Å; D41-F44 PolarHBondContact OD1-N 3.42Å; F44-S50 WeakPolarHBondContact CZ-O 3.28Å; F44-W63 HydrophobicContact CE1-CH2 4.32Å; F44-K171 HydrophobicContact CD1-CG 4.33Å; F44-K171 HydrophobicContact CE1-CG 4.05Å; F44-A174 HydrophobicContact CZ-CB 4.04Å; F44-K175 HydrophobicContact CB-CB 4.12Å; F44-K175 HydrophobicContact CB-CD 3.69Å; F44-K175 HydrophobicContact CB-CG 3.81Å; F44-K175 HydrophobicContact CD1-CB 4.2Å; F44-K175 HydrophobicContact CD2-CB 3.72Å; F44-K175 HydrophobicContact CD2-CG 3.99Å; F44-K175 HydrophobicContact CE2-CB 4.11Å; F44-K175 HydrophobicContact CG-CB 3.75Å; F44-K175 HydrophobicContact CG-CD 4.27Å; F44-K175 HydrophobicContact CG-CG 3.98Å; F44-K175 HydrophobicContact CZ-CB 4.49Å; F44-Y180 HydrophobicContact CE1-CD2 4.39Å; F44-Y180 HydrophobicContact CE1-CE2 4.06Å; F44-Y180 HydrophobicContact CZ-CD2 4.15Å; F44-Y180 HydrophobicContact CZ-CE2 4.27Å |
| 45 | P | 96.9 | Very high | 93.5 | Very high | 54 Ų | 54 | 61.3 Ų | 61.3 | 35% | 0.351 | 36% | 0.355 | S | S | . | . | trans | -65.3 | 154 | -172.5 | 27.1 | -35.5 | 0 | 0 | 0 | 111.9 | A47 S50 | P45-A47 HydrophobicContact CB-CB 4.33Å; P45-A47 HydrophobicContact CG-CB 4.33Å; P45-A47 PolarHBondContact O-N 2.94Å; P45-S50 VanDerWaalsContact O-CB 3.27Å; P45-S50 WeakPolarHBondContact O-CB 3.17Å; P45-S50 PolarHBondContact O-OG 3.39Å | ||
| 46 | A | 96.7 | Very high | 92.3 | Very high | 32 Ų | 32 | 58 Ų | 58 | 26% | 0.264 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -72.3 | 68.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | W63 R145 | A46-W63 HydrophobicContact CB-CB 3.76Å; A46-W63 HydrophobicContact CB-CD2 3.68Å; A46-W63 HydrophobicContact CB-CE3 4.04Å; A46-W63 HydrophobicContact CB-CG 3.57Å; A46-R145 HydrophobicContact CB-CB 4.44Å |
| 47 | A | 93.8 | Very high | 91.3 | Very high | 36 Ų | 36 | 57.7 Ų | 57.7 | 30% | 0.298 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -142.1 | 164 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P45 S49 S50 | P45-A47 HydrophobicContact CB-CB 4.33Å; P45-A47 HydrophobicContact CG-CB 4.33Å; P45-A47 PolarHBondContact O-N 2.94Å; A47-S49 PolarHBondContact O-N 2.89Å; A47-S50 WeakPolarHBondContact O-CB 3.13Å; A47-S50 PolarHBondContact O-N 3.1Å |
| 48 | D | 91.1 | Very high | 90.2 | Very high | 96 Ų | 96 | 60.7 Ų | 60.7 | 51% | 0.513 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.7 | -30.8 | -180 | -73.3 | -1.2 | 0 | 0 | 0 | 112.8 | S50 L51 F52 | D48-S50 PolarHBondContact O-N 3.39Å; D48-L51 WeakPolarHBondContact O-CA 3.37Å; D48-L51 PolarHBondContact O-N 3.03Å; D48-F52 PolarHBondContact O-N 3.35Å |
| 49 | S | 92.1 | Very high | 89.3 | Confident | 78 Ų | 78 | 60.7 Ų | 60.7 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.2 | -25.5 | 176.1 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | A47 | A47-S49 PolarHBondContact O-N 2.89Å |
| 50 | S | 95.3 | Very high | 88.7 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -82.7 | -18.4 | 175.6 | -60.2 | 0 | 0 | 0 | 0 | 112 | F44 P45 A47 D48 S179 Y180 | F44-S50 WeakPolarHBondContact CZ-O 3.28Å; P45-S50 VanDerWaalsContact O-CB 3.27Å; P45-S50 WeakPolarHBondContact O-CB 3.17Å; P45-S50 PolarHBondContact O-OG 3.39Å; A47-S50 WeakPolarHBondContact O-CB 3.13Å; A47-S50 PolarHBondContact O-N 3.1Å; D48-S50 PolarHBondContact O-N 3.39Å; S50-S179 CarbonylContact O-C 3.6Å; S50-S179 VanDerWaalsContact O-CA 3.31Å; S50-S179 WeakPolarHBondContact O-CA 3.48Å; S50-S179 WeakPolarHBondContact O-CB 3.47Å; S50-Y180 PolarHBondContact O-N 3.45Å |
| 51 | L | 91.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -93.4 | -48.4 | 178.4 | -62.1 | 173.2 | 0 | 0 | 0 | 111.7 | D48 I61 W63 P147 M155 Y180 E181 | D48-L51 WeakPolarHBondContact O-CA 3.37Å; D48-L51 PolarHBondContact O-N 3.03Å; L51-I61 HydrophobicContact CD1-CB 4.34Å; L51-I61 HydrophobicContact CD1-CD1 3.84Å; L51-I61 HydrophobicContact CD1-CG2 3.89Å; L51-W63 HydrophobicContact CD1-CZ2 4.22Å; L51-W63 HydrophobicContact CD2-CH2 4.13Å; L51-W63 HydrophobicContact CD2-CZ2 3.7Å; L51-W63 HydrophobicContact CG-CZ2 3.72Å; L51-P147 HydrophobicContact CD2-CB 3.89Å; L51-P147 HydrophobicContact CD2-CG 4.09Å; L51-M155 HydrophobicContact CD2-CE 4Å; L51-Y180 HydrophobicContact CD2-CD2 3.79Å; L51-Y180 HydrophobicContact CD2-CE2 4.29Å; L51-Y180 HydrophobicContact CD2-CG 4.4Å; L51-E181 WeakPolarHBondContact O-CB 3.09Å; L51-E181 PolarHBondContact O-N 2.73Å |
| 52 | F | 88.9 | Confident | 88.2 | Confident | 35 Ų | 35 | 66.3 Ų | 66.3 | 15% | 0.154 | 39% | 0.385 | C | S | . | . | trans | -137.1 | 143.8 | -168.4 | -47.1 | -69.2 | 0 | 0 | 0 | 111.1 | D48 V57 I61 E181 | D48-F52 PolarHBondContact O-N 3.35Å; F52-V57 HydrophobicContact CE1-CG1 4.41Å; F52-V57 HydrophobicContact CE2-CG2 4.04Å; F52-V57 HydrophobicContact CZ-CG1 4.15Å; F52-V57 HydrophobicContact CZ-CG2 3.87Å; F52-I61 HydrophobicContact CE2-CD1 3.93Å; F52-I61 HydrophobicContact CZ-CD1 4Å; F52-E181 WeakPolarHBondContact CA-OE2 3.34Å; F52-E181 HydrophobicContact CD1-CB 4.43Å | ||
| 53 | F | 84.9 | Confident | 88.3 | Confident | 77 Ų | 77 | 64.4 Ų | 64.4 | 34% | 0.338 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -114.2 | -14.5 | 165.3 | 58.5 | -101.9 | 0 | 0 | 0 | 112.3 | S179 E181 R433 K434 | F53-S179 WeakPolarHBondContact CD1-OG 3.3Å; F53-E181 HydrophobicContact CD1-CB 4.1Å; F53-E181 HydrophobicContact CD1-CG 4.06Å; F53-E181 HydrophobicContact CE1-CB 3.91Å; F53-E181 HydrophobicContact CE1-CG 3.58Å; F53-E181 HydrophobicContact CZ-CG 3.84Å; F53-E181 PolarHBondContact N-OE2 3.36Å; F53-R433 HydrophobicContact CE1-CB 4.22Å; F53-R433 HydrophobicContact CE2-CB 4.23Å; F53-R433 HydrophobicContact CZ-CB 3.7Å; F53-K434 HydrophobicContact CB-CB 3.68Å; F53-K434 HydrophobicContact CD1-CB 4.29Å; F53-K434 HydrophobicContact CD2-CB 4.14Å; F53-K434 HydrophobicContact CG-CB 3.79Å |
| 54 | S | 82.3 | Confident | 88.3 | Confident | 82 Ų | 82 | 63.6 Ų | 63.6 | 57% | 0.573 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -92.1 | -73.3 | -179.6 | 71 | 0 | 0 | 0 | 0 | 112.4 | E181 | S54-E181 PolarHBondContact N-OE2 3.31Å; S54-E181 PolarHBondContact OG-OE1 2.94Å; S54-E181 PolarHBondContact OG-OE2 3.45Å; S54-E181 VanDerWaalsContact OG-OE2 3.06Å |
| 55 | Q | 76.6 | Confident | 88.4 | Confident | 145 Ų | 145 | 64.3 Ų | 64.3 | 68% | 0.678 | 36% | 0.363 | S | S | * | . | trans | -145.3 | 135.4 | -178.4 | -169 | 176.1 | 12.7 | 0 | 0 | 111.3 | ||||
| 56 | S | 72.8 | Confident | 88.3 | Confident | 73 Ų | 73 | 61.8 Ų | 61.8 | 51% | 0.51 | 35% | 0.347 | S | S | . | . | trans | -68.6 | 138.5 | 172 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 57 | V | 75.3 | Confident | 88.3 | Confident | 65 Ų | 65 | 66.4 Ų | 66.4 | 39% | 0.394 | 36% | 0.357 | S | S | . | . | trans | -75 | 147.7 | 173.4 | -66.1 | 0 | 0 | 0 | 0 | 111.6 | F52 V59 I61 | F52-V57 HydrophobicContact CE1-CG1 4.41Å; F52-V57 HydrophobicContact CE2-CG2 4.04Å; F52-V57 HydrophobicContact CZ-CG1 4.15Å; F52-V57 HydrophobicContact CZ-CG2 3.87Å; V57-V59 HydrophobicContact CG2-CB 4.27Å; V57-V59 PolarHBondContact O-N 2.72Å; V57-I61 HydrophobicContact CG2-CD1 3.78Å | ||
| 58 | P | 74.6 | Confident | 88.4 | Confident | 140 Ų | 140 | 70.3 Ų | 70.3 | 91% | 0.909 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -77.8 | 38.9 | 178.9 | 34.9 | -37.5 | 0 | 0 | 0 | 112.2 | ||
| 59 | V | 80.3 | Confident | 88.5 | Confident | 76 Ų | 76 | 67.6 Ų | 67.6 | 46% | 0.461 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -124.7 | 131.6 | 178.6 | -177.4 | 0 | 0 | 0 | 0 | 107.4 | V57 I61 V149 | V57-V59 HydrophobicContact CG2-CB 4.27Å; V57-V59 PolarHBondContact O-N 2.72Å; V59-I61 PolarHBondContact O-N 3.02Å; V59-I61 VanDerWaalsContact O-N 3.07Å; V59-V149 HydrophobicContact CG1-CG1 3.97Å; V59-V149 HydrophobicContact CG1-CG2 3.74Å |
| 60 | Q | 85.1 | Confident | 88.5 | Confident | 156 Ų | 156 | 65.2 Ų | 65.2 | 73% | 0.729 | 34% | 0.337 | S | S | * | . | trans | -71.5 | 104.4 | 176.1 | -173.4 | 178.7 | -7.9 | 0 | 0 | 109.4 | ||||
| 61 | I | 90.6 | Very high | 88.3 | Confident | 28 Ų | 28 | 74.8 Ų | 74.8 | 14% | 0.144 | 38% | 0.382 | C | S | . | . | trans | -90.5 | 129.8 | 174.6 | -61.7 | 171.9 | 0 | 0 | 0 | 108.3 | L51 F52 V57 V59 P147 V149 I154 | L51-I61 HydrophobicContact CD1-CB 4.34Å; L51-I61 HydrophobicContact CD1-CD1 3.84Å; L51-I61 HydrophobicContact CD1-CG2 3.89Å; F52-I61 HydrophobicContact CE2-CD1 3.93Å; F52-I61 HydrophobicContact CZ-CD1 4Å; V57-I61 HydrophobicContact CG2-CD1 3.78Å; V59-I61 PolarHBondContact O-N 3.02Å; V59-I61 VanDerWaalsContact O-N 3.07Å; I61-P147 HydrophobicContact CG2-CB 3.8Å; I61-V149 HydrophobicContact CG1-CG2 4.15Å; I61-I154 HydrophobicContact CD1-CD1 3.85Å; I61-I154 HydrophobicContact CG1-CD1 4.02Å; I61-I154 HydrophobicContact CG2-CD1 4.21Å | ||
| 62 | E | 94.9 | Very high | 88.3 | Confident | 75 Ų | 75 | 79 Ų | 79 | 35% | 0.35 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 128.1 | 176.8 | -66 | 179.2 | 174.4 | 0 | 0 | 109.4 | K64 T148 | E62-K64 HydrophobicContact CB-CG 4.5Å; E62-K64 WeakPolarHBondContact OE2-CE 3.34Å; E62-K64 IonicContact OE2-NZ 2.7Å; E62-K64 PolarHBondContact OE2-NZ 2.77Å; E62-T148 PolarHBondContact N-O 3.31Å; E62-T148 WeakPolarHBondContact O-CA 3.4Å; E62-T148 PolarHBondContact O-N 3.48Å; E62-T148 PolarHBondContact O-OG1 3.28Å |
| 63 | W | 97.1 | Very high | 88.6 | Confident | 39 Ų | 39 | 77.6 Ų | 77.6 | 15% | 0.148 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 116.8 | 173.2 | -71 | 85.8 | 0 | 0 | 0 | 109.7 | F44 A46 L51 R145 L146 Y180 | F44-W63 HydrophobicContact CE1-CH2 4.32Å; A46-W63 HydrophobicContact CB-CB 3.76Å; A46-W63 HydrophobicContact CB-CD2 3.68Å; A46-W63 HydrophobicContact CB-CE3 4.04Å; A46-W63 HydrophobicContact CB-CG 3.57Å; L51-W63 HydrophobicContact CD1-CZ2 4.22Å; L51-W63 HydrophobicContact CD2-CH2 4.13Å; L51-W63 HydrophobicContact CD2-CZ2 3.7Å; L51-W63 HydrophobicContact CG-CZ2 3.72Å; W63-R145 HydrophobicContact CB-CB 4.31Å; W63-R145 HydrophobicContact CE3-CB 4.11Å; W63-R145 VanDerWaalsContact CE3-O 3.25Å; W63-R145 WeakPolarHBondContact CZ3-O 3.32Å; W63-L146 WeakPolarHBondContact CA-O 3.41Å; W63-Y180 HydrophobicContact CH2-CE2 4.11Å |
| 64 | K | 97.4 | Very high | 89 | Confident | 40 Ų | 40 | 76.1 Ų | 76.1 | 17% | 0.174 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 144.2 | -177.5 | -68.1 | -170.4 | -179.5 | 177.8 | 0 | 111.7 | E62 E68 I69 L146 T148 N151 | E62-K64 HydrophobicContact CB-CG 4.5Å; E62-K64 WeakPolarHBondContact OE2-CE 3.34Å; E62-K64 IonicContact OE2-NZ 2.7Å; E62-K64 PolarHBondContact OE2-NZ 2.77Å; K64-E68 WeakPolarHBondContact CA-OE2 3.5Å; K64-E68 HydrophobicContact CB-CB 4.31Å; K64-I69 HydrophobicContact CB-CD1 4.15Å; K64-I69 HydrophobicContact CB-CG1 3.91Å; K64-L146 PolarHBondContact N-O 2.86Å; K64-L146 PolarHBondContact O-N 3.31Å; K64-T148 HydrophobicContact CB-CG2 4.21Å; K64-N151 PolarHBondContact NZ-OD1 3.3Å |
| 65 | R | 97.8 | Very high | 89.6 | Confident | 21 Ų | 21 | 72.5 Ų | 72.5 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | trans | -78.6 | 152.6 | 171.7 | -57 | -171.9 | -178.5 | -99.6 | 3.4 | 110 | F39 R67 E68 I69 G125 D144 R145 | F39-R65 PolarHBondContact O-NH1 3.43Å; F39-R65 PolarHBondContact O-NH2 2.89Å; R65-R67 PolarHBondContact O-N 3.43Å; R65-R67 VanDerWaalsContact O-N 3.11Å; R65-E68 HydrophobicContact CB-CG 4.4Å; R65-E68 PolarHBondContact N-OE2 2.96Å; R65-E68 WeakPolarHBondContact O-CA 3.43Å; R65-E68 WeakPolarHBondContact O-CB 3.2Å; R65-E68 PolarHBondContact O-N 3.3Å; R65-I69 WeakPolarHBondContact O-CG1 3.12Å; R65-I69 PolarHBondContact O-N 3.16Å; R65-G125 PolarHBondContact NH1-O 2.92Å; R65-D144 WeakPolarHBondContact CD-OD1 3.46Å; R65-D144 WeakPolarHBondContact CG-OD1 3.46Å; R65-D144 IonicContact CZ-OD1 3.68Å; R65-D144 IonicContact NE-OD1 2.89Å; R65-D144 IonicContact NH1-OD1 3.6Å; R65-D144 PolarHBondContact NH1-OD1 3.05Å; R65-R145 HydrophobicContact CG-CG 3.86Å | ||
| 66 | P | 96.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -50.3 | -36.7 | 176.6 | -35.1 | 38.9 | 0 | 0 | 0 | 114.9 | E68 I69 C70 P73 F119 D144 L146 F164 | P66-E68 PolarHBondContact O-N 2.75Å; P66-I69 PolarHBondContact O-N 3.44Å; P66-I69 VanDerWaalsContact O-N 3.08Å; P66-C70 PolarHBondContact O-N 3.44Å; P66-P73 HydrophobicContact CB-CB 3.55Å; P66-P73 HydrophobicContact CB-CG 4.16Å; P66-F119 HydrophobicContact CB-CD1 4.48Å; P66-F119 HydrophobicContact CB-CE1 3.71Å; P66-F119 HydrophobicContact CB-CZ 3.83Å; P66-F119 HydrophobicContact CG-CE1 3.65Å; P66-F119 HydrophobicContact CG-CZ 3.62Å; P66-D144 WeakPolarHBondContact CD-O 3.48Å; P66-D144 HydrophobicContact CG-CB 4.45Å; P66-L146 HydrophobicContact CG-CD1 4.42Å; P66-F164 HydrophobicContact CB-CD1 3.97Å; P66-F164 HydrophobicContact CB-CD2 3.82Å; P66-F164 HydrophobicContact CB-CE1 3.96Å; P66-F164 HydrophobicContact CB-CE2 3.82Å; P66-F164 HydrophobicContact CB-CG 3.9Å; P66-F164 HydrophobicContact CB-CZ 3.89Å; P66-F164 HydrophobicContact CG-CB 4.25Å; P66-F164 HydrophobicContact CG-CD1 3.73Å; P66-F164 HydrophobicContact CG-CD2 4.23Å; P66-F164 HydrophobicContact CG-CE1 4.1Å; P66-F164 HydrophobicContact CG-CG 3.8Å |
| 67 | R | 95.3 | Very high | 90.7 | Very high | 129 Ų | 129 | 67 Ų | 67 | 49% | 0.487 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.9 | -16.3 | 175.7 | -70.3 | -176.5 | 173.8 | -164.4 | -0.1 | 114.4 | R65 P73 F119 | R65-R67 PolarHBondContact O-N 3.43Å; R65-R67 VanDerWaalsContact O-N 3.11Å; R67-P73 HydrophobicContact CB-CG 4.46Å; R67-P73 HydrophobicContact CG-CG 3.62Å; R67-F119 PolarHBondContact NH2-O 2.94Å |
| 68 | E | 95.5 | Very high | 90.9 | Very high | 119 Ų | 119 | 67.5 Ų | 67.5 | 56% | 0.556 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -94.5 | -13.7 | 174.5 | -57 | 174.8 | 123.1 | 0 | 0 | 111.9 | K64 R65 P66 | K64-E68 WeakPolarHBondContact CA-OE2 3.5Å; K64-E68 HydrophobicContact CB-CB 4.31Å; R65-E68 HydrophobicContact CB-CG 4.4Å; R65-E68 PolarHBondContact N-OE2 2.96Å; R65-E68 WeakPolarHBondContact O-CA 3.43Å; R65-E68 WeakPolarHBondContact O-CB 3.2Å; R65-E68 PolarHBondContact O-N 3.3Å; P66-E68 PolarHBondContact O-N 2.75Å |
| 69 | I | 93.8 | Very high | 91.1 | Very high | 39 Ų | 39 | 66.1 Ų | 66.1 | 20% | 0.2 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -98 | -41.5 | -176.8 | -59 | 168.7 | 0 | 0 | 0 | 110.6 | K64 R65 P66 T148 L153 F164 | K64-I69 HydrophobicContact CB-CD1 4.15Å; K64-I69 HydrophobicContact CB-CG1 3.91Å; R65-I69 WeakPolarHBondContact O-CG1 3.12Å; R65-I69 PolarHBondContact O-N 3.16Å; P66-I69 PolarHBondContact O-N 3.44Å; P66-I69 VanDerWaalsContact O-N 3.08Å; I69-T148 HydrophobicContact CD1-CG2 3.79Å; I69-T148 HydrophobicContact CG1-CG2 4.33Å; I69-L153 HydrophobicContact CD1-CD2 4.17Å; I69-F164 HydrophobicContact CD1-CE1 4.35Å |
| 70 | C | 92.4 | Very high | 91 | Very high | 27 Ų | 27 | 63.2 Ų | 63.2 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | trans | -140.3 | 160.5 | -179.5 | 74.5 | 0 | 0 | 0 | 0 | 112 | P66 F164 | P66-C70 PolarHBondContact O-N 3.44Å; C70-F164 VanDerWaalsContact SG-CE2 3.59Å | ||
| 71 | E | 90.3 | Very high | 90.6 | Very high | 205 Ų | 205 | 58.3 Ų | 58.3 | 96% | 0.958 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -71.6 | -35.7 | -174.1 | -67 | -175 | 169.4 | 0 | 0 | 114 | ||
| 72 | N | 92.3 | Very high | 89.6 | Confident | 88 Ų | 88 | 58.4 Ų | 58.4 | 47% | 0.471 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -134.5 | 70.8 | -173.7 | -175.5 | 30.7 | 0 | 0 | 0 | 110.6 | K74 | N72-K74 WeakPolarHBondContact OD1-CE 3.19Å; N72-K74 PolarHBondContact OD1-NZ 2.78Å; N72-K74 VanDerWaalsContact OD1-NZ 3.09Å |
| 73 | P | 94.9 | Very high | 88.4 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 4% | 0.039 | 30% | 0.302 | C | S | . | . | trans | -65.3 | 138.4 | -179.7 | 28.3 | -34.4 | 0 | 0 | 0 | 110.6 | P66 R67 F119 F164 | P66-P73 HydrophobicContact CB-CB 3.55Å; P66-P73 HydrophobicContact CB-CG 4.16Å; R67-P73 HydrophobicContact CB-CG 4.46Å; R67-P73 HydrophobicContact CG-CG 3.62Å; P73-F119 HydrophobicContact CB-CD1 4.26Å; P73-F119 HydrophobicContact CB-CD2 4.11Å; P73-F119 HydrophobicContact CB-CE1 4.48Å; P73-F119 HydrophobicContact CB-CE2 4.32Å; P73-F119 HydrophobicContact CB-CG 4.08Å; P73-F119 HydrophobicContact CG-CB 4.27Å; P73-F119 HydrophobicContact CG-CD1 4.13Å; P73-F119 HydrophobicContact CG-CG 4.07Å; P73-F119 WeakPolarHBondContact O-CB 3.39Å; P73-F164 HydrophobicContact CB-CD2 3.95Å; P73-F164 HydrophobicContact CB-CE2 3.72Å | ||
| 74 | K | 94 | Very high | 87.4 | Confident | 45 Ų | 45 | 55.8 Ų | 55.8 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -120.4 | 144.8 | 174.7 | -64 | -57.6 | 178.9 | -154.6 | 0 | 109.7 | N72 V77 F119 D120 D162 E163 F164 | N72-K74 WeakPolarHBondContact OD1-CE 3.19Å; N72-K74 PolarHBondContact OD1-NZ 2.78Å; N72-K74 VanDerWaalsContact OD1-NZ 3.09Å; K74-V77 HydrophobicContact CB-CG2 3.61Å; K74-V77 HydrophobicContact CG-CG2 4.06Å; K74-F119 VanDerWaalsContact C-CD2 3.43Å; K74-F119 VanDerWaalsContact C-CE2 3.5Å; K74-F119 WeakPolarHBondContact O-CE2 3.44Å; K74-D120 IonicContact NZ-OD1 2.63Å; K74-D120 PolarHBondContact NZ-OD1 2.75Å; K74-D120 IonicContact NZ-OD2 2.87Å; K74-D120 PolarHBondContact NZ-OD2 3.12Å; K74-D162 WeakPolarHBondContact CA-O 3.29Å; K74-D162 PolarHBondContact N-O 3.29Å; K74-E163 WeakPolarHBondContact O-CA 3.12Å; K74-F164 PolarHBondContact O-N 3.28Å; K74-F164 VanDerWaalsContact O-N 3.15Å |
| 75 | F | 94 | Very high | 86.7 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -70.4 | -57 | 175.5 | -173.4 | -116.1 | 0 | 0 | 0 | 108.9 | V113 Q117 F119 F127 F129 W165 L168 | F75-V113 HydrophobicContact CE1-CG1 3.71Å; F75-V113 HydrophobicContact CZ-CG1 3.75Å; F75-Q117 HydrophobicContact CD1-CG 4.38Å; F75-Q117 WeakPolarHBondContact CD1-O 3.41Å; F75-Q117 HydrophobicContact CE1-CG 3.85Å; F75-Q117 HydrophobicContact CZ-CG 4.01Å; F75-Q117 VanDerWaalsContact CZ-NE2 3.33Å; F75-F119 HydrophobicContact CB-CD2 4.22Å; F75-F119 HydrophobicContact CB-CE2 4.16Å; F75-F119 HydrophobicContact CD2-CE2 4.49Å; F75-F127 AromaticContact CD2-CD1 3.69Å; F75-F127 HydrophobicContact CD2-CD1 3.69Å; F75-F127 AromaticContact CD2-CE1 3.5Å; F75-F127 HydrophobicContact CD2-CE1 3.5Å; F75-F127 VanDerWaalsContact CD2-CE1 3.5Å; F75-F127 HydrophobicContact CD2-CZ 4.47Å; F75-F127 AromaticContact CE2-CD1 3.56Å; F75-F127 HydrophobicContact CE2-CD1 3.56Å; F75-F127 AromaticContact CE2-CE1 3.9Å; F75-F127 HydrophobicContact CE2-CE1 3.9Å; F75-F127 HydrophobicContact CE2-CG 4.46Å; F75-F127 HydrophobicContact CG-CE1 4.19Å; F75-F127 HydrophobicContact CZ-CD1 4.37Å; F75-F129 HydrophobicContact CE2-CZ 4.14Å; F75-F129 HydrophobicContact CZ-CE1 4.12Å; F75-F129 HydrophobicContact CZ-CZ 4.12Å; F75-W165 HydrophobicContact CD1-CB 4.37Å; F75-W165 HydrophobicContact CD2-CB 4.08Å; F75-W165 HydrophobicContact CE1-CB 4.14Å; F75-W165 HydrophobicContact CE2-CB 3.83Å; F75-W165 HydrophobicContact CG-CB 4.34Å; F75-W165 HydrophobicContact CZ-CB 3.86Å; F75-W165 VanDerWaalsContact O-CB 3.24Å; F75-W165 WeakPolarHBondContact O-CB 3.43Å; F75-W165 PolarHBondContact O-N 3.32Å; F75-L168 HydrophobicContact CD2-CD1 4.24Å; F75-L168 HydrophobicContact CE2-CD1 4.09Å |
| 76 | I | 91.1 | Very high | 85.7 | Confident | 42 Ų | 42 | 53.9 Ų | 53.9 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | trans | -130.5 | 136.1 | 174.7 | -63.7 | 168.3 | 0 | 0 | 0 | 108.7 | A80 V113 W165 | I76-A80 HydrophobicContact CD1-CB 4.16Å; I76-A80 HydrophobicContact CG1-CB 4.39Å; I76-A80 HydrophobicContact CG2-CB 4.03Å; I76-V113 HydrophobicContact CD1-CG1 4.4Å; I76-W165 HydrophobicContact CG1-CB 3.81Å; I76-W165 HydrophobicContact CG1-CG 3.74Å | ||
| 77 | V | 80.8 | Confident | 84.9 | Confident | 60 Ų | 60 | 55.1 Ų | 55.1 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -107.1 | 104.7 | 176 | -179 | 0 | 0 | 0 | 0 | 109.9 | K74 D79 E163 | K74-V77 HydrophobicContact CB-CG2 3.61Å; K74-V77 HydrophobicContact CG-CG2 4.06Å; V77-D79 PolarHBondContact O-N 3.49Å; V77-E163 HydrophobicContact CG2-CB 3.99Å; V77-E163 HydrophobicContact CG2-CG 4.27Å; V77-E163 PolarHBondContact N-OE1 2.95Å |
| 78 | G | 80.3 | Confident | 84.1 | Confident | 75 Ų | 75 | 50 Ų | 50 | 77% | 0.773 | 28% | 0.284 | S | S | * | . | S | Bend | trans | 79.9 | -110.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 79 | D | 77.7 | Confident | 83.2 | Confident | 111 Ų | 111 | 52.1 Ų | 52.1 | 59% | 0.594 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -113.7 | 136.1 | 172.8 | -82.9 | -25 | 0 | 0 | 0 | 108.5 | V77 N81 K106 | V77-D79 PolarHBondContact O-N 3.49Å; D79-N81 WeakPolarHBondContact O-CB 3.38Å; D79-N81 PolarHBondContact O-N 3.28Å; D79-N81 VanDerWaalsContact O-N 3.13Å; D79-N81 PolarHBondContact O-ND2 3.32Å; D79-K106 IonicContact OD2-NZ 3.68Å |
| 80 | A | 79.3 | Confident | 82.5 | Confident | 16 Ų | 16 | 50.8 Ų | 50.8 | 13% | 0.132 | 29% | 0.287 | C | S | . | . | trans | -61.4 | 116.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | I76 D84 L109 W165 | I76-A80 HydrophobicContact CD1-CB 4.16Å; I76-A80 HydrophobicContact CG1-CB 4.39Å; I76-A80 HydrophobicContact CG2-CB 4.03Å; A80-D84 WeakPolarHBondContact CA-OD2 3.39Å; A80-L109 HydrophobicContact CB-CD2 3.69Å; A80-W165 HydrophobicContact CB-CD2 4.42Å; A80-W165 HydrophobicContact CB-CH2 4.47Å; A80-W165 HydrophobicContact CB-CZ2 3.85Å | ||
| 81 | N | 76.9 | Confident | 81.9 | Confident | 52 Ų | 52 | 50 Ų | 50 | 28% | 0.278 | 28% | 0.284 | S | S | . | . | trans | -141.8 | 171.4 | -166 | 78.9 | 83 | 0 | 0 | 0 | 111.3 | D79 T83 D84 | D79-N81 WeakPolarHBondContact O-CB 3.38Å; D79-N81 PolarHBondContact O-N 3.28Å; D79-N81 VanDerWaalsContact O-N 3.13Å; D79-N81 PolarHBondContact O-ND2 3.32Å; N81-T83 PolarHBondContact O-N 2.87Å; N81-T83 VanDerWaalsContact O-N 3.15Å; N81-T83 WeakPolarHBondContact OD1-CB 3.18Å; N81-T83 PolarHBondContact OD1-N 2.94Å; N81-T83 PolarHBondContact OD1-OG1 3Å; N81-D84 PolarHBondContact N-OD2 2.91Å; N81-D84 PolarHBondContact ND2-OD1 3.41Å; N81-D84 PolarHBondContact ND2-OD2 2.84Å; N81-D84 WeakPolarHBondContact O-CB 3.45Å; N81-D84 PolarHBondContact O-N 3.11Å; N81-D84 VanDerWaalsContact O-N 3.12Å | ||
| 82 | R | 68.3 | Low | 81.5 | Confident | 30 Ų | 30 | 40.3 Ų | 40.3 | 11% | 0.113 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -62.2 | -23.2 | -173.8 | 72.2 | -169.3 | -176.9 | 85.7 | -0.1 | 114.3 | D84 I85 R297 F338 N340 | R82-D84 PolarHBondContact O-N 3.42Å; R82-I85 PolarHBondContact O-N 3.42Å; R82-R297 PolarHBondContact O-NH1 3.42Å; R82-R297 PolarHBondContact O-NH2 3.37Å; R82-F338 PolarHBondContact NH1-O 3Å; R82-F338 VanDerWaalsContact NH1-O 3.12Å; R82-N340 VanDerWaalsContact CZ-ND2 3.27Å; R82-N340 PolarHBondContact NH1-OD1 2.85Å; R82-N340 VanDerWaalsContact NH2-CG 3.3Å; R82-N340 PolarHBondContact NH2-ND2 2.97Å |
| 83 | T | 69.8 | Low | 81.2 | Confident | 58 Ų | 58 | 36.6 Ų | 36.6 | 36% | 0.356 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -71.5 | -12.7 | 178.5 | 61 | 0 | 0 | 0 | 0 | 113.4 | N81 I85 A159 | N81-T83 PolarHBondContact O-N 2.87Å; N81-T83 VanDerWaalsContact O-N 3.15Å; N81-T83 WeakPolarHBondContact OD1-CB 3.18Å; N81-T83 PolarHBondContact OD1-N 2.94Å; N81-T83 PolarHBondContact OD1-OG1 3Å; T83-I85 PolarHBondContact O-N 2.87Å; T83-A159 WeakPolarHBondContact O-CB 3.3Å; T83-A159 PolarHBondContact O-N 2.9Å |
| 84 | D | 77.4 | Confident | 81 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -84.8 | 1.2 | -176.5 | -39.1 | -12.8 | 0 | 0 | 0 | 111.2 | A80 N81 R82 H157 S158 E163 W165 S166 | A80-D84 WeakPolarHBondContact CA-OD2 3.39Å; N81-D84 PolarHBondContact N-OD2 2.91Å; N81-D84 PolarHBondContact ND2-OD1 3.41Å; N81-D84 PolarHBondContact ND2-OD2 2.84Å; N81-D84 WeakPolarHBondContact O-CB 3.45Å; N81-D84 PolarHBondContact O-N 3.11Å; N81-D84 VanDerWaalsContact O-N 3.12Å; R82-D84 PolarHBondContact O-N 3.42Å; D84-H157 CarbonylContact O-C 3.56Å; D84-S158 WeakPolarHBondContact CA-OG 3.35Å; D84-S158 WeakPolarHBondContact O-CA 3.45Å; D84-E163 WeakPolarHBondContact CB-OE2 3.22Å; D84-W165 HydrophobicContact CB-CZ2 3.95Å; D84-W165 PolarHBondContact OD2-NE1 3.45Å; D84-S166 WeakPolarHBondContact O-CB 3.5Å; D84-S166 PolarHBondContact O-OG 3.15Å |
| 85 | I | 81.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -118.5 | 96 | -175.1 | -47.4 | -56.6 | 0 | 0 | 0 | 108.9 | R82 T83 L96 I99 L156 W165 R297 P299 | R82-I85 PolarHBondContact O-N 3.42Å; T83-I85 PolarHBondContact O-N 2.87Å; I85-L96 HydrophobicContact CG2-CB 3.78Å; I85-L96 HydrophobicContact CG2-CD2 4.04Å; I85-L96 HydrophobicContact CG2-CG 3.87Å; I85-I99 HydrophobicContact CD1-CB 4.25Å; I85-I99 HydrophobicContact CD1-CG2 3.35Å; I85-I99 HydrophobicContact CG1-CG2 4.02Å; I85-L156 HydrophobicContact CD1-CD2 4.24Å; I85-L156 HydrophobicContact CG2-CD1 4.48Å; I85-W165 HydrophobicContact CD1-CH2 3.8Å; I85-W165 HydrophobicContact CD1-CZ2 3.96Å; I85-R297 PolarHBondContact O-NH2 3.14Å; I85-P299 VanDerWaalsContact O-O 3.14Å | ||
| 86 | C | 78.3 | Confident | 80.6 | Confident | 22 Ų | 22 | 34 Ų | 34 | 15% | 0.149 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -121.6 | 130.2 | 170 | -65 | 0 | 0 | 0 | 0 | 110.1 | H157 | C86-H157 WeakPolarHBondContact CB-O 3.47Å; C86-H157 PolarHBondContact N-O 3.37Å; C86-H157 PolarHBondContact O-N 3.13Å |
| 87 | Q | 78.8 | Confident | 80.5 | Confident | 25 Ų | 25 | 32 Ų | 32 | 12% | 0.117 | 20% | 0.197 | C | C | . | . | trans | -67.7 | 136.5 | 179.8 | -164.5 | 174.4 | -25.9 | 0 | 0 | 111.9 | L90 C93 L96 H274 | Q87-L90 PolarHBondContact NE2-O 3.13Å; Q87-C93 VanDerWaalsContact OE1-CB 3.24Å; Q87-L96 HydrophobicContact CB-CD2 3.55Å; Q87-L96 HydrophobicContact CG-CD2 3.92Å; Q87-H274 PolarHBondContact OE1-CE1 3.29Å | ||
| 88 | G | 79.5 | Confident | 81 | Confident | 22 Ų | 22 | 29.1 Ų | 29.1 | 23% | 0.227 | 18% | 0.179 | C | C | . | . | trans | -83.4 | -145.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I154 M155 | G88-I154 CarbonylContact C-O 3.5Å; G88-I154 WeakPolarHBondContact CA-O 3.47Å; G88-M155 VanDerWaalsContact CA-O 3.3Å; G88-M155 WeakPolarHBondContact CA-O 3.41Å | ||
| 89 | Q | 76.3 | Confident | 81.5 | Confident | 163 Ų | 163 | 25.6 Ų | 25.6 | 76% | 0.762 | 14% | 0.143 | S | C | * | . | S | Bend | trans | -91 | -1.7 | -179.3 | -61.2 | -178 | -0.3 | 0 | 0 | 113.3 | I154 | Q89-I154 PolarHBondContact N-O 3.32Š|
| 90 | L | 79.3 | Confident | 81.9 | Confident | 12 Ų | 12 | 20.4 Ų | 20.4 | 6% | 0.063 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -85.2 | 143.2 | 179.6 | -167.4 | 62.6 | 0 | 0 | 0 | 110.7 | Q87 D92 M155 Y180 L183 K184 | Q87-L90 PolarHBondContact NE2-O 3.13Å; L90-D92 HydrophobicContact CD2-CB 4.12Å; L90-D92 HydrophobicContact CG-CB 4.11Å; L90-D92 PolarHBondContact O-N 3.22Å; L90-D92 VanDerWaalsContact O-N 3.1Å; L90-M155 HydrophobicContact CB-SD 4.06Å; L90-M155 HydrophobicContact CD2-SD 4.38Å; L90-Y180 HydrophobicContact CD2-CD1 4.11Å; L90-Y180 WeakPolarHBondContact CD2-O 3.45Å; L90-L183 HydrophobicContact CD2-CB 4.19Å; L90-K184 HydrophobicContact CD1-CD 4.33Å; L90-K184 HydrophobicContact CD1-CG 3.57Å; L90-K184 HydrophobicContact CG-CG 4.45Å |
| 91 | G | 79.1 | Confident | 82.2 | Confident | 11 Ų | 11 | 19.8 Ų | 19.8 | 11% | 0.113 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -83.6 | 51.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G185 | G91-G185 PolarHBondContact O-N 2.98Š|
| 92 | D | 82.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -116.6 | 26.8 | -175.3 | 71.2 | -30.9 | 0 | 0 | 0 | 112.7 | L90 W94 L95 L96 E170 L183 | L90-D92 HydrophobicContact CD2-CB 4.12Å; L90-D92 HydrophobicContact CG-CB 4.11Å; L90-D92 PolarHBondContact O-N 3.22Å; L90-D92 VanDerWaalsContact O-N 3.1Å; D92-W94 PolarHBondContact O-N 2.95Å; D92-L95 WeakPolarHBondContact O-CB 3.24Å; D92-L95 PolarHBondContact O-N 3.43Å; D92-L96 WeakPolarHBondContact O-CD1 3.44Å; D92-L96 PolarHBondContact O-N 3.2Å; D92-L96 WeakPolarHBondContact OD2-CD1 3.41Å; D92-E170 VanDerWaalsContact OD2-OE1 3.12Å; D92-L183 HydrophobicContact CB-CB 4.07Å | ||
| 93 | C | 84.9 | Confident | 83.6 | Confident | 11 Ų | 11 | 16.7 Ų | 16.7 | 7% | 0.074 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -48.6 | -31.4 | 179.1 | 59 | 0 | 0 | 0 | 0 | 114.5 | Q87 L95 L96 A97 E263 H274 | Q87-C93 VanDerWaalsContact OE1-CB 3.24Å; C93-L95 VanDerWaalsContact C-N 3.35Å; C93-L95 PolarHBondContact O-N 3.33Å; C93-L96 PolarHBondContact O-N 2.98Å; C93-A97 WeakPolarHBondContact O-CB 3.34Å; C93-A97 PolarHBondContact O-N 2.79Å; C93-E263 PolarHBondContact SG-OE1 2.75Å; C93-H274 WeakPolarHBondContact CB-CE1 3.34Å; C93-H274 VanDerWaalsContact CB-ND1 3.29Å; C93-H274 WeakPolarHBondContact CB-ND1 3.25Å |
| 94 | W | 90.4 | Very high | 84.1 | Confident | 3 Ų | 3 | 17.9 Ų | 17.9 | 1% | 0.011 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.1 | -41.7 | 173.5 | 68.1 | -87.4 | 0 | 0 | 0 | 113 | D92 A98 Y173 L183 G186 T188 E190 A191 A275 R430 | D92-W94 PolarHBondContact O-N 2.95Å; W94-A98 PolarHBondContact O-N 3.41Å; W94-Y173 AromaticContact CH2-CE1 3.62Å; W94-Y173 HydrophobicContact CH2-CE1 3.62Å; W94-Y173 HydrophobicContact CZ2-CE1 4.29Å; W94-Y173 HydrophobicContact CZ3-CE1 4.27Å; W94-L183 PolarHBondContact NE1-O 2.93Å; W94-G186 WeakPolarHBondContact CB-O 3.45Å; W94-G186 VanDerWaalsContact CD1-N 3.35Å; W94-T188 WeakPolarHBondContact O-CG2 3.49Å; W94-E190 HydrophobicContact CE3-CB 4.24Å; W94-E190 HydrophobicContact CH2-CB 4.46Å; W94-E190 HydrophobicContact CH2-CG 4.24Å; W94-E190 HydrophobicContact CZ3-CB 3.71Å; W94-E190 HydrophobicContact CZ3-CG 3.92Å; W94-A191 HydrophobicContact CE3-CB 3.88Å; W94-A191 HydrophobicContact CZ3-CB 3.6Å; W94-A275 HydrophobicContact CB-CB 4.24Å; W94-R430 VanDerWaalsContact CZ2-CZ 3.42Å; W94-R430 VanDerWaalsContact CZ2-NH2 3.34Å |
| 95 | L | 91.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.8 | -45.1 | 176.3 | 176.7 | 62.3 | 0 | 0 | 0 | 109.9 | D92 C93 A97 A98 I99 E170 Y173 L183 A191 F195 | D92-L95 WeakPolarHBondContact O-CB 3.24Å; D92-L95 PolarHBondContact O-N 3.43Å; C93-L95 VanDerWaalsContact C-N 3.35Å; C93-L95 PolarHBondContact O-N 3.33Å; L95-A97 PolarHBondContact O-N 2.82Å; L95-A98 WeakPolarHBondContact O-CA 3.27Å; L95-A98 WeakPolarHBondContact O-CB 3.48Å; L95-A98 PolarHBondContact O-N 3.26Å; L95-A98 VanDerWaalsContact O-N 3.08Å; L95-I99 HydrophobicContact CD1-CD1 4.24Å; L95-I99 HydrophobicContact CD1-CG1 4.36Å; L95-I99 HydrophobicContact CG-CD1 3.9Å; L95-I99 HydrophobicContact CG-CG1 4.43Å; L95-I99 WeakPolarHBondContact O-CG1 3.2Å; L95-I99 PolarHBondContact O-N 2.87Å; L95-E170 HydrophobicContact CD2-CG 4.29Å; L95-Y173 HydrophobicContact CD1-CD1 3.75Å; L95-Y173 HydrophobicContact CD1-CD2 4.47Å; L95-Y173 HydrophobicContact CD1-CE1 3.75Å; L95-Y173 HydrophobicContact CD1-CE2 4.46Å; L95-Y173 HydrophobicContact CD1-CG 4.11Å; L95-Y173 HydrophobicContact CD2-CD1 3.59Å; L95-Y173 HydrophobicContact CD2-CE1 4.19Å; L95-Y173 HydrophobicContact CD2-CG 4.21Å; L95-Y173 HydrophobicContact CG-CD1 4.3Å; L95-L183 HydrophobicContact CD2-CD1 4.03Å; L95-A191 HydrophobicContact CD1-CB 3.67Å; L95-F195 HydrophobicContact CD1-CE1 4.44Å; L95-F195 HydrophobicContact CD1-CE2 4.38Å; L95-F195 HydrophobicContact CD1-CZ 3.63Å |
| 96 | L | 89.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.3 | -38.5 | -179.5 | -78.9 | 73.4 | 0 | 0 | 0 | 112.5 | I85 Q87 D92 C93 A98 I99 A100 L156 P299 | I85-L96 HydrophobicContact CG2-CB 3.78Å; I85-L96 HydrophobicContact CG2-CD2 4.04Å; I85-L96 HydrophobicContact CG2-CG 3.87Å; Q87-L96 HydrophobicContact CB-CD2 3.55Å; Q87-L96 HydrophobicContact CG-CD2 3.92Å; D92-L96 WeakPolarHBondContact O-CD1 3.44Å; D92-L96 PolarHBondContact O-N 3.2Å; D92-L96 WeakPolarHBondContact OD2-CD1 3.41Å; C93-L96 PolarHBondContact O-N 2.98Å; L96-A98 VanDerWaalsContact C-N 3.27Å; L96-A98 PolarHBondContact O-N 2.84Å; L96-I99 PolarHBondContact O-N 2.53Å; L96-A100 VanDerWaalsContact O-CB 3.25Å; L96-A100 WeakPolarHBondContact O-CB 3.49Å; L96-A100 PolarHBondContact O-N 3.14Å; L96-L156 HydrophobicContact CD1-CD1 3.89Å; L96-L156 HydrophobicContact CD1-CG 4.39Å; L96-L156 HydrophobicContact CD2-CD1 4.21Å; L96-L156 HydrophobicContact CD2-CG 4.03Å; L96-L156 HydrophobicContact CG-CD1 3.64Å; L96-L156 HydrophobicContact CG-CG 4.03Å; L96-P299 HydrophobicContact CB-CB 3.94Å |
| 97 | A | 87.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.6 | -36.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | C93 L95 S101 T188 A275 S277 P299 | C93-A97 WeakPolarHBondContact O-CB 3.34Å; C93-A97 PolarHBondContact O-N 2.79Å; L95-A97 PolarHBondContact O-N 2.82Å; A97-S101 PolarHBondContact O-N 2.87Å; A97-S101 VanDerWaalsContact O-N 3.14Å; A97-S101 PolarHBondContact O-OG 3.27Å; A97-T188 HydrophobicContact CB-CG2 3.74Å; A97-A275 HydrophobicContact CB-CB 3.77Å; A97-S277 WeakPolarHBondContact CA-OG 3.43Å; A97-S277 PolarHBondContact O-OG 3.28Å; A97-P299 HydrophobicContact CB-CG 3.8Å |
| 98 | A | 92.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.2 | -44.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | W94 L95 L96 A100 S101 L102 T188 A191 M192 F195 M225 | W94-A98 PolarHBondContact O-N 3.41Å; L95-A98 WeakPolarHBondContact O-CA 3.27Å; L95-A98 WeakPolarHBondContact O-CB 3.48Å; L95-A98 PolarHBondContact O-N 3.26Å; L95-A98 VanDerWaalsContact O-N 3.08Å; L96-A98 VanDerWaalsContact C-N 3.27Å; L96-A98 PolarHBondContact O-N 2.84Å; A98-A100 VanDerWaalsContact C-N 3.28Å; A98-A100 PolarHBondContact O-N 3.19Å; A98-S101 CarbonylContact O-C 3.57Å; A98-S101 WeakPolarHBondContact O-CB 3.21Å; A98-S101 PolarHBondContact O-N 3.1Å; A98-S101 VanDerWaalsContact O-N 3.14Å; A98-L102 PolarHBondContact O-N 3.26Å; A98-T188 HydrophobicContact CB-CG2 3.89Å; A98-A191 HydrophobicContact CB-CB 3.35Å; A98-M192 HydrophobicContact CB-CG 3.95Å; A98-F195 HydrophobicContact CB-CD2 4.18Å; A98-F195 HydrophobicContact CB-CE2 3.73Å; A98-M225 VanDerWaalsContact O-CE 3.24Å; A98-M225 WeakPolarHBondContact O-CE 3.04Å |
| 99 | I | 91.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.4 | -41.6 | 177.7 | -62 | 165.4 | 0 | 0 | 0 | 109.9 | I85 L95 L96 S101 L102 T103 L156 W165 L169 F195 | I85-I99 HydrophobicContact CD1-CB 4.25Å; I85-I99 HydrophobicContact CD1-CG2 3.35Å; I85-I99 HydrophobicContact CG1-CG2 4.02Å; L95-I99 HydrophobicContact CD1-CD1 4.24Å; L95-I99 HydrophobicContact CD1-CG1 4.36Å; L95-I99 HydrophobicContact CG-CD1 3.9Å; L95-I99 HydrophobicContact CG-CG1 4.43Å; L95-I99 WeakPolarHBondContact O-CG1 3.2Å; L95-I99 PolarHBondContact O-N 2.87Å; L96-I99 PolarHBondContact O-N 2.53Å; I99-S101 VanDerWaalsContact C-N 3.33Å; I99-S101 PolarHBondContact O-N 3.33Å; I99-L102 WeakPolarHBondContact O-CA 3.41Å; I99-L102 VanDerWaalsContact O-CB 3.27Å; I99-L102 WeakPolarHBondContact O-CB 3.47Å; I99-L102 PolarHBondContact O-N 3.1Å; I99-T103 WeakPolarHBondContact O-CG2 3.38Å; I99-T103 PolarHBondContact O-N 3.03Å; I99-L156 HydrophobicContact CD1-CD1 3.67Å; I99-W165 HydrophobicContact CG2-CH2 3.75Å; I99-W165 HydrophobicContact CG2-CZ3 3.95Å; I99-L169 HydrophobicContact CD1-CD2 3.95Å; I99-L169 HydrophobicContact CG1-CD2 3.91Å; I99-L169 HydrophobicContact CG2-CD2 3.97Å; I99-F195 HydrophobicContact CB-CE2 4.44Å; I99-F195 HydrophobicContact CG1-CE2 3.69Å; I99-F195 HydrophobicContact CG1-CZ 3.61Å |
| 100 | A | 85.1 | Confident | 86.5 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 2% | 0.017 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.4 | -43.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L96 A98 L102 T103 S277 | L96-A100 VanDerWaalsContact O-CB 3.25Å; L96-A100 WeakPolarHBondContact O-CB 3.49Å; L96-A100 PolarHBondContact O-N 3.14Å; A98-A100 VanDerWaalsContact C-N 3.28Å; A98-A100 PolarHBondContact O-N 3.19Å; A100-L102 VanDerWaalsContact C-N 3.29Å; A100-L102 PolarHBondContact O-N 2.97Å; A100-T103 PolarHBondContact O-N 3.37Å; A100-T103 PolarHBondContact O-OG1 3.03Å; A100-S277 WeakPolarHBondContact CB-OG 3.11Å |
| 101 | S | 86.3 | Confident | 87.1 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 3% | 0.028 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64 | -34.5 | 172.9 | -72.1 | 0 | 0 | 0 | 0 | 111.9 | A97 A98 I99 T103 L104 M226 S277 | A97-S101 PolarHBondContact O-N 2.87Å; A97-S101 VanDerWaalsContact O-N 3.14Å; A97-S101 PolarHBondContact O-OG 3.27Å; A98-S101 CarbonylContact O-C 3.57Å; A98-S101 WeakPolarHBondContact O-CB 3.21Å; A98-S101 PolarHBondContact O-N 3.1Å; A98-S101 VanDerWaalsContact O-N 3.14Å; I99-S101 VanDerWaalsContact C-N 3.33Å; I99-S101 PolarHBondContact O-N 3.33Å; S101-T103 VanDerWaalsContact C-N 3.34Å; S101-T103 PolarHBondContact O-N 3.26Å; S101-L104 WeakPolarHBondContact O-CB 3.43Å; S101-L104 PolarHBondContact O-N 3.42Å; S101-M226 PolarHBondContact OG-O 3.04Å; S101-S277 WeakPolarHBondContact OG-CB 3.48Å |
| 102 | L | 88.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.8 | -37.3 | 178.6 | -175.1 | 64.4 | 0 | 0 | 0 | 111.3 | A98 I99 A100 L104 K105 A108 L109 V112 F195 M225 | A98-L102 PolarHBondContact O-N 3.26Å; I99-L102 WeakPolarHBondContact O-CA 3.41Å; I99-L102 VanDerWaalsContact O-CB 3.27Å; I99-L102 WeakPolarHBondContact O-CB 3.47Å; I99-L102 PolarHBondContact O-N 3.1Å; A100-L102 VanDerWaalsContact C-N 3.29Å; A100-L102 PolarHBondContact O-N 2.97Å; L102-L104 PolarHBondContact O-N 3.07Å; L102-K105 CarbonylContact O-C 3.58Å; L102-K105 WeakPolarHBondContact O-CA 3.26Å; L102-K105 PolarHBondContact O-N 3.46Å; L102-A108 HydrophobicContact CD1-CB 3.65Å; L102-L109 HydrophobicContact CD2-CD1 3.84Å; L102-L109 HydrophobicContact CG-CB 4.16Å; L102-L109 HydrophobicContact CG-CD1 3.89Å; L102-V112 HydrophobicContact CD2-CB 4.01Å; L102-V112 HydrophobicContact CD2-CG1 4.05Å; L102-V112 HydrophobicContact CD2-CG2 4.08Å; L102-F195 HydrophobicContact CB-CD2 4.28Å; L102-F195 HydrophobicContact CD1-CB 4.08Å; L102-F195 HydrophobicContact CD2-CB 4.23Å; L102-F195 HydrophobicContact CD2-CD1 4.49Å; L102-F195 HydrophobicContact CD2-CD2 3.92Å; L102-F195 HydrophobicContact CD2-CE2 4.41Å; L102-F195 HydrophobicContact CD2-CG 3.96Å; L102-M225 HydrophobicContact CB-CE 3.97Å; L102-M225 HydrophobicContact CD1-CE 4.49Å; L102-M225 HydrophobicContact CD1-SD 4.47Å |
| 103 | T | 86.4 | Confident | 88.4 | Confident | 16 Ų | 16 | 28.3 Ų | 28.3 | 10% | 0.098 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -19.7 | 176.8 | 69.8 | 0 | 0 | 0 | 0 | 114 | I99 A100 S101 K105 W165 | I99-T103 WeakPolarHBondContact O-CG2 3.38Å; I99-T103 PolarHBondContact O-N 3.03Å; A100-T103 PolarHBondContact O-N 3.37Å; A100-T103 PolarHBondContact O-OG1 3.03Å; S101-T103 VanDerWaalsContact C-N 3.34Å; S101-T103 PolarHBondContact O-N 3.26Å; T103-K105 VanDerWaalsContact C-N 3.28Å; T103-W165 HydrophobicContact CG2-CH2 3.88Å; T103-W165 HydrophobicContact CG2-CZ2 4.16Å |
| 104 | L | 80.4 | Confident | 88.9 | Confident | 83 Ų | 83 | 28.5 Ų | 28.5 | 44% | 0.435 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -8.2 | 175.2 | -56.1 | 177.2 | 0 | 0 | 0 | 112.9 | S101 L102 T279 | S101-L104 WeakPolarHBondContact O-CB 3.43Å; S101-L104 PolarHBondContact O-N 3.42Å; L102-L104 PolarHBondContact O-N 3.07Å; L104-T279 HydrophobicContact CD1-CG2 3.71Å |
| 105 | K | 82.9 | Confident | 88.8 | Confident | 48 Ų | 48 | 35.1 Ų | 35.1 | 21% | 0.209 | 17% | 0.172 | C | C | . | . | trans | -121.7 | 85.3 | -174.2 | -55.6 | -60.9 | 178.4 | 177.3 | 0 | 109.6 | L102 T103 E107 A108 L109 G223 M225 | L102-K105 CarbonylContact O-C 3.58Å; L102-K105 WeakPolarHBondContact O-CA 3.26Å; L102-K105 PolarHBondContact O-N 3.46Å; T103-K105 VanDerWaalsContact C-N 3.28Å; K105-E107 VanDerWaalsContact C-N 3.29Å; K105-E107 PolarHBondContact O-N 3.49Å; K105-A108 HydrophobicContact CB-CB 3.95Å; K105-A108 PolarHBondContact O-N 2.86Å; K105-L109 WeakPolarHBondContact O-CB 3.48Å; K105-L109 PolarHBondContact O-N 3.26Å; K105-G223 WeakPolarHBondContact CE-O 3.42Å; K105-G223 VanDerWaalsContact NZ-C 3.26Å; K105-G223 VanDerWaalsContact NZ-CA 3.3Å; K105-G223 PolarHBondContact NZ-O 2.8Å; K105-M225 HydrophobicContact CG-CG 4.34Å | ||
| 106 | K | 84.4 | Confident | 88.7 | Confident | 150 Ų | 150 | 39.3 Ų | 39.3 | 65% | 0.652 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -53.5 | -42 | -173.5 | -66.5 | -167 | 173.8 | -157.1 | 0 | 113.8 | D79 A110 | D79-K106 IonicContact OD2-NZ 3.68Å; K106-A110 WeakPolarHBondContact O-CB 3.47Å; K106-A110 PolarHBondContact O-N 3.33Å |
| 107 | E | 84.9 | Confident | 88.8 | Confident | 151 Ų | 151 | 39.9 Ų | 39.9 | 71% | 0.706 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -70.8 | -45.3 | -178.7 | -63.8 | -178.5 | 175.4 | 0 | 0 | 112.5 | K105 L109 A110 R111 | K105-E107 VanDerWaalsContact C-N 3.29Å; K105-E107 PolarHBondContact O-N 3.49Å; E107-L109 VanDerWaalsContact C-N 3.32Å; E107-L109 PolarHBondContact O-N 3.04Å; E107-A110 PolarHBondContact O-N 3.36Å; E107-R111 PolarHBondContact O-N 3.44Å; E107-R111 VanDerWaalsContact O-N 3.08Å |
| 108 | A | 87.2 | Confident | 89.1 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 11% | 0.107 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64 | -39.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L102 K105 R111 V112 M360 | L102-A108 HydrophobicContact CD1-CB 3.65Å; K105-A108 HydrophobicContact CB-CB 3.95Å; K105-A108 PolarHBondContact O-N 2.86Å; A108-R111 WeakPolarHBondContact O-CB 3.19Å; A108-R111 PolarHBondContact O-N 3.41Å; A108-V112 WeakPolarHBondContact O-CG2 3.09Å; A108-V112 PolarHBondContact O-N 3.24Å; A108-M360 HydrophobicContact CB-CE 4.22Å |
| 109 | L | 90.8 | Very high | 89.2 | Confident | 15 Ų | 15 | 42.5 Ų | 42.5 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.4 | -46.4 | 175.1 | -177.7 | 66.8 | 0 | 0 | 0 | 111.7 | A80 L102 K105 E107 R111 V112 V113 W165 | A80-L109 HydrophobicContact CB-CD2 3.69Å; L102-L109 HydrophobicContact CD2-CD1 3.84Å; L102-L109 HydrophobicContact CG-CB 4.16Å; L102-L109 HydrophobicContact CG-CD1 3.89Å; K105-L109 WeakPolarHBondContact O-CB 3.48Å; K105-L109 PolarHBondContact O-N 3.26Å; E107-L109 VanDerWaalsContact C-N 3.32Å; E107-L109 PolarHBondContact O-N 3.04Å; L109-R111 PolarHBondContact O-N 3.42Å; L109-V112 PolarHBondContact O-N 3.31Å; L109-V113 HydrophobicContact CD1-CB 4.42Å; L109-V113 HydrophobicContact CD1-CG2 3.91Å; L109-V113 WeakPolarHBondContact O-CA 3.5Å; L109-V113 WeakPolarHBondContact O-CB 3.43Å; L109-V113 PolarHBondContact O-N 3.31Å; L109-W165 HydrophobicContact CD1-CH2 4.35Å; L109-W165 HydrophobicContact CD1-CZ3 4.16Å |
| 110 | A | 91.1 | Very high | 89 | Confident | 36 Ų | 36 | 46.3 Ų | 46.3 | 30% | 0.298 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64 | -25.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K106 E107 | K106-A110 WeakPolarHBondContact O-CB 3.47Å; K106-A110 PolarHBondContact O-N 3.33Å; E107-A110 PolarHBondContact O-N 3.36Å |
| 111 | R | 91.2 | Very high | 89.1 | Confident | 61 Ų | 61 | 53.8 Ų | 53.8 | 23% | 0.23 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.9 | -48 | 172.6 | -170.9 | 169.1 | -171.6 | 143.6 | 3.1 | 111.6 | N13 E107 A108 L109 Q130 W137 | N13-R111 PolarHBondContact OD1-NH2 2.82Å; E107-R111 PolarHBondContact O-N 3.44Å; E107-R111 VanDerWaalsContact O-N 3.08Å; A108-R111 WeakPolarHBondContact O-CB 3.19Å; A108-R111 PolarHBondContact O-N 3.41Å; L109-R111 PolarHBondContact O-N 3.42Å; R111-Q130 WeakPolarHBondContact O-CB 3.39Å; R111-Q130 PolarHBondContact O-OE1 3.34Å; R111-W137 HydrophobicContact CG-CE3 4.42Å; R111-W137 HydrophobicContact CG-CH2 4.02Å; R111-W137 HydrophobicContact CG-CZ2 4.43Å; R111-W137 HydrophobicContact CG-CZ3 4.02Å |
| 112 | V | 95.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72.5 | -37.3 | -179.3 | 174.6 | 0 | 0 | 0 | 0 | 112.3 | L102 A108 L109 P114 F129 Q130 F131 W137 L169 F195 | L102-V112 HydrophobicContact CD2-CB 4.01Å; L102-V112 HydrophobicContact CD2-CG1 4.05Å; L102-V112 HydrophobicContact CD2-CG2 4.08Å; A108-V112 WeakPolarHBondContact O-CG2 3.09Å; A108-V112 PolarHBondContact O-N 3.24Å; L109-V112 PolarHBondContact O-N 3.31Å; V112-P114 WeakPolarHBondContact O-CD 3.49Å; V112-F129 CarbonylContact O-C 3.46Å; V112-F129 VanDerWaalsContact O-CA 3.31Å; V112-F129 WeakPolarHBondContact O-CA 3.36Å; V112-Q130 WeakPolarHBondContact CA-O 3.48Å; V112-Q130 PolarHBondContact O-N 2.88Å; V112-F131 HydrophobicContact CG1-CD1 4.43Å; V112-F131 HydrophobicContact CG1-CE1 4.14Å; V112-W137 HydrophobicContact CG2-CZ3 4.45Å; V112-L169 HydrophobicContact CG1-CD1 3.66Å; V112-F195 HydrophobicContact CG1-CD1 4.11Å; V112-F195 HydrophobicContact CG2-CB 3.95Å; V112-F195 HydrophobicContact CG2-CD1 4.24Å; V112-F195 HydrophobicContact CG2-CG 4.38Å; V112-F195 WeakPolarHBondContact CG2-O 3.44Å |
| 113 | V | 95.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -120.4 | 87.2 | -177.5 | -172.9 | 0 | 0 | 0 | 0 | 108.9 | F75 I76 L109 F129 W165 L169 | F75-V113 HydrophobicContact CE1-CG1 3.71Å; F75-V113 HydrophobicContact CZ-CG1 3.75Å; I76-V113 HydrophobicContact CD1-CG1 4.4Å; L109-V113 HydrophobicContact CD1-CB 4.42Å; L109-V113 HydrophobicContact CD1-CG2 3.91Å; L109-V113 WeakPolarHBondContact O-CA 3.5Å; L109-V113 WeakPolarHBondContact O-CB 3.43Å; L109-V113 PolarHBondContact O-N 3.31Å; V113-F129 HydrophobicContact CB-CD1 4.46Å; V113-F129 HydrophobicContact CB-CE1 4.5Å; V113-F129 HydrophobicContact CG1-CD1 4.41Å; V113-F129 HydrophobicContact CG1-CE1 4.02Å; V113-F129 HydrophobicContact CG2-CD1 4.03Å; V113-F129 HydrophobicContact CG2-CE1 4.12Å; V113-W165 HydrophobicContact CG2-CE3 4.07Å; V113-W165 HydrophobicContact CG2-CZ3 4.21Å; V113-L169 HydrophobicContact CG2-CD1 4.27Å; V113-L169 HydrophobicContact CG2-CD2 4.37Å |
| 114 | P | 93.8 | Very high | 90 | Very high | 14 Ų | 14 | 56.2 Ų | 56.2 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | trans | -57.1 | 144.3 | 177.1 | -28.8 | 38.4 | 0 | 0 | 0 | 112.9 | V112 D116 Q117 Q130 | V112-P114 WeakPolarHBondContact O-CD 3.49Å; P114-D116 WeakPolarHBondContact CB-OD1 3.48Å; P114-Q117 WeakPolarHBondContact O-CG 3.25Å; P114-Q117 PolarHBondContact O-NE2 3.06Å; P114-Q117 VanDerWaalsContact O-NE2 3.07Å; P114-Q130 HydrophobicContact CG-CG 4.43Å | ||
| 115 | H | 89.4 | Confident | 90.8 | Very high | 142 Ų | 142 | 52.2 Ų | 52.2 | 66% | 0.657 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -87.4 | 0.8 | -176.8 | -67.2 | -63.3 | 0 | 0 | 0 | 114.4 | Q117 | H115-Q117 VanDerWaalsContact C-N 3.26Å; H115-Q117 PolarHBondContact O-N 3.22Å |
| 116 | D | 89.7 | Confident | 91.5 | Very high | 89 Ų | 89 | 50.3 Ų | 50.3 | 48% | 0.476 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -89.5 | 20.8 | -175.1 | 62.2 | -30.5 | 0 | 0 | 0 | 114.1 | R29 P114 H128 | R29-D116 PolarHBondContact NH1-O 3.12Å; P114-D116 WeakPolarHBondContact CB-OD1 3.48Å; D116-H128 IonicContact OD1-NE2 3.64Å; D116-H128 PolarHBondContact OD1-NE2 3.25Å; D116-H128 IonicContact OD2-NE2 3.69Å |
| 117 | Q | 91.9 | Very high | 92.2 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 5% | 0.051 | 23% | 0.226 | C | C | . | . | trans | -135.4 | 137 | -174.3 | 38.6 | 179 | 6.6 | 0 | 0 | 111.8 | F25 F75 P114 H115 F127 H128 | F25-Q117 HydrophobicContact CZ-CB 4.5Å; F75-Q117 HydrophobicContact CD1-CG 4.38Å; F75-Q117 WeakPolarHBondContact CD1-O 3.41Å; F75-Q117 HydrophobicContact CE1-CG 3.85Å; F75-Q117 HydrophobicContact CZ-CG 4.01Å; F75-Q117 VanDerWaalsContact CZ-NE2 3.33Å; P114-Q117 WeakPolarHBondContact O-CG 3.25Å; P114-Q117 PolarHBondContact O-NE2 3.06Å; P114-Q117 VanDerWaalsContact O-NE2 3.07Å; H115-Q117 VanDerWaalsContact C-N 3.26Å; H115-Q117 PolarHBondContact O-N 3.22Å; Q117-F127 HydrophobicContact CB-CD1 3.94Å; Q117-F127 HydrophobicContact CB-CE1 4.28Å; Q117-F127 HydrophobicContact CG-CD1 4.43Å; Q117-H128 PolarHBondContact NE2-O 2.91Å; Q117-H128 PolarHBondContact OE1-CD2 3.21Å; Q117-H128 PolarHBondContact OE1-O 2.95Å | ||
| 118 | D | 92.4 | Very high | 92.8 | Very high | 55 Ų | 55 | 36.5 Ų | 36.5 | 29% | 0.294 | 19% | 0.194 | S | C | . | . | trans | -160.5 | 166.7 | -175.6 | -168.4 | 15.4 | 0 | 0 | 0 | 110.8 | ||||
| 119 | F | 94.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -86.5 | -15.7 | 174.5 | -69.1 | -80.3 | 0 | 0 | 0 | 113.6 | P66 R67 P73 K74 F75 Y123 F127 F164 L168 | P66-F119 HydrophobicContact CB-CD1 4.48Å; P66-F119 HydrophobicContact CB-CE1 3.71Å; P66-F119 HydrophobicContact CB-CZ 3.83Å; P66-F119 HydrophobicContact CG-CE1 3.65Å; P66-F119 HydrophobicContact CG-CZ 3.62Å; R67-F119 PolarHBondContact NH2-O 2.94Å; P73-F119 HydrophobicContact CB-CD1 4.26Å; P73-F119 HydrophobicContact CB-CD2 4.11Å; P73-F119 HydrophobicContact CB-CE1 4.48Å; P73-F119 HydrophobicContact CB-CE2 4.32Å; P73-F119 HydrophobicContact CB-CG 4.08Å; P73-F119 HydrophobicContact CG-CB 4.27Å; P73-F119 HydrophobicContact CG-CD1 4.13Å; P73-F119 HydrophobicContact CG-CG 4.07Å; P73-F119 WeakPolarHBondContact O-CB 3.39Å; K74-F119 VanDerWaalsContact C-CD2 3.43Å; K74-F119 VanDerWaalsContact C-CE2 3.5Å; K74-F119 WeakPolarHBondContact O-CE2 3.44Å; F75-F119 HydrophobicContact CB-CD2 4.22Å; F75-F119 HydrophobicContact CB-CE2 4.16Å; F75-F119 HydrophobicContact CD2-CE2 4.49Å; F119-Y123 HydrophobicContact CD1-CD2 4.02Å; F119-Y123 AromaticContact CD1-CE2 3.7Å; F119-Y123 HydrophobicContact CD1-CE2 3.7Å; F119-Y123 HydrophobicContact CE1-CE2 4.15Å; F119-Y123 WeakPolarHBondContact O-CB 3.33Å; F119-F127 HydrophobicContact CD1-CE2 4.37Å; F119-F127 AromaticContact CD1-CZ 3.86Å; F119-F127 HydrophobicContact CD1-CZ 3.86Å; F119-F127 HydrophobicContact CD2-CZ 4.31Å; F119-F127 AromaticContact CE1-CE2 3.73Å; F119-F127 HydrophobicContact CE1-CE2 3.73Å; F119-F127 AromaticContact CE1-CZ 3.47Å; F119-F127 HydrophobicContact CE1-CZ 3.47Å; F119-F127 VanDerWaalsContact CE1-CZ 3.47Å; F119-F127 HydrophobicContact CE2-CE1 4.45Å; F119-F127 AromaticContact CE2-CZ 3.99Å; F119-F127 HydrophobicContact CE2-CZ 3.99Å; F119-F127 HydrophobicContact CG-CZ 4.25Å; F119-F127 HydrophobicContact CZ-CE1 4.33Å; F119-F127 AromaticContact CZ-CE2 3.98Å; F119-F127 HydrophobicContact CZ-CE2 3.98Å; F119-F127 AromaticContact CZ-CZ 3.53Å; F119-F127 HydrophobicContact CZ-CZ 3.53Å; F119-F164 HydrophobicContact CE2-CB 4.18Å; F119-F164 HydrophobicContact CE2-CD2 4.4Å; F119-F164 HydrophobicContact CZ-CB 4.11Å; F119-L168 HydrophobicContact CZ-CD1 4.24Å |
| 120 | D | 88.1 | Confident | 93.6 | Very high | 79 Ų | 79 | 36.8 Ų | 36.8 | 42% | 0.422 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -90.3 | -61.3 | -176 | -65.7 | -33.6 | 0 | 0 | 0 | 111.8 | K74 | K74-D120 IonicContact NZ-OD1 2.63Å; K74-D120 PolarHBondContact NZ-OD1 2.75Å; K74-D120 IonicContact NZ-OD2 2.87Å; K74-D120 PolarHBondContact NZ-OD2 3.12Å |
| 121 | H | 86.1 | Confident | 93.8 | Very high | 159 Ų | 159 | 35 Ų | 35 | 74% | 0.736 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 124.9 | -172 | -61.6 | 84.7 | 0 | 0 | 0 | 112 | Y123 | H121-Y123 VanDerWaalsContact C-N 3.27Å; H121-Y123 PolarHBondContact O-N 3.18Å |
| 122 | G | 87.6 | Confident | 93.9 | Very high | 38 Ų | 38 | 32.6 Ų | 32.6 | 39% | 0.392 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 21 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A124 | G122-A124 PolarHBondContact O-N 3.12Š|
| 123 | Y | 96.1 | Very high | 93.7 | Very high | 30 Ų | 30 | 33.9 Ų | 33.9 | 12% | 0.118 | 18% | 0.176 | C | C | . | . | trans | -63.6 | 122.7 | -179.3 | 176.5 | -101.8 | 0 | 0 | 0 | 112.4 | L38 F119 H121 F127 D144 | L38-Y123 HydrophobicContact CD1-CE1 4.43Å; L38-Y123 HydrophobicContact CD2-CD1 4.09Å; L38-Y123 HydrophobicContact CD2-CE1 3.54Å; F119-Y123 HydrophobicContact CD1-CD2 4.02Å; F119-Y123 AromaticContact CD1-CE2 3.7Å; F119-Y123 HydrophobicContact CD1-CE2 3.7Å; F119-Y123 HydrophobicContact CE1-CE2 4.15Å; F119-Y123 WeakPolarHBondContact O-CB 3.33Å; H121-Y123 VanDerWaalsContact C-N 3.27Å; H121-Y123 PolarHBondContact O-N 3.18Å; Y123-F127 HydrophobicContact CE2-CE2 4.39Å; Y123-D144 WeakPolarHBondContact CE2-OD2 3.27Å; Y123-D144 VanDerWaalsContact CZ-OD2 3.32Å; Y123-D144 PolarHBondContact OH-OD2 3.39Å | ||
| 124 | A | 97.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -131.5 | 20.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R29 C32 L33 L38 F39 G122 I126 | R29-A124 HydrophobicContact CG-CB 4.28Å; C32-A124 HydrophobicContact CB-CB 3.77Å; L33-A124 HydrophobicContact CD2-CB 3.99Å; L33-A124 HydrophobicContact CG-CB 4.03Å; L38-A124 WeakPolarHBondContact CA-O 3.21Å; F39-A124 PolarHBondContact N-O 2.82Å; G122-A124 PolarHBondContact O-N 3.12Å; A124-I126 VanDerWaalsContact C-N 3.28Å; A124-I126 HydrophobicContact CB-CG2 3.89Å; A124-I126 PolarHBondContact O-N 3.48Å |
| 125 | G | 97.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 65.1 | 29.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | R65 D143 D144 | R65-G125 PolarHBondContact NH1-O 2.92Å; G125-D143 VanDerWaalsContact O-CA 3.24Å; G125-D143 WeakPolarHBondContact O-CA 3.37Å; G125-D143 WeakPolarHBondContact O-CB 3.36Å; G125-D144 PolarHBondContact O-N 2.89Å |
| 126 | I | 97.9 | Very high | 92.6 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 4% | 0.036 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 137.7 | -174.5 | -176.5 | 169 | 0 | 0 | 0 | 109.7 | F25 L28 R29 F39 A124 V141 | F25-I126 HydrophobicContact CD2-CD1 4.11Å; F25-I126 HydrophobicContact CD2-CG1 3.87Å; F25-I126 HydrophobicContact CE2-CB 4.41Å; F25-I126 HydrophobicContact CE2-CD1 4.46Å; F25-I126 HydrophobicContact CE2-CG1 3.88Å; F25-I126 HydrophobicContact CE2-CG2 4.05Å; L28-I126 HydrophobicContact CB-CD1 3.54Å; L28-I126 HydrophobicContact CD1-CD1 4.38Å; R29-I126 HydrophobicContact CB-CG2 3.96Å; R29-I126 HydrophobicContact CG-CG2 3.96Å; F39-I126 HydrophobicContact CB-CB 3.71Å; F39-I126 HydrophobicContact CB-CD1 4.35Å; F39-I126 HydrophobicContact CB-CG1 4.35Å; F39-I126 HydrophobicContact CD1-CB 3.92Å; F39-I126 HydrophobicContact CD1-CD1 3.81Å; F39-I126 HydrophobicContact CD1-CG1 3.74Å; F39-I126 HydrophobicContact CD2-CD1 4.13Å; F39-I126 HydrophobicContact CE1-CD1 4.11Å; F39-I126 HydrophobicContact CE1-CG1 4.25Å; F39-I126 HydrophobicContact CE2-CD1 4.41Å; F39-I126 HydrophobicContact CG-CB 3.99Å; F39-I126 HydrophobicContact CG-CD1 3.84Å; F39-I126 HydrophobicContact CG-CG1 4.08Å; F39-I126 HydrophobicContact CZ-CD1 4.4Å; A124-I126 VanDerWaalsContact C-N 3.28Å; A124-I126 HydrophobicContact CB-CG2 3.89Å; A124-I126 PolarHBondContact O-N 3.48Å; I126-V141 HydrophobicContact CD1-CG1 3.45Å; I126-V141 VanDerWaalsContact CD1-CG1 3.45Å; I126-V141 HydrophobicContact CG1-CG1 3.54Å |
| 127 | F | 98.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 165 | 178.8 | -68.2 | -92.1 | 0 | 0 | 0 | 109.7 | F75 Q117 F119 Y123 F129 V141 V142 D144 L168 | F75-F127 AromaticContact CD2-CD1 3.69Å; F75-F127 HydrophobicContact CD2-CD1 3.69Å; F75-F127 AromaticContact CD2-CE1 3.5Å; F75-F127 HydrophobicContact CD2-CE1 3.5Å; F75-F127 VanDerWaalsContact CD2-CE1 3.5Å; F75-F127 HydrophobicContact CD2-CZ 4.47Å; F75-F127 AromaticContact CE2-CD1 3.56Å; F75-F127 HydrophobicContact CE2-CD1 3.56Å; F75-F127 AromaticContact CE2-CE1 3.9Å; F75-F127 HydrophobicContact CE2-CE1 3.9Å; F75-F127 HydrophobicContact CE2-CG 4.46Å; F75-F127 HydrophobicContact CG-CE1 4.19Å; F75-F127 HydrophobicContact CZ-CD1 4.37Å; Q117-F127 HydrophobicContact CB-CD1 3.94Å; Q117-F127 HydrophobicContact CB-CE1 4.28Å; Q117-F127 HydrophobicContact CG-CD1 4.43Å; F119-F127 HydrophobicContact CD1-CE2 4.37Å; F119-F127 AromaticContact CD1-CZ 3.86Å; F119-F127 HydrophobicContact CD1-CZ 3.86Å; F119-F127 HydrophobicContact CD2-CZ 4.31Å; F119-F127 AromaticContact CE1-CE2 3.73Å; F119-F127 HydrophobicContact CE1-CE2 3.73Å; F119-F127 AromaticContact CE1-CZ 3.47Å; F119-F127 HydrophobicContact CE1-CZ 3.47Å; F119-F127 VanDerWaalsContact CE1-CZ 3.47Å; F119-F127 HydrophobicContact CE2-CE1 4.45Å; F119-F127 AromaticContact CE2-CZ 3.99Å; F119-F127 HydrophobicContact CE2-CZ 3.99Å; F119-F127 HydrophobicContact CG-CZ 4.25Å; F119-F127 HydrophobicContact CZ-CE1 4.33Å; F119-F127 AromaticContact CZ-CE2 3.98Å; F119-F127 HydrophobicContact CZ-CE2 3.98Å; F119-F127 AromaticContact CZ-CZ 3.53Å; F119-F127 HydrophobicContact CZ-CZ 3.53Å; Y123-F127 HydrophobicContact CE2-CE2 4.39Å; F127-F129 HydrophobicContact CB-CE2 4.36Å; F127-V141 CarbonylContact O-C 3.45Å; F127-V141 WeakPolarHBondContact O-CA 3.31Å; F127-V142 HydrophobicContact CB-CG2 4.41Å; F127-V142 PolarHBondContact N-O 3.31Å; F127-V142 PolarHBondContact O-N 3.22Å; F127-D144 HydrophobicContact CD2-CB 3.83Å; F127-D144 HydrophobicContact CE2-CB 3.65Å; F127-L168 HydrophobicContact CB-CD1 4.47Å; F127-L168 HydrophobicContact CD1-CD1 4.13Å; F127-L168 HydrophobicContact CD2-CD1 3.83Å; F127-L168 HydrophobicContact CE1-CD1 4.36Å; F127-L168 HydrophobicContact CE2-CD1 4.09Å; F127-L168 HydrophobicContact CG-CD1 3.87Å; F127-L168 HydrophobicContact CZ-CD1 4.34Å |
| 128 | H | 97.9 | Very high | 92.8 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 5% | 0.051 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 154.8 | 176.7 | 77.6 | 129.5 | 0 | 0 | 0 | 113.7 | F25 D116 Q117 D139 V140 V141 | F25-H128 HydrophobicContact CB-CB 3.99Å; F25-H128 AromaticContact CD1-CD2 3.64Å; F25-H128 AromaticContact CD1-NE2 3.76Å; F25-H128 HydrophobicContact CD2-CB 3.85Å; F25-H128 AromaticContact CD2-CD2 3.95Å; F25-H128 AromaticContact CD2-CG 3.97Å; F25-H128 AromaticContact CE1-CD2 3.8Å; F25-H128 AromaticContact CE1-NE2 3.97Å; F25-H128 HydrophobicContact CG-CB 3.95Å; F25-H128 AromaticContact CG-CD2 3.71Å; F25-H128 AromaticContact CG-CG 3.69Å; D116-H128 IonicContact OD1-NE2 3.64Å; D116-H128 PolarHBondContact OD1-NE2 3.25Å; D116-H128 IonicContact OD2-NE2 3.69Å; Q117-H128 PolarHBondContact NE2-O 2.91Å; Q117-H128 PolarHBondContact OE1-CD2 3.21Å; Q117-H128 PolarHBondContact OE1-O 2.95Å; H128-D139 IonicContact CE1-OD1 3.44Å; H128-D139 IonicContact CG-OD1 2.64Å; H128-D139 IonicContact ND1-OD1 3.03Å; H128-D139 PolarHBondContact ND1-OD1 3.5Å; H128-D139 IonicContact ND1-OD2 2.97Å; H128-D139 PolarHBondContact ND1-OD2 3.41Å; H128-V140 CarbonylContact C-O 3.59Å; H128-V140 WeakPolarHBondContact CA-O 3.44Å; H128-V141 HydrophobicContact CB-CG2 4.22Å |
| 129 | F | 98.1 | Very high | 93 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 150.9 | -178.4 | -60.8 | -86.3 | 0 | 0 | 0 | 110.2 | F75 V112 V113 F127 F131 V140 V142 L168 L169 A172 | F75-F129 HydrophobicContact CE2-CZ 4.14Å; F75-F129 HydrophobicContact CZ-CE1 4.12Å; F75-F129 HydrophobicContact CZ-CZ 4.12Å; V112-F129 CarbonylContact O-C 3.46Å; V112-F129 VanDerWaalsContact O-CA 3.31Å; V112-F129 WeakPolarHBondContact O-CA 3.36Å; V113-F129 HydrophobicContact CB-CD1 4.46Å; V113-F129 HydrophobicContact CB-CE1 4.5Å; V113-F129 HydrophobicContact CG1-CD1 4.41Å; V113-F129 HydrophobicContact CG1-CE1 4.02Å; V113-F129 HydrophobicContact CG2-CD1 4.03Å; V113-F129 HydrophobicContact CG2-CE1 4.12Å; F127-F129 HydrophobicContact CB-CE2 4.36Å; F129-F131 HydrophobicContact CB-CE2 3.97Å; F129-F131 HydrophobicContact CB-CZ 3.95Å; F129-V140 PolarHBondContact N-O 2.9Å; F129-V140 PolarHBondContact O-N 3.44Å; F129-V142 HydrophobicContact CD2-CG2 4.32Å; F129-V142 HydrophobicContact CE2-CG2 4.08Å; F129-L168 VanDerWaalsContact CE2-C 3.47Å; F129-L168 HydrophobicContact CE2-CB 3.75Å; F129-L168 WeakPolarHBondContact CE2-O 3.42Å; F129-L168 HydrophobicContact CZ-CB 3.58Å; F129-L169 HydrophobicContact CB-CD1 4.1Å; F129-L169 HydrophobicContact CD1-CB 4.1Å; F129-L169 HydrophobicContact CD1-CD1 3.39Å; F129-L169 HydrophobicContact CD1-CG 4.35Å; F129-L169 HydrophobicContact CE1-CB 3.79Å; F129-L169 HydrophobicContact CE1-CD1 3.97Å; F129-L169 HydrophobicContact CE1-CG 4.49Å; F129-L169 HydrophobicContact CG-CD1 3.86Å; F129-L169 HydrophobicContact CZ-CB 4.2Å; F129-A172 HydrophobicContact CB-CB 4.11Å; F129-A172 HydrophobicContact CD2-CB 3.43Å; F129-A172 VanDerWaalsContact CD2-CB 3.43Å; F129-A172 HydrophobicContact CE2-CB 4.19Å; F129-A172 HydrophobicContact CG-CB 4.04Å |
| 130 | Q | 96.6 | Very high | 93.2 | Very high | 33 Ų | 33 | 29 Ų | 29 | 15% | 0.154 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125.9 | -179.8 | -56 | -174.3 | -4.1 | 0 | 0 | 111.3 | R111 V112 P114 W137 L138 D139 | R111-Q130 WeakPolarHBondContact O-CB 3.39Å; R111-Q130 PolarHBondContact O-OE1 3.34Å; V112-Q130 WeakPolarHBondContact CA-O 3.48Å; V112-Q130 PolarHBondContact O-N 2.88Å; P114-Q130 HydrophobicContact CG-CG 4.43Å; Q130-W137 HydrophobicContact CB-CE3 4.04Å; Q130-W137 HydrophobicContact CB-CZ3 4.43Å; Q130-L138 VanDerWaalsContact CA-O 3.31Å; Q130-L138 WeakPolarHBondContact CA-O 3.33Å; Q130-D139 WeakPolarHBondContact CG-OD1 3.31Å |
| 131 | F | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 140.9 | 174.9 | -55.1 | -69.8 | 0 | 0 | 0 | 110.5 | V112 F129 Q133 L138 V140 L169 A172 Y173 V176 D194 F195 | V112-F131 HydrophobicContact CG1-CD1 4.43Å; V112-F131 HydrophobicContact CG1-CE1 4.14Å; F129-F131 HydrophobicContact CB-CE2 3.97Å; F129-F131 HydrophobicContact CB-CZ 3.95Å; F131-Q133 HydrophobicContact CB-CG 4.48Å; F131-L138 PolarHBondContact N-O 3.29Å; F131-L138 PolarHBondContact O-N 3.24Å; F131-V140 HydrophobicContact CD2-CB 4.26Å; F131-V140 HydrophobicContact CD2-CG2 3.8Å; F131-V140 HydrophobicContact CE2-CB 4.24Å; F131-V140 HydrophobicContact CE2-CG2 4.26Å; F131-L169 HydrophobicContact CE1-CD1 3.64Å; F131-L169 HydrophobicContact CZ-CD1 3.63Å; F131-A172 HydrophobicContact CE2-CB 3.8Å; F131-A172 HydrophobicContact CZ-CB 4.06Å; F131-Y173 AromaticContact CD1-CD2 3.87Å; F131-Y173 HydrophobicContact CD1-CD2 3.87Å; F131-Y173 HydrophobicContact CD1-CE2 4.37Å; F131-Y173 AromaticContact CE1-CD2 3.72Å; F131-Y173 HydrophobicContact CE1-CD2 3.72Å; F131-Y173 HydrophobicContact CE2-CD2 4.45Å; F131-Y173 HydrophobicContact CG-CD2 4.31Å; F131-Y173 HydrophobicContact CZ-CD2 4.01Å; F131-V176 HydrophobicContact CD2-CG2 3.87Å; F131-V176 HydrophobicContact CE2-CG2 4.24Å; F131-D194 CarbonylContact C-O 3.59Å; F131-D194 WeakPolarHBondContact CA-O 3.26Å; F131-F195 AromaticContact CD1-CD1 3.99Å; F131-F195 HydrophobicContact CD1-CD1 3.99Å; F131-F195 AromaticContact CD1-CE1 3.91Å; F131-F195 HydrophobicContact CD1-CE1 3.91Å; F131-F195 HydrophobicContact CE1-CD1 4.17Å; F131-F195 AromaticContact CE1-CE1 3.71Å; F131-F195 HydrophobicContact CE1-CE1 3.71Å |
| 132 | W | 92.8 | Very high | 94.3 | Very high | 10 Ų | 10 | 17.7 Ų | 17.7 | 4% | 0.038 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 122.9 | 167.6 | -170.5 | 92.9 | 0 | 0 | 0 | 109.1 | N135 K136 W137 D194 G197 M425 L506 R508 | W132-N135 HydrophobicContact CZ2-CB 4.03Å; W132-N135 VanDerWaalsContact CZ2-N 3.34Å; W132-K136 CarbonylContact C-O 3.58Å; W132-K136 WeakPolarHBondContact CA-O 3.4Å; W132-W137 HydrophobicContact CB-CD2 4.39Å; W132-W137 HydrophobicContact CB-CE3 4.38Å; W132-W137 HydrophobicContact CB-CH2 4.31Å; W132-W137 HydrophobicContact CB-CZ2 4.29Å; W132-W137 HydrophobicContact CB-CZ3 4.35Å; W132-W137 AromaticContact CD1-CE2 3.97Å; W132-W137 AromaticContact CD1-NE1 3.81Å; W132-D194 PolarHBondContact N-O 3.39Å; W132-D194 WeakPolarHBondContact O-CA 3.29Å; W132-G197 VanDerWaalsContact CD1-CA 3.44Å; W132-G197 VanDerWaalsContact CD2-CA 3.49Å; W132-M425 HydrophobicContact CZ3-CE 4.05Å; W132-L506 HydrophobicContact CH2-CD2 4.15Å; W132-R508 VanDerWaalsContact CH2-NH1 3.3Å |
| 133 | Q | 90.1 | Very high | 94.8 | Very high | 27 Ų | 27 | 15.9 Ų | 15.9 | 13% | 0.126 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 122.3 | 178.7 | -69.8 | -66 | -61.7 | 0 | 0 | 108.7 | F131 N135 K136 L138 V176 D194 | F131-Q133 HydrophobicContact CB-CG 4.48Å; Q133-N135 VanDerWaalsContact C-N 3.35Å; Q133-N135 PolarHBondContact O-N 3.14Å; Q133-K136 PolarHBondContact N-O 3.5Å; Q133-K136 PolarHBondContact O-N 3.13Å; Q133-K136 VanDerWaalsContact O-N 3.07Å; Q133-K136 VanDerWaalsContact O-O 3.1Å; Q133-L138 HydrophobicContact CG-CD2 4.37Å; Q133-V176 HydrophobicContact CG-CG1 4.11Å; Q133-D194 PolarHBondContact NE2-OD2 2.81Å |
| 134 | H | 83.2 | Confident | 94.9 | Very high | 34 Ų | 34 | 14.5 Ų | 14.5 | 16% | 0.157 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 50 | 173.5 | -44.9 | 117.6 | 0 | 0 | 0 | 113.5 | K136 K427 N428 | H134-K136 VanDerWaalsContact C-N 3.32Å; H134-K136 PolarHBondContact O-N 3.37Å; H134-K427 VanDerWaalsContact CD2-CE 3.48Å; H134-K427 WeakPolarHBondContact CD2-CE 3.35Å; H134-K427 VanDerWaalsContact CD2-CG 3.46Å; H134-K427 WeakPolarHBondContact CD2-CG 3.32Å; H134-K427 WeakPolarHBondContact NE2-CB 3.45Å; H134-N428 PolarHBondContact CE1-OD1 3.1Å; H134-N428 VanDerWaalsContact CE1-OD1 3.23Å |
| 135 | N | 83.9 | Confident | 94.9 | Very high | 40 Ų | 40 | 15.9 Ų | 15.9 | 21% | 0.214 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 22.5 | -179.6 | -155.7 | 50.3 | 0 | 0 | 0 | 116.2 | W132 Q133 V377 L506 | W132-N135 HydrophobicContact CZ2-CB 4.03Å; W132-N135 VanDerWaalsContact CZ2-N 3.34Å; Q133-N135 VanDerWaalsContact C-N 3.35Å; Q133-N135 PolarHBondContact O-N 3.14Å; N135-V377 HydrophobicContact CB-CG1 4.17Å; N135-L506 HydrophobicContact CB-CD2 4.32Å |
| 136 | K | 88.9 | Confident | 95 | Very high | 79 Ų | 79 | 16 Ų | 16 | 34% | 0.343 | 7% | 0.074 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 148.1 | 176.8 | -60 | 176.4 | -170.8 | 165.5 | 0 | 110.6 | W132 Q133 H134 | W132-K136 CarbonylContact C-O 3.58Å; W132-K136 WeakPolarHBondContact CA-O 3.4Å; Q133-K136 PolarHBondContact N-O 3.5Å; Q133-K136 PolarHBondContact O-N 3.13Å; Q133-K136 VanDerWaalsContact O-N 3.07Å; Q133-K136 VanDerWaalsContact O-O 3.1Å; H134-K136 VanDerWaalsContact C-N 3.32Å; H134-K136 PolarHBondContact O-N 3.37Å |
| 137 | W | 92.1 | Very high | 94.8 | Very high | 7 Ų | 7 | 15.8 Ų | 15.8 | 3% | 0.027 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 129.6 | 169.2 | -73 | 90 | 0 | 0 | 0 | 110 | V15 V16 R111 V112 Q130 W132 F195 | V15-W137 WeakPolarHBondContact CA-O 3.25Å; V15-W137 HydrophobicContact CG1-CB 4.39Å; V15-W137 HydrophobicContact CG2-CB 4.15Å; V16-W137 PolarHBondContact N-O 3.48Å; R111-W137 HydrophobicContact CG-CE3 4.42Å; R111-W137 HydrophobicContact CG-CH2 4.02Å; R111-W137 HydrophobicContact CG-CZ2 4.43Å; R111-W137 HydrophobicContact CG-CZ3 4.02Å; V112-W137 HydrophobicContact CG2-CZ3 4.45Å; Q130-W137 HydrophobicContact CB-CE3 4.04Å; Q130-W137 HydrophobicContact CB-CZ3 4.43Å; W132-W137 HydrophobicContact CB-CD2 4.39Å; W132-W137 HydrophobicContact CB-CE3 4.38Å; W132-W137 HydrophobicContact CB-CH2 4.31Å; W132-W137 HydrophobicContact CB-CZ2 4.29Å; W132-W137 HydrophobicContact CB-CZ3 4.35Å; W132-W137 AromaticContact CD1-CE2 3.97Å; W132-W137 AromaticContact CD1-NE1 3.81Å; W137-F195 WeakPolarHBondContact CH2-O 3.44Å |
| 138 | L | 94.7 | Very high | 94.6 | Very high | 40 Ų | 40 | 15.7 Ų | 15.7 | 21% | 0.209 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 121 | -179.3 | -172.5 | 72.9 | 0 | 0 | 0 | 109.1 | V16 Q130 F131 Q133 V140 V176 | V16-L138 HydrophobicContact CB-CD1 4.39Å; V16-L138 HydrophobicContact CG1-CD1 4.44Å; V16-L138 CarbonylContact O-C 3.55Å; V16-L138 WeakPolarHBondContact O-CA 3.45Å; Q130-L138 VanDerWaalsContact CA-O 3.31Å; Q130-L138 WeakPolarHBondContact CA-O 3.33Å; F131-L138 PolarHBondContact N-O 3.29Å; F131-L138 PolarHBondContact O-N 3.24Å; Q133-L138 HydrophobicContact CG-CD2 4.37Å; L138-V140 HydrophobicContact CB-CG2 4.5Å; L138-V140 HydrophobicContact CD2-CG2 3.8Å; L138-V140 HydrophobicContact CG-CG2 3.9Å; L138-V176 HydrophobicContact CD2-CG2 4.35Å |
| 139 | D | 96.6 | Very high | 94.2 | Very high | 10 Ų | 10 | 16.8 Ų | 16.8 | 5% | 0.053 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 112.3 | 172.5 | -163.7 | 46.7 | 0 | 0 | 0 | 109.9 | V15 V16 S18 H128 Q130 | V15-D139 HydrophobicContact CG1-CB 3.58Å; V16-D139 PolarHBondContact O-N 3.47Å; S18-D139 VanDerWaalsContact CB-O 3.23Å; S18-D139 WeakPolarHBondContact CB-O 3.44Å; S18-D139 PolarHBondContact N-O 2.57Å; S18-D139 PolarHBondContact OG-O 2.88Å; H128-D139 IonicContact CE1-OD1 3.44Å; H128-D139 IonicContact CG-OD1 2.64Å; H128-D139 IonicContact ND1-OD1 3.03Å; H128-D139 PolarHBondContact ND1-OD1 3.5Å; H128-D139 IonicContact ND1-OD2 2.97Å; H128-D139 PolarHBondContact ND1-OD2 3.41Å; Q130-D139 WeakPolarHBondContact CG-OD1 3.31Å |
| 140 | V | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 111.7 | -172.2 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | S18 H128 F129 F131 L138 A172 K175 V176 | S18-V140 WeakPolarHBondContact OG-CA 3.26Å; H128-V140 CarbonylContact C-O 3.59Å; H128-V140 WeakPolarHBondContact CA-O 3.44Å; F129-V140 PolarHBondContact N-O 2.9Å; F129-V140 PolarHBondContact O-N 3.44Å; F131-V140 HydrophobicContact CD2-CB 4.26Å; F131-V140 HydrophobicContact CD2-CG2 3.8Å; F131-V140 HydrophobicContact CE2-CB 4.24Å; F131-V140 HydrophobicContact CE2-CG2 4.26Å; L138-V140 HydrophobicContact CB-CG2 4.5Å; L138-V140 HydrophobicContact CD2-CG2 3.8Å; L138-V140 HydrophobicContact CG-CG2 3.9Å; V140-A172 HydrophobicContact CG1-CB 4.06Å; V140-K175 HydrophobicContact CG1-CD 4.07Å; V140-K175 HydrophobicContact CG1-CG 4.48Å; V140-V176 HydrophobicContact CB-CG2 4.32Å; V140-V176 HydrophobicContact CG1-CG2 4.02Å; V140-V176 HydrophobicContact CG2-CG2 3.48Å; V140-V176 VanDerWaalsContact CG2-CG2 3.48Å |
| 141 | V | 97.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 139.5 | 176.5 | 178.4 | 0 | 0 | 0 | 0 | 109.8 | Q19 F25 L28 F39 I126 F127 H128 K175 | Q19-V141 HydrophobicContact CG-CB 4.1Å; Q19-V141 HydrophobicContact CG-CG2 4.24Å; F25-V141 HydrophobicContact CB-CG2 3.94Å; L28-V141 HydrophobicContact CD1-CG1 4.14Å; F39-V141 HydrophobicContact CE1-CG1 3.82Å; F39-V141 HydrophobicContact CZ-CG1 4.18Å; I126-V141 HydrophobicContact CD1-CG1 3.45Å; I126-V141 VanDerWaalsContact CD1-CG1 3.45Å; I126-V141 HydrophobicContact CG1-CG1 3.54Å; F127-V141 CarbonylContact O-C 3.45Å; F127-V141 WeakPolarHBondContact O-CA 3.31Å; H128-V141 HydrophobicContact CB-CG2 4.22Å; V141-K175 PolarHBondContact O-NZ 2.88Å |
| 142 | V | 98.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 150.3 | 170.9 | -70.4 | 0 | 0 | 0 | 0 | 110.7 | F127 F129 K171 A172 K175 | F127-V142 HydrophobicContact CB-CG2 4.41Å; F127-V142 PolarHBondContact N-O 3.31Å; F127-V142 PolarHBondContact O-N 3.22Å; F129-V142 HydrophobicContact CD2-CG2 4.32Å; F129-V142 HydrophobicContact CE2-CG2 4.08Å; V142-K171 HydrophobicContact CB-CD 4.39Å; V142-K171 HydrophobicContact CG1-CG 4.42Å; V142-A172 HydrophobicContact CG1-CB 3.88Å; V142-A172 HydrophobicContact CG2-CB 4.27Å; V142-K175 HydrophobicContact CG1-CD 3.88Å |
| 143 | D | 98.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 166.1 | 161 | 71.4 | 55.2 | 0 | 0 | 0 | 111.5 | F39 D41 G125 R145 K171 | F39-D143 HydrophobicContact CD1-CB 3.76Å; F39-D143 HydrophobicContact CE1-CB 4.42Å; F39-D143 WeakPolarHBondContact O-CB 3.26Å; D41-D143 HydrophobicContact CB-CB 4.29Å; D41-D143 VanDerWaalsContact CB-OD2 3.26Å; D41-D143 WeakPolarHBondContact CB-OD2 3.43Å; D41-D143 PolarHBondContact N-OD2 3.43Å; G125-D143 VanDerWaalsContact O-CA 3.24Å; G125-D143 WeakPolarHBondContact O-CA 3.37Å; G125-D143 WeakPolarHBondContact O-CB 3.36Å; D143-R145 VanDerWaalsContact CG-NE 3.35Å; D143-R145 PolarHBondContact O-N 3.35Å; D143-R145 WeakPolarHBondContact OD1-CB 3.28Å; D143-R145 WeakPolarHBondContact OD1-CG 3.42Å; D143-R145 PolarHBondContact OD1-N 3.02Å; D143-R145 IonicContact OD1-NE 3.93Å; D143-R145 PolarHBondContact OD1-NE 3.37Å; D143-R145 IonicContact OD2-CZ 2.73Å; D143-R145 VanDerWaalsContact OD2-CZ 3.24Å; D143-R145 IonicContact OD2-NE 3.68Å; D143-R145 PolarHBondContact OD2-NE 3.36Å; D143-R145 IonicContact OD2-NH2 3Å; D143-R145 PolarHBondContact OD2-NH2 3.45Å; D143-K171 PolarHBondContact O-NZ 2.88Å; D143-K171 IonicContact OD1-NZ 3.6Å; D143-K171 PolarHBondContact OD1-NZ 2.62Å |
| 144 | D | 98.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -89.9 | 12.4 | -177.8 | 70 | -8.4 | 0 | 0 | 0 | 115.4 | R65 P66 Y123 G125 F127 L146 L168 | R65-D144 WeakPolarHBondContact CD-OD1 3.46Å; R65-D144 WeakPolarHBondContact CG-OD1 3.46Å; R65-D144 IonicContact CZ-OD1 3.68Å; R65-D144 IonicContact NE-OD1 2.89Å; R65-D144 IonicContact NH1-OD1 3.6Å; R65-D144 PolarHBondContact NH1-OD1 3.05Å; P66-D144 WeakPolarHBondContact CD-O 3.48Å; P66-D144 HydrophobicContact CG-CB 4.45Å; Y123-D144 WeakPolarHBondContact CE2-OD2 3.27Å; Y123-D144 VanDerWaalsContact CZ-OD2 3.32Å; Y123-D144 PolarHBondContact OH-OD2 3.39Å; G125-D144 PolarHBondContact O-N 2.89Å; F127-D144 HydrophobicContact CD2-CB 3.83Å; F127-D144 HydrophobicContact CE2-CB 3.65Å; D144-L146 PolarHBondContact O-N 2.93Å; D144-L168 HydrophobicContact CB-CD2 4Å |
| 145 | R | 98.3 | Very high | 93.1 | Very high | 33 Ų | 33 | 39.2 Ų | 39.2 | 13% | 0.125 | 17% | 0.171 | C | C | . | . | trans | -71.3 | 121.3 | 174.3 | -60.6 | 176.1 | -73.4 | -167.4 | 1.9 | 109.6 | E40 A46 W63 R65 D143 K171 | E40-R145 VanDerWaalsContact CD-NH1 3.26Å; E40-R145 IonicContact OE1-NH1 3.75Å; E40-R145 IonicContact OE2-CZ 3.45Å; E40-R145 IonicContact OE2-NH1 2.75Å; E40-R145 PolarHBondContact OE2-NH1 2.94Å; A46-R145 HydrophobicContact CB-CB 4.44Å; W63-R145 HydrophobicContact CB-CB 4.31Å; W63-R145 HydrophobicContact CE3-CB 4.11Å; W63-R145 VanDerWaalsContact CE3-O 3.25Å; W63-R145 WeakPolarHBondContact CZ3-O 3.32Å; R65-R145 HydrophobicContact CG-CG 3.86Å; D143-R145 VanDerWaalsContact CG-NE 3.35Å; D143-R145 PolarHBondContact O-N 3.35Å; D143-R145 WeakPolarHBondContact OD1-CB 3.28Å; D143-R145 WeakPolarHBondContact OD1-CG 3.42Å; D143-R145 PolarHBondContact OD1-N 3.02Å; D143-R145 IonicContact OD1-NE 3.93Å; D143-R145 PolarHBondContact OD1-NE 3.37Å; D143-R145 IonicContact OD2-CZ 2.73Å; D143-R145 VanDerWaalsContact OD2-CZ 3.24Å; D143-R145 IonicContact OD2-NE 3.68Å; D143-R145 PolarHBondContact OD2-NE 3.36Å; D143-R145 IonicContact OD2-NH2 3Å; D143-R145 PolarHBondContact OD2-NH2 3.45Å; R145-K171 WeakPolarHBondContact O-CE 3.37Å; R145-K171 PolarHBondContact O-NZ 3.04Å | ||
| 146 | L | 97.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 145.3 | -179.4 | -68.6 | 166.7 | 0 | 0 | 0 | 110.8 | W63 K64 P66 D144 T148 L153 F164 A167 L168 K171 | W63-L146 WeakPolarHBondContact CA-O 3.41Å; K64-L146 PolarHBondContact N-O 2.86Å; K64-L146 PolarHBondContact O-N 3.31Å; P66-L146 HydrophobicContact CG-CD1 4.42Å; D144-L146 PolarHBondContact O-N 2.93Å; L146-T148 PolarHBondContact O-N 2.94Å; L146-L153 HydrophobicContact CB-CD2 3.54Å; L146-L153 HydrophobicContact CD1-CD2 3.78Å; L146-L153 HydrophobicContact CG-CD2 4.24Å; L146-F164 HydrophobicContact CD1-CD1 3.93Å; L146-A167 HydrophobicContact CD1-CB 3.87Å; L146-A167 HydrophobicContact CD2-CB 4.14Å; L146-L168 HydrophobicContact CD1-CD2 4.37Å; L146-L168 HydrophobicContact CD2-CD2 4.14Å; L146-L168 HydrophobicContact CG-CD2 4.3Å; L146-K171 HydrophobicContact CD2-CB 4.37Å; L146-K171 HydrophobicContact CD2-CD 4.25Å |
| 147 | P | 95.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.013 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 128.2 | 177.9 | 28.1 | -33.9 | 0 | 0 | 0 | 111.4 | L51 I61 I154 M155 Y180 | L51-P147 HydrophobicContact CD2-CB 3.89Å; L51-P147 HydrophobicContact CD2-CG 4.09Å; I61-P147 HydrophobicContact CG2-CB 3.8Å; P147-I154 HydrophobicContact CB-CD1 4.22Å; P147-I154 HydrophobicContact CB-CG1 4.22Å; P147-I154 HydrophobicContact CG-CG1 4.47Å; P147-I154 PolarHBondContact O-N 3.29Å; P147-M155 HydrophobicContact CG-CE 4.29Å; P147-M155 HydrophobicContact CG-CG 3.69Å; P147-Y180 HydrophobicContact CG-CE2 4.31Å |
| 148 | T | 92.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 152.8 | -178.6 | 68.3 | 0 | 0 | 0 | 0 | 112.6 | E62 K64 I69 L146 R152 L153 | E62-T148 PolarHBondContact N-O 3.31Å; E62-T148 WeakPolarHBondContact O-CA 3.4Å; E62-T148 PolarHBondContact O-N 3.48Å; E62-T148 PolarHBondContact O-OG1 3.28Å; K64-T148 HydrophobicContact CB-CG2 4.21Å; I69-T148 HydrophobicContact CD1-CG2 3.79Å; I69-T148 HydrophobicContact CG1-CG2 4.33Å; L146-T148 PolarHBondContact O-N 2.94Å; T148-R152 CarbonylContact C-O 3.58Å; T148-R152 WeakPolarHBondContact CA-O 3.5Å; T148-R152 WeakPolarHBondContact CB-O 3.23Å; T148-L153 HydrophobicContact CG2-CD2 4.11Å |
| 149 | V | 90.6 | Very high | 92.5 | Very high | 34 Ų | 34 | 37.5 Ų | 37.5 | 21% | 0.206 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 122 | 165.8 | 172.7 | 0 | 0 | 0 | 0 | 107.3 | V59 I61 N151 R152 I154 | V59-V149 HydrophobicContact CG1-CG1 3.97Å; V59-V149 HydrophobicContact CG1-CG2 3.74Å; I61-V149 HydrophobicContact CG1-CG2 4.15Å; V149-N151 VanDerWaalsContact C-N 3.32Å; V149-N151 PolarHBondContact O-N 3.31Å; V149-R152 PolarHBondContact N-O 2.89Å; V149-R152 PolarHBondContact O-N 3.21Å; V149-R152 VanDerWaalsContact O-N 3.1Å; V149-I154 HydrophobicContact CB-CG2 3.68Å; V149-I154 HydrophobicContact CG2-CD1 4.26Å; V149-I154 HydrophobicContact CG2-CG2 3.6Å |
| 150 | R | 87.2 | Confident | 91.8 | Very high | 231 Ų | 231 | 39.3 Ų | 39.3 | 87% | 0.872 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 46.9 | -177.8 | -57.1 | 175.5 | 178.9 | 173.9 | 0.2 | 112.7 | R152 | R150-R152 PolarHBondContact O-N 3.11Š|
| 151 | N | 86.8 | Confident | 91.2 | Very high | 82 Ų | 82 | 46 Ų | 46 | 44% | 0.439 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 22.8 | -178.1 | -60.3 | -10.5 | 0 | 0 | 0 | 114.9 | K64 V149 | K64-N151 PolarHBondContact NZ-OD1 3.3Å; V149-N151 VanDerWaalsContact C-N 3.32Å; V149-N151 PolarHBondContact O-N 3.31Å |
| 152 | R | 88.3 | Confident | 90.8 | Very high | 197 Ų | 197 | 48.8 Ų | 48.8 | 74% | 0.743 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 137.7 | 172.1 | -63.9 | -173.1 | 179.9 | -167.8 | -1.6 | 110 | T148 V149 R150 | T148-R152 CarbonylContact C-O 3.58Å; T148-R152 WeakPolarHBondContact CA-O 3.5Å; T148-R152 WeakPolarHBondContact CB-O 3.23Å; V149-R152 PolarHBondContact N-O 2.89Å; V149-R152 PolarHBondContact O-N 3.21Å; V149-R152 VanDerWaalsContact O-N 3.1Å; R150-R152 PolarHBondContact O-N 3.11Å |
| 153 | L | 89.6 | Confident | 90.5 | Very high | 33 Ų | 33 | 49 Ų | 49 | 17% | 0.173 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 134.7 | 170.8 | -64.8 | 173.5 | 0 | 0 | 0 | 109.1 | I69 L146 T148 H157 F164 A167 | I69-L153 HydrophobicContact CD1-CD2 4.17Å; L146-L153 HydrophobicContact CB-CD2 3.54Å; L146-L153 HydrophobicContact CD1-CD2 3.78Å; L146-L153 HydrophobicContact CG-CD2 4.24Å; T148-L153 HydrophobicContact CG2-CD2 4.11Å; L153-H157 HydrophobicContact CB-CB 4.04Å; L153-H157 HydrophobicContact CD1-CB 3.69Å; L153-F164 HydrophobicContact CD1-CD1 4.23Å; L153-F164 HydrophobicContact CD1-CE1 4.11Å; L153-A167 HydrophobicContact CD1-CB 4.21Å |
| 154 | I | 89.8 | Confident | 90.4 | Very high | 17 Ų | 17 | 49.1 Ų | 49.1 | 9% | 0.087 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -102.9 | -11.8 | 178.8 | 61 | 175.4 | 0 | 0 | 0 | 113.1 | I61 G88 Q89 P147 V149 | I61-I154 HydrophobicContact CD1-CD1 3.85Å; I61-I154 HydrophobicContact CG1-CD1 4.02Å; I61-I154 HydrophobicContact CG2-CD1 4.21Å; G88-I154 CarbonylContact C-O 3.5Å; G88-I154 WeakPolarHBondContact CA-O 3.47Å; Q89-I154 PolarHBondContact N-O 3.32Å; P147-I154 HydrophobicContact CB-CD1 4.22Å; P147-I154 HydrophobicContact CB-CG1 4.22Å; P147-I154 HydrophobicContact CG-CG1 4.47Å; P147-I154 PolarHBondContact O-N 3.29Å; V149-I154 HydrophobicContact CB-CG2 3.68Å; V149-I154 HydrophobicContact CG2-CD1 4.26Å; V149-I154 HydrophobicContact CG2-CG2 3.6Å |
| 155 | M | 90.4 | Very high | 90.3 | Very high | 14 Ų | 14 | 49.1 Ų | 49.1 | 7% | 0.069 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -103.7 | -153.5 | 176.3 | -48.9 | -58.8 | -171.4 | 0 | 0 | 109.9 | L51 G88 L90 P147 H157 E170 Y180 | L51-M155 HydrophobicContact CD2-CE 4Å; G88-M155 VanDerWaalsContact CA-O 3.3Å; G88-M155 WeakPolarHBondContact CA-O 3.41Å; L90-M155 HydrophobicContact CB-SD 4.06Å; L90-M155 HydrophobicContact CD2-SD 4.38Å; P147-M155 HydrophobicContact CG-CE 4.29Å; P147-M155 HydrophobicContact CG-CG 3.69Å; M155-H157 PolarHBondContact O-N 3.03Å; M155-H157 PolarHBondContact O-ND1 3.4Å; M155-E170 WeakPolarHBondContact CB-OE2 3.4Å; M155-Y180 HydrophobicContact CB-CE1 4.08Å; M155-Y180 HydrophobicContact CE-CD1 4.11Å; M155-Y180 HydrophobicContact CE-CG 4.07Å; M155-Y180 HydrophobicContact CG-CD1 3.93Å; M155-Y180 HydrophobicContact CG-CE1 3.75Å; M155-Y180 HydrophobicContact SD-CD1 4.19Å |
| 156 | L | 89.9 | Confident | 90.1 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -57.7 | 133.9 | 177.2 | -163.5 | 171.2 | 0 | 0 | 0 | 111.1 | I85 L96 I99 S166 A167 E170 | I85-L156 HydrophobicContact CD1-CD2 4.24Å; I85-L156 HydrophobicContact CG2-CD1 4.48Å; L96-L156 HydrophobicContact CD1-CD1 3.89Å; L96-L156 HydrophobicContact CD1-CG 4.39Å; L96-L156 HydrophobicContact CD2-CD1 4.21Å; L96-L156 HydrophobicContact CD2-CG 4.03Å; L96-L156 HydrophobicContact CG-CD1 3.64Å; L96-L156 HydrophobicContact CG-CG 4.03Å; I99-L156 HydrophobicContact CD1-CD1 3.67Å; L156-S166 WeakPolarHBondContact CD2-OG 3.39Å; L156-A167 VanDerWaalsContact O-CB 3.24Å; L156-A167 WeakPolarHBondContact O-CB 3.33Å; L156-E170 HydrophobicContact CB-CB 4.06Å; L156-E170 HydrophobicContact CB-CG 4.16Å; L156-E170 WeakPolarHBondContact CB-OE1 3.48Å; L156-E170 VanDerWaalsContact CB-OE2 3.29Å; L156-E170 WeakPolarHBondContact CB-OE2 3.13Å; L156-E170 HydrophobicContact CD1-CB 4.1Å; L156-E170 PolarHBondContact N-OE1 3.24Å; L156-E170 PolarHBondContact N-OE2 3.25Å |
| 157 | H | 88 | Confident | 90 | Very high | 60 Ų | 60 | 47.5 Ų | 47.5 | 28% | 0.278 | 23% | 0.234 | S | C | . | . | B | Isolated β-bridge | trans | -145.2 | 161.4 | 174.7 | 57.4 | -74.9 | 0 | 0 | 0 | 112.1 | D84 C86 L153 M155 | D84-H157 CarbonylContact O-C 3.56Å; C86-H157 WeakPolarHBondContact CB-O 3.47Å; C86-H157 PolarHBondContact N-O 3.37Å; C86-H157 PolarHBondContact O-N 3.13Å; L153-H157 HydrophobicContact CB-CB 4.04Å; L153-H157 HydrophobicContact CD1-CB 3.69Å; M155-H157 PolarHBondContact O-N 3.03Å; M155-H157 PolarHBondContact O-ND1 3.4Å |
| 158 | S | 87.4 | Confident | 90.1 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | trans | -77.3 | 153.8 | 169.5 | 179.8 | 0 | 0 | 0 | 0 | 111 | D84 S160 E163 | D84-S158 WeakPolarHBondContact CA-OG 3.35Å; D84-S158 WeakPolarHBondContact O-CA 3.45Å; S158-S160 WeakPolarHBondContact CB-O 3.43Å; S158-S160 PolarHBondContact O-N 3.47Å; S158-S160 PolarHBondContact OG-N 3.34Å; S158-S160 VanDerWaalsContact OG-N 3.12Å; S158-E163 PolarHBondContact OG-OE2 2.85Å | ||
| 159 | A | 81.6 | Confident | 90.4 | Very high | 67 Ų | 67 | 47.5 Ų | 47.5 | 55% | 0.554 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -63 | -23.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T83 | T83-A159 WeakPolarHBondContact O-CB 3.3Å; T83-A159 PolarHBondContact O-N 2.9Å |
| 160 | S | 82.8 | Confident | 90.7 | Very high | 47 Ų | 47 | 45.9 Ų | 45.9 | 33% | 0.329 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -85 | 131.7 | 170.1 | -56.3 | 0 | 0 | 0 | 0 | 109.8 | S158 D162 | S158-S160 WeakPolarHBondContact CB-O 3.43Å; S158-S160 PolarHBondContact O-N 3.47Å; S158-S160 PolarHBondContact OG-N 3.34Å; S158-S160 VanDerWaalsContact OG-N 3.12Å; S160-D162 WeakPolarHBondContact CB-OD1 3.41Å; S160-D162 PolarHBondContact O-N 3.4Å |
| 161 | N | 84.6 | Confident | 91.2 | Very high | 141 Ų | 141 | 35 Ų | 35 | 75% | 0.754 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -5 | -176.4 | -67.4 | -35.1 | 0 | 0 | 0 | 114 | ||
| 162 | D | 90.6 | Very high | 91.8 | Very high | 60 Ų | 60 | 31 Ų | 31 | 32% | 0.321 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 6.4 | -175.8 | 60.7 | -24.1 | 0 | 0 | 0 | 113.4 | K74 S160 F164 | K74-D162 WeakPolarHBondContact CA-O 3.29Å; K74-D162 PolarHBondContact N-O 3.29Å; S160-D162 WeakPolarHBondContact CB-OD1 3.41Å; S160-D162 PolarHBondContact O-N 3.4Å; D162-F164 VanDerWaalsContact C-CE2 3.47Å |
| 163 | E | 93 | Very high | 92.2 | Very high | 4 Ų | 4 | 21.7 Ų | 21.7 | 2% | 0.019 | 13% | 0.127 | C | C | . | . | B | Isolated β-bridge | trans | -117 | 130.1 | -177.9 | -175.1 | 177.5 | -137.4 | 0 | 0 | 112.5 | K74 V77 D84 S158 | K74-E163 WeakPolarHBondContact O-CA 3.12Å; V77-E163 HydrophobicContact CG2-CB 3.99Å; V77-E163 HydrophobicContact CG2-CG 4.27Å; V77-E163 PolarHBondContact N-OE1 2.95Å; D84-E163 WeakPolarHBondContact CB-OE2 3.22Å; S158-E163 PolarHBondContact OG-OE2 2.85Å |
| 164 | F | 95.8 | Very high | 92.5 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 1% | 0.013 | 12% | 0.118 | C | C | . | . | trans | -130.3 | -3.3 | -165 | -64.4 | -89.7 | 0 | 0 | 0 | 116.6 | P66 I69 C70 P73 K74 F119 L146 L153 D162 S166 A167 L168 | P66-F164 HydrophobicContact CB-CD1 3.97Å; P66-F164 HydrophobicContact CB-CD2 3.82Å; P66-F164 HydrophobicContact CB-CE1 3.96Å; P66-F164 HydrophobicContact CB-CE2 3.82Å; P66-F164 HydrophobicContact CB-CG 3.9Å; P66-F164 HydrophobicContact CB-CZ 3.89Å; P66-F164 HydrophobicContact CG-CB 4.25Å; P66-F164 HydrophobicContact CG-CD1 3.73Å; P66-F164 HydrophobicContact CG-CD2 4.23Å; P66-F164 HydrophobicContact CG-CE1 4.1Å; P66-F164 HydrophobicContact CG-CG 3.8Å; I69-F164 HydrophobicContact CD1-CE1 4.35Å; C70-F164 VanDerWaalsContact SG-CE2 3.59Å; P73-F164 HydrophobicContact CB-CD2 3.95Å; P73-F164 HydrophobicContact CB-CE2 3.72Å; K74-F164 PolarHBondContact O-N 3.28Å; K74-F164 VanDerWaalsContact O-N 3.15Å; F119-F164 HydrophobicContact CE2-CB 4.18Å; F119-F164 HydrophobicContact CE2-CD2 4.4Å; F119-F164 HydrophobicContact CZ-CB 4.11Å; L146-F164 HydrophobicContact CD1-CD1 3.93Å; L153-F164 HydrophobicContact CD1-CD1 4.23Å; L153-F164 HydrophobicContact CD1-CE1 4.11Å; D162-F164 VanDerWaalsContact C-CE2 3.47Å; F164-S166 PolarHBondContact O-N 2.94Å; F164-A167 PolarHBondContact O-N 2.78Å; F164-L168 HydrophobicContact CB-CD1 4.42Å; F164-L168 WeakPolarHBondContact O-CG 3.43Å; F164-L168 PolarHBondContact O-N 2.92Å; F164-L168 VanDerWaalsContact O-N 3.09Å | ||
| 165 | W | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -55.3 | -40.7 | -177.9 | 71.1 | -89.2 | 0 | 0 | 0 | 113 | F75 I76 A80 D84 I85 I99 T103 L109 V113 L168 L169 | F75-W165 HydrophobicContact CD1-CB 4.37Å; F75-W165 HydrophobicContact CD2-CB 4.08Å; F75-W165 HydrophobicContact CE1-CB 4.14Å; F75-W165 HydrophobicContact CE2-CB 3.83Å; F75-W165 HydrophobicContact CG-CB 4.34Å; F75-W165 HydrophobicContact CZ-CB 3.86Å; F75-W165 VanDerWaalsContact O-CB 3.24Å; F75-W165 WeakPolarHBondContact O-CB 3.43Å; F75-W165 PolarHBondContact O-N 3.32Å; I76-W165 HydrophobicContact CG1-CB 3.81Å; I76-W165 HydrophobicContact CG1-CG 3.74Å; A80-W165 HydrophobicContact CB-CD2 4.42Å; A80-W165 HydrophobicContact CB-CH2 4.47Å; A80-W165 HydrophobicContact CB-CZ2 3.85Å; D84-W165 HydrophobicContact CB-CZ2 3.95Å; D84-W165 PolarHBondContact OD2-NE1 3.45Å; I85-W165 HydrophobicContact CD1-CH2 3.8Å; I85-W165 HydrophobicContact CD1-CZ2 3.96Å; I99-W165 HydrophobicContact CG2-CH2 3.75Å; I99-W165 HydrophobicContact CG2-CZ3 3.95Å; T103-W165 HydrophobicContact CG2-CH2 3.88Å; T103-W165 HydrophobicContact CG2-CZ2 4.16Å; L109-W165 HydrophobicContact CD1-CH2 4.35Å; L109-W165 HydrophobicContact CD1-CZ3 4.16Å; V113-W165 HydrophobicContact CG2-CE3 4.07Å; V113-W165 HydrophobicContact CG2-CZ3 4.21Å; W165-L168 PolarHBondContact O-N 3.42Å; W165-L169 HydrophobicContact CE3-CD2 4.37Å; W165-L169 HydrophobicContact CZ3-CD2 3.86Å; W165-L169 WeakPolarHBondContact O-CB 3.48Å; W165-L169 PolarHBondContact O-N 3.05Å |
| 166 | S | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -73.5 | -37.3 | -174.3 | 61.6 | 0 | 0 | 0 | 0 | 112.3 | D84 L156 F164 L169 E170 | D84-S166 WeakPolarHBondContact O-CB 3.5Å; D84-S166 PolarHBondContact O-OG 3.15Å; L156-S166 WeakPolarHBondContact CD2-OG 3.39Å; F164-S166 PolarHBondContact O-N 2.94Å; S166-L169 PolarHBondContact O-N 2.73Å; S166-E170 PolarHBondContact O-N 2.59Å |
| 167 | A | 96.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 2% | 0.017 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.5 | -40.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L146 L153 L156 F164 K171 | L146-A167 HydrophobicContact CD1-CB 3.87Å; L146-A167 HydrophobicContact CD2-CB 4.14Å; L153-A167 HydrophobicContact CD1-CB 4.21Å; L156-A167 VanDerWaalsContact O-CB 3.24Å; L156-A167 WeakPolarHBondContact O-CB 3.33Å; F164-A167 PolarHBondContact O-N 2.78Å; A167-K171 PolarHBondContact O-N 2.89Å |
| 168 | L | 98 | Very high | 93.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -71 | -34.5 | 176.6 | -67.9 | 170.7 | 0 | 0 | 0 | 112.1 | F75 F119 F127 F129 D144 L146 F164 W165 K171 A172 | F75-L168 HydrophobicContact CD2-CD1 4.24Å; F75-L168 HydrophobicContact CE2-CD1 4.09Å; F119-L168 HydrophobicContact CZ-CD1 4.24Å; F127-L168 HydrophobicContact CB-CD1 4.47Å; F127-L168 HydrophobicContact CD1-CD1 4.13Å; F127-L168 HydrophobicContact CD2-CD1 3.83Å; F127-L168 HydrophobicContact CE1-CD1 4.36Å; F127-L168 HydrophobicContact CE2-CD1 4.09Å; F127-L168 HydrophobicContact CG-CD1 3.87Å; F127-L168 HydrophobicContact CZ-CD1 4.34Å; F129-L168 VanDerWaalsContact CE2-C 3.47Å; F129-L168 HydrophobicContact CE2-CB 3.75Å; F129-L168 WeakPolarHBondContact CE2-O 3.42Å; F129-L168 HydrophobicContact CZ-CB 3.58Å; D144-L168 HydrophobicContact CB-CD2 4Å; L146-L168 HydrophobicContact CD1-CD2 4.37Å; L146-L168 HydrophobicContact CD2-CD2 4.14Å; L146-L168 HydrophobicContact CG-CD2 4.3Å; F164-L168 HydrophobicContact CB-CD1 4.42Å; F164-L168 WeakPolarHBondContact O-CG 3.43Å; F164-L168 PolarHBondContact O-N 2.92Å; F164-L168 VanDerWaalsContact O-N 3.09Å; W165-L168 PolarHBondContact O-N 3.42Å; L168-K171 WeakPolarHBondContact O-CB 3.35Å; L168-K171 PolarHBondContact O-N 2.94Å; L168-A172 PolarHBondContact O-N 3.39Å |
| 169 | L | 97.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.6 | -47.7 | 173.8 | 179.3 | 68.8 | 0 | 0 | 0 | 111.3 | I99 V112 V113 F129 F131 W165 S166 K171 A172 Y173 | I99-L169 HydrophobicContact CD1-CD2 3.95Å; I99-L169 HydrophobicContact CG1-CD2 3.91Å; I99-L169 HydrophobicContact CG2-CD2 3.97Å; V112-L169 HydrophobicContact CG1-CD1 3.66Å; V113-L169 HydrophobicContact CG2-CD1 4.27Å; V113-L169 HydrophobicContact CG2-CD2 4.37Å; F129-L169 HydrophobicContact CB-CD1 4.1Å; F129-L169 HydrophobicContact CD1-CB 4.1Å; F129-L169 HydrophobicContact CD1-CD1 3.39Å; F129-L169 HydrophobicContact CD1-CG 4.35Å; F129-L169 HydrophobicContact CE1-CB 3.79Å; F129-L169 HydrophobicContact CE1-CD1 3.97Å; F129-L169 HydrophobicContact CE1-CG 4.49Å; F129-L169 HydrophobicContact CG-CD1 3.86Å; F129-L169 HydrophobicContact CZ-CB 4.2Å; F131-L169 HydrophobicContact CE1-CD1 3.64Å; F131-L169 HydrophobicContact CZ-CD1 3.63Å; W165-L169 HydrophobicContact CE3-CD2 4.37Å; W165-L169 HydrophobicContact CZ3-CD2 3.86Å; W165-L169 WeakPolarHBondContact O-CB 3.48Å; W165-L169 PolarHBondContact O-N 3.05Å; S166-L169 PolarHBondContact O-N 2.73Å; L169-K171 VanDerWaalsContact C-N 3.31Å; L169-K171 PolarHBondContact O-N 3.49Å; L169-A172 PolarHBondContact O-N 3.38Å; L169-Y173 WeakPolarHBondContact O-CB 3.48Å; L169-Y173 PolarHBondContact O-N 2.99Å |
| 170 | E | 97.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.1 | -43 | 174.6 | -177 | -161.9 | -137.5 | 0 | 0 | 110.9 | D92 L95 M155 L156 S166 A172 Y173 A174 Y180 L183 | D92-E170 VanDerWaalsContact OD2-OE1 3.12Å; L95-E170 HydrophobicContact CD2-CG 4.29Å; M155-E170 WeakPolarHBondContact CB-OE2 3.4Å; L156-E170 HydrophobicContact CB-CB 4.06Å; L156-E170 HydrophobicContact CB-CG 4.16Å; L156-E170 WeakPolarHBondContact CB-OE1 3.48Å; L156-E170 VanDerWaalsContact CB-OE2 3.29Å; L156-E170 WeakPolarHBondContact CB-OE2 3.13Å; L156-E170 HydrophobicContact CD1-CB 4.1Å; L156-E170 PolarHBondContact N-OE1 3.24Å; L156-E170 PolarHBondContact N-OE2 3.25Å; S166-E170 PolarHBondContact O-N 2.59Å; E170-A172 PolarHBondContact O-N 2.85Å; E170-Y173 PolarHBondContact O-N 3.06Å; E170-A174 WeakPolarHBondContact O-CB 3.23Å; E170-A174 PolarHBondContact O-N 2.95Å; E170-Y180 HydrophobicContact CG-CE1 4.05Å; E170-L183 HydrophobicContact CG-CD1 4.35Å |
| 171 | K | 98.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 15 Ų | 15 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.5 | -47 | 174.7 | -173.4 | -179.1 | 172.7 | -179.4 | 0 | 112.3 | F44 V142 D143 R145 L146 A167 L168 L169 Y173 A174 K175 Y180 | F44-K171 HydrophobicContact CD1-CG 4.33Å; F44-K171 HydrophobicContact CE1-CG 4.05Å; V142-K171 HydrophobicContact CB-CD 4.39Å; V142-K171 HydrophobicContact CG1-CG 4.42Å; D143-K171 PolarHBondContact O-NZ 2.88Å; D143-K171 IonicContact OD1-NZ 3.6Å; D143-K171 PolarHBondContact OD1-NZ 2.62Å; R145-K171 WeakPolarHBondContact O-CE 3.37Å; R145-K171 PolarHBondContact O-NZ 3.04Å; L146-K171 HydrophobicContact CD2-CB 4.37Å; L146-K171 HydrophobicContact CD2-CD 4.25Å; A167-K171 PolarHBondContact O-N 2.89Å; L168-K171 WeakPolarHBondContact O-CB 3.35Å; L168-K171 PolarHBondContact O-N 2.94Å; L169-K171 VanDerWaalsContact C-N 3.31Å; L169-K171 PolarHBondContact O-N 3.49Å; K171-Y173 VanDerWaalsContact C-N 3.28Å; K171-Y173 PolarHBondContact O-N 3.01Å; K171-A174 WeakPolarHBondContact O-CB 3.28Å; K171-A174 PolarHBondContact O-N 2.95Å; K171-K175 PolarHBondContact O-N 2.92Å; K171-Y180 WeakPolarHBondContact CA-OH 3.39Å; K171-Y180 WeakPolarHBondContact CB-OH 3.29Å; K171-Y180 HydrophobicContact CG-CE2 4.4Å; K171-Y180 WeakPolarHBondContact CG-OH 3.09Å |
| 172 | A | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.9 | -38.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F129 F131 V140 V142 L168 L169 E170 K175 V176 | F129-A172 HydrophobicContact CB-CB 4.11Å; F129-A172 HydrophobicContact CD2-CB 3.43Å; F129-A172 VanDerWaalsContact CD2-CB 3.43Å; F129-A172 HydrophobicContact CE2-CB 4.19Å; F129-A172 HydrophobicContact CG-CB 4.04Å; F131-A172 HydrophobicContact CE2-CB 3.8Å; F131-A172 HydrophobicContact CZ-CB 4.06Å; V140-A172 HydrophobicContact CG1-CB 4.06Å; V142-A172 HydrophobicContact CG1-CB 3.88Å; V142-A172 HydrophobicContact CG2-CB 4.27Å; L168-A172 PolarHBondContact O-N 3.39Å; L169-A172 PolarHBondContact O-N 3.38Å; E170-A172 PolarHBondContact O-N 2.85Å; A172-K175 WeakPolarHBondContact O-CB 3.29Å; A172-K175 PolarHBondContact O-N 3.32Å; A172-V176 WeakPolarHBondContact O-CG2 3.17Å; A172-V176 PolarHBondContact O-N 3.2Å |
| 173 | Y | 97.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 5.5 Ų | 5.5 | 0% | 0.004 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -68.6 | -37.9 | 175.5 | -160.7 | -102 | 0 | 0 | 0 | 112.7 | W94 L95 F131 L169 E170 K171 K175 V176 N177 L183 D194 F195 | W94-Y173 AromaticContact CH2-CE1 3.62Å; W94-Y173 HydrophobicContact CH2-CE1 3.62Å; W94-Y173 HydrophobicContact CZ2-CE1 4.29Å; W94-Y173 HydrophobicContact CZ3-CE1 4.27Å; L95-Y173 HydrophobicContact CD1-CD1 3.75Å; L95-Y173 HydrophobicContact CD1-CD2 4.47Å; L95-Y173 HydrophobicContact CD1-CE1 3.75Å; L95-Y173 HydrophobicContact CD1-CE2 4.46Å; L95-Y173 HydrophobicContact CD1-CG 4.11Å; L95-Y173 HydrophobicContact CD2-CD1 3.59Å; L95-Y173 HydrophobicContact CD2-CE1 4.19Å; L95-Y173 HydrophobicContact CD2-CG 4.21Å; L95-Y173 HydrophobicContact CG-CD1 4.3Å; F131-Y173 AromaticContact CD1-CD2 3.87Å; F131-Y173 HydrophobicContact CD1-CD2 3.87Å; F131-Y173 HydrophobicContact CD1-CE2 4.37Å; F131-Y173 AromaticContact CE1-CD2 3.72Å; F131-Y173 HydrophobicContact CE1-CD2 3.72Å; F131-Y173 HydrophobicContact CE2-CD2 4.45Å; F131-Y173 HydrophobicContact CG-CD2 4.31Å; F131-Y173 HydrophobicContact CZ-CD2 4.01Å; L169-Y173 WeakPolarHBondContact O-CB 3.48Å; L169-Y173 PolarHBondContact O-N 2.99Å; E170-Y173 PolarHBondContact O-N 3.06Å; K171-Y173 VanDerWaalsContact C-N 3.28Å; K171-Y173 PolarHBondContact O-N 3.01Å; Y173-K175 VanDerWaalsContact C-N 3.35Å; Y173-V176 PolarHBondContact O-N 3.01Å; Y173-N177 WeakPolarHBondContact CE1-ND2 3.23Å; Y173-N177 PolarHBondContact O-N 3.19Å; Y173-N177 VanDerWaalsContact O-N 3.08Å; Y173-N177 PolarHBondContact O-ND2 2.82Å; Y173-L183 HydrophobicContact CD1-CD1 4.22Å; Y173-L183 HydrophobicContact CD1-CD2 3.51Å; Y173-L183 HydrophobicContact CE1-CD2 3.82Å; Y173-D194 HydrophobicContact CE2-CB 3.98Å; Y173-D194 PolarHBondContact OH-OD2 3Å; Y173-F195 HydrophobicContact CD2-CE1 4.46Å; Y173-F195 HydrophobicContact CE2-CE1 4.5Å |
| 174 | A | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | F44 E170 K171 V176 N177 G178 S179 Y180 L183 | F44-A174 HydrophobicContact CZ-CB 4.04Å; E170-A174 WeakPolarHBondContact O-CB 3.23Å; E170-A174 PolarHBondContact O-N 2.95Å; K171-A174 WeakPolarHBondContact O-CB 3.28Å; K171-A174 PolarHBondContact O-N 2.95Å; A174-V176 PolarHBondContact O-N 2.84Å; A174-N177 CarbonylContact O-C 3.56Å; A174-N177 PolarHBondContact O-N 3.08Å; A174-N177 VanDerWaalsContact O-N 3.08Å; A174-G178 CarbonylContact O-C 3.53Å; A174-G178 PolarHBondContact O-N 2.8Å; A174-S179 PolarHBondContact O-N 2.77Å; A174-S179 VanDerWaalsContact O-N 3.14Å; A174-Y180 HydrophobicContact CB-CD1 3.99Å; A174-Y180 HydrophobicContact CB-CD2 4.03Å; A174-Y180 HydrophobicContact CB-CE1 4.22Å; A174-Y180 HydrophobicContact CB-CE2 4.27Å; A174-Y180 HydrophobicContact CB-CG 3.91Å; A174-L183 HydrophobicContact CB-CD1 3.81Å; A174-L183 HydrophobicContact CB-CG 4.33Å |
| 175 | K | 96.7 | Very high | 94.2 | Very high | 23 Ų | 23 | 10 Ų | 10 | 10% | 0.1 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -58.5 | -47 | 173.5 | 173.9 | 175.2 | -177.3 | 170 | 0 | 112 | D41 F44 V140 V141 V142 K171 A172 Y173 N177 G178 | D41-K175 IonicContact OD1-NZ 2.73Å; D41-K175 PolarHBondContact OD1-NZ 2.83Å; D41-K175 IonicContact OD2-NZ 3.63Å; D41-K175 PolarHBondContact OD2-NZ 2.96Å; F44-K175 HydrophobicContact CB-CB 4.12Å; F44-K175 HydrophobicContact CB-CD 3.69Å; F44-K175 HydrophobicContact CB-CG 3.81Å; F44-K175 HydrophobicContact CD1-CB 4.2Å; F44-K175 HydrophobicContact CD2-CB 3.72Å; F44-K175 HydrophobicContact CD2-CG 3.99Å; F44-K175 HydrophobicContact CE2-CB 4.11Å; F44-K175 HydrophobicContact CG-CB 3.75Å; F44-K175 HydrophobicContact CG-CD 4.27Å; F44-K175 HydrophobicContact CG-CG 3.98Å; F44-K175 HydrophobicContact CZ-CB 4.49Å; V140-K175 HydrophobicContact CG1-CD 4.07Å; V140-K175 HydrophobicContact CG1-CG 4.48Å; V141-K175 PolarHBondContact O-NZ 2.88Å; V142-K175 HydrophobicContact CG1-CD 3.88Å; K171-K175 PolarHBondContact O-N 2.92Å; A172-K175 WeakPolarHBondContact O-CB 3.29Å; A172-K175 PolarHBondContact O-N 3.32Å; Y173-K175 VanDerWaalsContact C-N 3.35Å; K175-N177 PolarHBondContact O-N 3.5Å; K175-G178 PolarHBondContact O-N 3.4Å |
| 176 | V | 94.9 | Very high | 93.7 | Very high | 9 Ų | 9 | 12 Ų | 12 | 6% | 0.055 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.6 | -30.8 | 176 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | F131 Q133 L138 V140 A172 Y173 A174 K431 | F131-V176 HydrophobicContact CD2-CG2 3.87Å; F131-V176 HydrophobicContact CE2-CG2 4.24Å; Q133-V176 HydrophobicContact CG-CG1 4.11Å; L138-V176 HydrophobicContact CD2-CG2 4.35Å; V140-V176 HydrophobicContact CB-CG2 4.32Å; V140-V176 HydrophobicContact CG1-CG2 4.02Å; V140-V176 HydrophobicContact CG2-CG2 3.48Å; V140-V176 VanDerWaalsContact CG2-CG2 3.48Å; A172-V176 WeakPolarHBondContact O-CG2 3.17Å; A172-V176 PolarHBondContact O-N 3.2Å; Y173-V176 PolarHBondContact O-N 3.01Å; A174-V176 PolarHBondContact O-N 2.84Å; V176-K431 WeakPolarHBondContact O-CE 3Å; V176-K431 PolarHBondContact O-NZ 3.01Å |
| 177 | N | 93.8 | Very high | 93.3 | Very high | 11 Ų | 11 | 13 Ų | 13 | 6% | 0.059 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -98.9 | 1.1 | -178.1 | -71.8 | -73.7 | 0 | 0 | 0 | 114.4 | Y173 A174 K175 S182 L183 R430 K431 | Y173-N177 WeakPolarHBondContact CE1-ND2 3.23Å; Y173-N177 PolarHBondContact O-N 3.19Å; Y173-N177 VanDerWaalsContact O-N 3.08Å; Y173-N177 PolarHBondContact O-ND2 2.82Å; A174-N177 CarbonylContact O-C 3.56Å; A174-N177 PolarHBondContact O-N 3.08Å; A174-N177 VanDerWaalsContact O-N 3.08Å; K175-N177 PolarHBondContact O-N 3.5Å; N177-S182 VanDerWaalsContact O-CB 3.23Å; N177-S182 WeakPolarHBondContact O-CB 3.14Å; N177-S182 PolarHBondContact O-OG 2.86Å; N177-L183 HydrophobicContact CB-CD2 3.75Å; N177-R430 HydrophobicContact CB-CB 4.19Å; N177-R430 WeakPolarHBondContact OD1-CB 3.34Å; N177-R430 VanDerWaalsContact OD1-CD 3.27Å; N177-R430 WeakPolarHBondContact OD1-CD 3.28Å; N177-K431 WeakPolarHBondContact O-CA 3.44Å |
| 178 | G | 93.3 | Very high | 93 | Very high | 38 Ų | 38 | 13 Ų | 13 | 39% | 0.392 | 10% | 0.095 | S | C | . | . | S | Bend | trans | 100.5 | -35.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A174 K175 | A174-G178 CarbonylContact O-C 3.53Å; A174-G178 PolarHBondContact O-N 2.8Å; K175-G178 PolarHBondContact O-N 3.4Å |
| 179 | S | 94.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 13.3 Ų | 13.3 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -160.4 | 166.7 | 177.4 | 70.6 | 0 | 0 | 0 | 0 | 110.9 | S50 F53 A174 E181 S182 | S50-S179 CarbonylContact O-C 3.6Å; S50-S179 VanDerWaalsContact O-CA 3.31Å; S50-S179 WeakPolarHBondContact O-CA 3.48Å; S50-S179 WeakPolarHBondContact O-CB 3.47Å; F53-S179 WeakPolarHBondContact CD1-OG 3.3Å; A174-S179 PolarHBondContact O-N 2.77Å; A174-S179 VanDerWaalsContact O-N 3.14Å; S179-E181 VanDerWaalsContact C-N 3.32Å; S179-E181 PolarHBondContact OG-N 2.99Å; S179-S182 WeakPolarHBondContact O-CB 3.22Å; S179-S182 PolarHBondContact O-N 3.32Å; S179-S182 PolarHBondContact OG-N 3.2Å; S179-S182 VanDerWaalsContact OG-N 3.08Å; S179-S182 PolarHBondContact OG-OG 3.38Å |
| 180 | Y | 93.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 0% | 0.004 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -61 | -41.9 | 169.2 | -82.6 | -87.9 | 0 | 0 | 0 | 111.6 | F44 S50 L51 W63 L90 P147 M155 E170 K171 A174 S182 L183 | F44-Y180 HydrophobicContact CE1-CD2 4.39Å; F44-Y180 HydrophobicContact CE1-CE2 4.06Å; F44-Y180 HydrophobicContact CZ-CD2 4.15Å; F44-Y180 HydrophobicContact CZ-CE2 4.27Å; S50-Y180 PolarHBondContact O-N 3.45Å; L51-Y180 HydrophobicContact CD2-CD2 3.79Å; L51-Y180 HydrophobicContact CD2-CE2 4.29Å; L51-Y180 HydrophobicContact CD2-CG 4.4Å; W63-Y180 HydrophobicContact CH2-CE2 4.11Å; L90-Y180 HydrophobicContact CD2-CD1 4.11Å; L90-Y180 WeakPolarHBondContact CD2-O 3.45Å; P147-Y180 HydrophobicContact CG-CE2 4.31Å; M155-Y180 HydrophobicContact CB-CE1 4.08Å; M155-Y180 HydrophobicContact CE-CD1 4.11Å; M155-Y180 HydrophobicContact CE-CG 4.07Å; M155-Y180 HydrophobicContact CG-CD1 3.93Å; M155-Y180 HydrophobicContact CG-CE1 3.75Å; M155-Y180 HydrophobicContact SD-CD1 4.19Å; E170-Y180 HydrophobicContact CG-CE1 4.05Å; K171-Y180 WeakPolarHBondContact CA-OH 3.39Å; K171-Y180 WeakPolarHBondContact CB-OH 3.29Å; K171-Y180 HydrophobicContact CG-CE2 4.4Å; K171-Y180 WeakPolarHBondContact CG-OH 3.09Å; A174-Y180 HydrophobicContact CB-CD1 3.99Å; A174-Y180 HydrophobicContact CB-CD2 4.03Å; A174-Y180 HydrophobicContact CB-CE1 4.22Å; A174-Y180 HydrophobicContact CB-CE2 4.27Å; A174-Y180 HydrophobicContact CB-CG 3.91Å; Y180-S182 PolarHBondContact O-N 3.1Å; Y180-L183 WeakPolarHBondContact O-CB 3.25Å; Y180-L183 PolarHBondContact O-N 3.35Å |
| 181 | E | 91.9 | Very high | 92.2 | Very high | 15 Ų | 15 | 13.7 Ų | 13.7 | 7% | 0.07 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -58.6 | -30.8 | 177.3 | 178.9 | 162.5 | -131.9 | 0 | 0 | 113.3 | L51 F52 F53 S54 S179 L183 K184 | L51-E181 WeakPolarHBondContact O-CB 3.09Å; L51-E181 PolarHBondContact O-N 2.73Å; F52-E181 WeakPolarHBondContact CA-OE2 3.34Å; F52-E181 HydrophobicContact CD1-CB 4.43Å; F53-E181 HydrophobicContact CD1-CB 4.1Å; F53-E181 HydrophobicContact CD1-CG 4.06Å; F53-E181 HydrophobicContact CE1-CB 3.91Å; F53-E181 HydrophobicContact CE1-CG 3.58Å; F53-E181 HydrophobicContact CZ-CG 3.84Å; F53-E181 PolarHBondContact N-OE2 3.36Å; S54-E181 PolarHBondContact N-OE2 3.31Å; S54-E181 PolarHBondContact OG-OE1 2.94Å; S54-E181 PolarHBondContact OG-OE2 3.45Å; S54-E181 VanDerWaalsContact OG-OE2 3.06Å; S179-E181 VanDerWaalsContact C-N 3.32Å; S179-E181 PolarHBondContact OG-N 2.99Å; E181-L183 PolarHBondContact O-N 3.48Å; E181-L183 VanDerWaalsContact O-N 3.15Å; E181-K184 HydrophobicContact CG-CD 4.1Å; E181-K184 WeakPolarHBondContact O-CB 3.36Å; E181-K184 WeakPolarHBondContact O-CG 3.3Å; E181-K184 PolarHBondContact O-N 2.97Å; E181-K184 VanDerWaalsContact O-N 3.12Å; E181-K184 IonicContact OE1-NZ 3.78Å; E181-K184 PolarHBondContact OE1-NZ 3.31Å |
| 182 | S | 91.2 | Very high | 91.9 | Very high | 3 Ų | 3 | 13.7 Ų | 13.7 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -63.7 | -18 | 176.3 | -57.6 | 0 | 0 | 0 | 0 | 113.5 | N177 S179 Y180 R430 R433 | N177-S182 VanDerWaalsContact O-CB 3.23Å; N177-S182 WeakPolarHBondContact O-CB 3.14Å; N177-S182 PolarHBondContact O-OG 2.86Å; S179-S182 WeakPolarHBondContact O-CB 3.22Å; S179-S182 PolarHBondContact O-N 3.32Å; S179-S182 PolarHBondContact OG-N 3.2Å; S179-S182 VanDerWaalsContact OG-N 3.08Å; S179-S182 PolarHBondContact OG-OG 3.38Å; Y180-S182 PolarHBondContact O-N 3.1Å; S182-R430 PolarHBondContact O-NH1 3.44Å; S182-R433 PolarHBondContact O-NH1 2.91Å |
| 183 | L | 90.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -83 | -11.5 | 177.7 | -54.8 | -174.3 | 0 | 0 | 0 | 113.4 | L90 D92 W94 L95 E170 Y173 A174 N177 Y180 E181 G185 | L90-L183 HydrophobicContact CD2-CB 4.19Å; D92-L183 HydrophobicContact CB-CB 4.07Å; W94-L183 PolarHBondContact NE1-O 2.93Å; L95-L183 HydrophobicContact CD2-CD1 4.03Å; E170-L183 HydrophobicContact CG-CD1 4.35Å; Y173-L183 HydrophobicContact CD1-CD1 4.22Å; Y173-L183 HydrophobicContact CD1-CD2 3.51Å; Y173-L183 HydrophobicContact CE1-CD2 3.82Å; A174-L183 HydrophobicContact CB-CD1 3.81Å; A174-L183 HydrophobicContact CB-CG 4.33Å; N177-L183 HydrophobicContact CB-CD2 3.75Å; Y180-L183 WeakPolarHBondContact O-CB 3.25Å; Y180-L183 PolarHBondContact O-N 3.35Å; E181-L183 PolarHBondContact O-N 3.48Å; E181-L183 VanDerWaalsContact O-N 3.15Å; L183-G185 PolarHBondContact O-N 3.3Å |
| 184 | K | 86.9 | Confident | 91.5 | Very high | 63 Ų | 63 | 13.8 Ų | 13.8 | 27% | 0.274 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -60.4 | 124.9 | 177 | -68 | 179.7 | -173.5 | 166.6 | 0 | 110.6 | L90 E181 R433 | L90-K184 HydrophobicContact CD1-CD 4.33Å; L90-K184 HydrophobicContact CD1-CG 3.57Å; L90-K184 HydrophobicContact CG-CG 4.45Å; E181-K184 HydrophobicContact CG-CD 4.1Å; E181-K184 WeakPolarHBondContact O-CB 3.36Å; E181-K184 WeakPolarHBondContact O-CG 3.3Å; E181-K184 PolarHBondContact O-N 2.97Å; E181-K184 VanDerWaalsContact O-N 3.12Å; E181-K184 IonicContact OE1-NZ 3.78Å; E181-K184 PolarHBondContact OE1-NZ 3.31Å; K184-R433 PolarHBondContact O-NH1 2.99Å |
| 185 | G | 81.4 | Confident | 91.3 | Very high | 39 Ų | 39 | 13.9 Ų | 13.9 | 40% | 0.402 | 10% | 0.099 | S | C | . | . | S | Bend | trans | 68.9 | 122.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G91 L183 R430 | G91-G185 PolarHBondContact O-N 2.98Å; L183-G185 PolarHBondContact O-N 3.3Å; G185-R430 VanDerWaalsContact O-CZ 3.3Å; G185-R430 PolarHBondContact O-NH1 3.07Å; G185-R430 PolarHBondContact O-NH2 3.44Å |
| 186 | G | 84.3 | Confident | 90.9 | Very high | 40 Ų | 40 | 12.9 Ų | 12.9 | 41% | 0.412 | 10% | 0.095 | S | C | . | . | trans | -174.5 | 177.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | W94 | W94-G186 WeakPolarHBondContact CB-O 3.45Å; W94-G186 VanDerWaalsContact CD1-N 3.35Å | ||
| 187 | S | 86.3 | Confident | 90.6 | Very high | 22 Ų | 22 | 12.6 Ų | 12.6 | 15% | 0.154 | 9% | 0.094 | C | C | . | . | trans | -105.3 | 141.7 | 175.6 | 162.5 | 0 | 0 | 0 | 0 | 109.3 | M189 E190 E356 | S187-M189 PolarHBondContact O-N 3.34Å; S187-M189 VanDerWaalsContact OG-CB 3.31Å; S187-M189 WeakPolarHBondContact OG-CB 3.47Å; S187-M189 PolarHBondContact OG-N 2.94Å; S187-E190 WeakPolarHBondContact O-CB 3.45Å; S187-E190 PolarHBondContact O-N 3.09Å; S187-E356 WeakPolarHBondContact CB-OE1 3.45Å; S187-E356 PolarHBondContact OG-OE1 3.14Å; S187-E356 PolarHBondContact OG-OE2 2.86Å | ||
| 188 | T | 90.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 12 Ų | 12 | 1% | 0.012 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.4 | -36.3 | 179.1 | -38.6 | 0 | 0 | 0 | 0 | 110.6 | W94 A97 A98 E190 A191 M192 A275 E356 | W94-T188 WeakPolarHBondContact O-CG2 3.49Å; A97-T188 HydrophobicContact CB-CG2 3.74Å; A98-T188 HydrophobicContact CB-CG2 3.89Å; T188-E190 PolarHBondContact O-N 2.97Å; T188-A191 PolarHBondContact O-N 3.33Å; T188-M192 HydrophobicContact CG2-CE 3.36Å; T188-M192 HydrophobicContact CG2-CG 4.49Å; T188-M192 HydrophobicContact CG2-SD 4.35Å; T188-M192 WeakPolarHBondContact O-CG 3.37Å; T188-M192 PolarHBondContact O-N 3.44Å; T188-A275 WeakPolarHBondContact OG1-CB 3.47Å; T188-E356 WeakPolarHBondContact CA-OE2 3.44Å; T188-E356 WeakPolarHBondContact CB-OE2 3.33Å; T188-E356 PolarHBondContact N-OE2 3.08Å; T188-E356 PolarHBondContact OG1-OE2 2.98Å |
| 189 | M | 89.7 | Confident | 89.9 | Confident | 6 Ų | 6 | 10.7 Ų | 10.7 | 3% | 0.03 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -52.3 | -38.5 | 175.6 | -162.5 | 166.3 | 71.5 | 0 | 0 | 112.6 | S187 A191 M192 E193 G200 E356 | S187-M189 PolarHBondContact O-N 3.34Å; S187-M189 VanDerWaalsContact OG-CB 3.31Å; S187-M189 WeakPolarHBondContact OG-CB 3.47Å; S187-M189 PolarHBondContact OG-N 2.94Å; M189-A191 PolarHBondContact O-N 2.92Å; M189-M192 PolarHBondContact O-N 2.94Å; M189-E193 WeakPolarHBondContact O-CG 3.16Å; M189-E193 PolarHBondContact O-N 3.23Å; M189-G200 WeakPolarHBondContact SD-CA 3.34Å; M189-E356 HydrophobicContact CB-CB 4.15Å; M189-E356 HydrophobicContact CB-CG 4.33Å; M189-E356 PolarHBondContact N-OE2 3.09Å |
| 190 | E | 91.4 | Very high | 89.5 | Confident | 11 Ų | 11 | 10.6 Ų | 10.6 | 5% | 0.051 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -56.6 | -53 | 178.5 | -170.8 | -177.2 | 161.6 | 0 | 0 | 112 | W94 S187 T188 M192 E193 D194 R430 R477 | W94-E190 HydrophobicContact CE3-CB 4.24Å; W94-E190 HydrophobicContact CH2-CB 4.46Å; W94-E190 HydrophobicContact CH2-CG 4.24Å; W94-E190 HydrophobicContact CZ3-CB 3.71Å; W94-E190 HydrophobicContact CZ3-CG 3.92Å; S187-E190 WeakPolarHBondContact O-CB 3.45Å; S187-E190 PolarHBondContact O-N 3.09Å; T188-E190 PolarHBondContact O-N 2.97Å; E190-M192 VanDerWaalsContact C-N 3.35Å; E190-E193 PolarHBondContact O-N 3.39Å; E190-D194 PolarHBondContact O-N 2.93Å; E190-D194 VanDerWaalsContact O-N 3.14Å; E190-R430 WeakPolarHBondContact OE1-CD 3.32Å; E190-R430 IonicContact OE1-CZ 3.24Å; E190-R430 IonicContact OE1-NE 2.92Å; E190-R430 PolarHBondContact OE1-NE 2.93Å; E190-R430 IonicContact OE1-NH2 3.04Å; E190-R430 IonicContact OE2-CZ 3.67Å; E190-R430 IonicContact OE2-NE 3.49Å; E190-R430 PolarHBondContact OE2-NE 3.27Å; E190-R430 IonicContact OE2-NH2 3.23Å; E190-R430 PolarHBondContact OE2-NH2 2.8Å; E190-R477 PolarHBondContact O-NH2 3.35Å; E190-R477 IonicContact OE1-NH1 2.72Å |
| 191 | A | 93.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -70.5 | -34.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | W94 L95 A98 T188 M189 E193 D194 F195 | W94-A191 HydrophobicContact CE3-CB 3.88Å; W94-A191 HydrophobicContact CZ3-CB 3.6Å; L95-A191 HydrophobicContact CD1-CB 3.67Å; A98-A191 HydrophobicContact CB-CB 3.35Å; T188-A191 PolarHBondContact O-N 3.33Å; M189-A191 PolarHBondContact O-N 2.92Å; A191-E193 VanDerWaalsContact C-N 3.34Å; A191-E193 PolarHBondContact O-N 3.48Å; A191-D194 PolarHBondContact O-N 3.02Å; A191-F195 HydrophobicContact CB-CE2 4.02Å; A191-F195 HydrophobicContact CB-CZ 4.17Å; A191-F195 WeakPolarHBondContact O-CB 3.28Å; A191-F195 WeakPolarHBondContact O-CD2 3.41Å; A191-F195 WeakPolarHBondContact O-CG 3.35Å; A191-F195 PolarHBondContact O-N 3.07Å |
| 192 | M | 92.9 | Very high | 89 | Confident | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.6 | -41.7 | 175.9 | -66.7 | 176.9 | 177.9 | 0 | 0 | 112 | A98 T188 M189 E190 D194 F195 T196 M225 M226 C358 | A98-M192 HydrophobicContact CB-CG 3.95Å; T188-M192 HydrophobicContact CG2-CE 3.36Å; T188-M192 HydrophobicContact CG2-CG 4.49Å; T188-M192 HydrophobicContact CG2-SD 4.35Å; T188-M192 WeakPolarHBondContact O-CG 3.37Å; T188-M192 PolarHBondContact O-N 3.44Å; M189-M192 PolarHBondContact O-N 2.94Å; E190-M192 VanDerWaalsContact C-N 3.35Å; M192-D194 VanDerWaalsContact C-N 3.33Å; M192-F195 PolarHBondContact O-N 3.21Å; M192-T196 WeakPolarHBondContact O-CB 3.49Å; M192-T196 WeakPolarHBondContact O-CG2 3.46Å; M192-T196 PolarHBondContact O-N 3.15Å; M192-T196 VanDerWaalsContact O-N 3.17Å; M192-T196 PolarHBondContact O-OG1 3.43Å; M192-M225 HydrophobicContact CB-CB 4.37Å; M192-M225 HydrophobicContact CB-CE 4.23Å; M192-M225 HydrophobicContact CB-SD 4.31Å; M192-M225 HydrophobicContact CE-CB 4.15Å; M192-M225 HydrophobicContact CG-CB 3.96Å; M192-M225 HydrophobicContact CG-CE 3.68Å; M192-M225 HydrophobicContact CG-SD 4.28Å; M192-M225 HydrophobicContact SD-CB 3.64Å; M192-M226 WeakPolarHBondContact CE-O 3.42Å; M192-C358 HydrophobicContact CB-CB 3.44Å; M192-C358 VanDerWaalsContact CB-CB 3.44Å; M192-C358 HydrophobicContact CG-CB 4.26Å; M192-C358 HydrophobicContact SD-CB 3.93Å |
| 193 | E | 92.1 | Very high | 88.9 | Confident | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.009 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.2 | -43.7 | 173 | -72.1 | 166.9 | -175.3 | 0 | 0 | 110.8 | M189 E190 A191 F195 T196 G197 G200 M425 R477 | M189-E193 WeakPolarHBondContact O-CG 3.16Å; M189-E193 PolarHBondContact O-N 3.23Å; E190-E193 PolarHBondContact O-N 3.39Å; A191-E193 VanDerWaalsContact C-N 3.34Å; A191-E193 PolarHBondContact O-N 3.48Å; E193-F195 PolarHBondContact O-N 3.1Å; E193-T196 PolarHBondContact O-N 2.96Å; E193-G197 WeakPolarHBondContact O-CA 3.21Å; E193-G197 PolarHBondContact O-N 3.18Å; E193-G200 PolarHBondContact OE1-N 3.28Å; E193-M425 VanDerWaalsContact OE2-CE 3.3Å; E193-M425 WeakPolarHBondContact OE2-CE 3.3Å; E193-R477 IonicContact OE2-CZ 3.63Å; E193-R477 IonicContact OE2-NE 3.11Å; E193-R477 IonicContact OE2-NH2 3.68Å; E193-R477 PolarHBondContact OE2-NH2 3.22Å |
| 194 | D | 93.9 | Very high | 88.8 | Confident | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.011 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70.5 | -20.7 | -179.3 | -67.8 | 5.7 | 0 | 0 | 0 | 112.9 | F131 W132 Q133 Y173 E190 A191 M192 R477 | F131-D194 CarbonylContact C-O 3.59Å; F131-D194 WeakPolarHBondContact CA-O 3.26Å; W132-D194 PolarHBondContact N-O 3.39Å; W132-D194 WeakPolarHBondContact O-CA 3.29Å; Q133-D194 PolarHBondContact NE2-OD2 2.81Å; Y173-D194 HydrophobicContact CE2-CB 3.98Å; Y173-D194 PolarHBondContact OH-OD2 3Å; E190-D194 PolarHBondContact O-N 2.93Å; E190-D194 VanDerWaalsContact O-N 3.14Å; A191-D194 PolarHBondContact O-N 3.02Å; M192-D194 VanDerWaalsContact C-N 3.33Å; D194-R477 IonicContact OD1-CZ 3.41Å; D194-R477 VanDerWaalsContact OD1-CZ 3.23Å; D194-R477 IonicContact OD1-NH1 3.29Å; D194-R477 PolarHBondContact OD1-NH1 3.24Å; D194-R477 IonicContact OD1-NH2 2.68Å; D194-R477 PolarHBondContact OD1-NH2 3.28Å; D194-R477 IonicContact OD2-CZ 2.78Å; D194-R477 IonicContact OD2-NH1 2.73Å; D194-R477 PolarHBondContact OD2-NH1 3.26Å |
| 195 | F | 92.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 16.9 Ų | 16.9 | 0% | 0.004 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -89.6 | -14.1 | 174.5 | -61.8 | -23.1 | 0 | 0 | 0 | 113.9 | L95 A98 I99 L102 V112 F131 W137 Y173 A191 M192 E193 M225 | L95-F195 HydrophobicContact CD1-CE1 4.44Å; L95-F195 HydrophobicContact CD1-CE2 4.38Å; L95-F195 HydrophobicContact CD1-CZ 3.63Å; A98-F195 HydrophobicContact CB-CD2 4.18Å; A98-F195 HydrophobicContact CB-CE2 3.73Å; I99-F195 HydrophobicContact CB-CE2 4.44Å; I99-F195 HydrophobicContact CG1-CE2 3.69Å; I99-F195 HydrophobicContact CG1-CZ 3.61Å; L102-F195 HydrophobicContact CB-CD2 4.28Å; L102-F195 HydrophobicContact CD1-CB 4.08Å; L102-F195 HydrophobicContact CD2-CB 4.23Å; L102-F195 HydrophobicContact CD2-CD1 4.49Å; L102-F195 HydrophobicContact CD2-CD2 3.92Å; L102-F195 HydrophobicContact CD2-CE2 4.41Å; L102-F195 HydrophobicContact CD2-CG 3.96Å; V112-F195 HydrophobicContact CG1-CD1 4.11Å; V112-F195 HydrophobicContact CG2-CB 3.95Å; V112-F195 HydrophobicContact CG2-CD1 4.24Å; V112-F195 HydrophobicContact CG2-CG 4.38Å; V112-F195 WeakPolarHBondContact CG2-O 3.44Å; F131-F195 AromaticContact CD1-CD1 3.99Å; F131-F195 HydrophobicContact CD1-CD1 3.99Å; F131-F195 AromaticContact CD1-CE1 3.91Å; F131-F195 HydrophobicContact CD1-CE1 3.91Å; F131-F195 HydrophobicContact CE1-CD1 4.17Å; F131-F195 AromaticContact CE1-CE1 3.71Å; F131-F195 HydrophobicContact CE1-CE1 3.71Å; W137-F195 WeakPolarHBondContact CH2-O 3.44Å; Y173-F195 HydrophobicContact CD2-CE1 4.46Å; Y173-F195 HydrophobicContact CE2-CE1 4.5Å; A191-F195 HydrophobicContact CB-CE2 4.02Å; A191-F195 HydrophobicContact CB-CZ 4.17Å; A191-F195 WeakPolarHBondContact O-CB 3.28Å; A191-F195 WeakPolarHBondContact O-CD2 3.41Å; A191-F195 WeakPolarHBondContact O-CG 3.35Å; A191-F195 PolarHBondContact O-N 3.07Å; M192-F195 PolarHBondContact O-N 3.21Å; E193-F195 PolarHBondContact O-N 3.1Å; F195-M225 HydrophobicContact CD2-CE 4.33Å |
| 196 | T | 88.6 | Confident | 89.1 | Confident | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -132.9 | -21.2 | -168 | 63.6 | 0 | 0 | 0 | 0 | 114.9 | M192 E193 G198 M225 M360 S361 | M192-T196 WeakPolarHBondContact O-CB 3.49Å; M192-T196 WeakPolarHBondContact O-CG2 3.46Å; M192-T196 PolarHBondContact O-N 3.15Å; M192-T196 VanDerWaalsContact O-N 3.17Å; M192-T196 PolarHBondContact O-OG1 3.43Å; E193-T196 PolarHBondContact O-N 2.96Å; T196-G198 PolarHBondContact O-N 3.38Å; T196-G198 PolarHBondContact OG1-N 3.34Å; T196-M225 HydrophobicContact CG2-SD 3.43Å; T196-M225 WeakPolarHBondContact CG2-SD 3.41Å; T196-M360 HydrophobicContact CG2-CE 3.74Å; T196-M360 HydrophobicContact CG2-SD 3.59Å; T196-M360 VanDerWaalsContact CG2-SD 3.59Å; T196-S361 PolarHBondContact O-OG 3.4Å |
| 197 | G | 87.9 | Confident | 89.3 | Confident | 3 Ų | 3 | 23.7 Ų | 23.7 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | trans | 68.8 | 8.4 | -163.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | W132 E193 S361 R508 | W132-G197 VanDerWaalsContact CD1-CA 3.44Å; W132-G197 VanDerWaalsContact CD2-CA 3.49Å; E193-G197 WeakPolarHBondContact O-CA 3.21Å; E193-G197 PolarHBondContact O-N 3.18Å; G197-S361 WeakPolarHBondContact O-CB 3.36Å; G197-R508 PolarHBondContact O-NH1 3.4Å | ||
| 198 | G | 86.3 | Confident | 89.2 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -67.7 | -179.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | T196 N359 R508 | T196-G198 PolarHBondContact O-N 3.38Å; T196-G198 PolarHBondContact OG1-N 3.34Å; G198-N359 CarbonylContact C-O 3.53Å; G198-N359 WeakPolarHBondContact CA-O 3.23Å; G198-R508 PolarHBondContact O-NH1 2.8Å; G198-R508 PolarHBondContact O-NH2 2.75Å; G198-R508 VanDerWaalsContact O-NH2 3.14Å | ||
| 199 | V | 85.8 | Confident | 88.9 | Confident | 10 Ų | 10 | 25.8 Ų | 25.8 | 6% | 0.061 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 128.7 | 176.3 | 61.4 | 0 | 0 | 0 | 0 | 109.8 | N359 V421 A423 F510 | V199-N359 HydrophobicContact CG1-CB 4.21Å; V199-N359 PolarHBondContact N-O 3.15Å; V199-N359 PolarHBondContact O-N 2.91Å; V199-V421 HydrophobicContact CG2-CG1 4.15Å; V199-A423 HydrophobicContact CG2-CB 3.93Å; V199-F510 HydrophobicContact CB-CD2 4.41Å; V199-F510 HydrophobicContact CB-CE1 4.43Å; V199-F510 HydrophobicContact CB-CE2 3.71Å; V199-F510 HydrophobicContact CB-CZ 3.73Å; V199-F510 HydrophobicContact CG1-CD2 4.46Å; V199-F510 HydrophobicContact CG1-CE1 4.38Å; V199-F510 HydrophobicContact CG1-CE2 4.17Å; V199-F510 HydrophobicContact CG1-CZ 4.14Å; V199-F510 HydrophobicContact CG2-CD2 4.2Å; V199-F510 HydrophobicContact CG2-CE2 3.64Å; V199-F510 HydrophobicContact CG2-CZ 4.2Å |
| 200 | G | 87.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 147.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | M189 E193 I357 S480 | M189-G200 WeakPolarHBondContact SD-CA 3.34Å; E193-G200 PolarHBondContact OE1-N 3.28Å; G200-I357 CarbonylContact C-O 3.54Å; G200-I357 WeakPolarHBondContact CA-O 3.18Å; G200-S480 VanDerWaalsContact O-CB 3.28Å; G200-S480 WeakPolarHBondContact O-CB 3.36Å; G200-S480 PolarHBondContact O-OG 2.95Å |
| 201 | E | 86.6 | Confident | 88.3 | Confident | 17 Ų | 17 | 36.6 Ų | 36.6 | 8% | 0.079 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 134.1 | 162 | -73.2 | -178 | -100.9 | 0 | 0 | 107.8 | Y203 I357 N359 R482 | E201-Y203 HydrophobicContact CB-CE2 4.18Å; E201-Y203 PolarHBondContact OE2-OH 3.11Å; E201-I357 PolarHBondContact N-O 2.71Å; E201-I357 PolarHBondContact O-N 3.4Å; E201-N359 PolarHBondContact OE1-ND2 3.08Å; E201-R482 IonicContact OE1-CZ 2.87Å; E201-R482 IonicContact OE1-NE 2.77Å; E201-R482 IonicContact OE1-NH2 2.69Å; E201-R482 PolarHBondContact OE1-NH2 3.41Å; E201-R482 IonicContact OE2-CZ 3.94Å; E201-R482 IonicContact OE2-NE 3.93Å; E201-R482 PolarHBondContact OE2-NE 2.97Å; E201-R482 IonicContact OE2-NH2 2.85Å |
| 202 | M | 88.1 | Confident | 88.1 | Confident | 53 Ų | 53 | 36.6 Ų | 36.6 | 26% | 0.261 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 136.6 | 179.7 | -174.9 | -178.7 | -76.9 | 0 | 0 | 111 | K354 V355 E356 M476 | M202-K354 HydrophobicContact SD-CD 4.12Å; M202-V355 CarbonylContact C-O 3.56Å; M202-V355 WeakPolarHBondContact CA-O 3.46Å; M202-E356 HydrophobicContact CE-CG 3.84Å; M202-E356 VanDerWaalsContact CE-OE1 3.32Å; M202-E356 WeakPolarHBondContact CE-OE1 3.16Å; M202-M476 HydrophobicContact CE-CE 3.97Å; M202-M476 HydrophobicContact CE-SD 3.59Å; M202-M476 VanDerWaalsContact CE-SD 3.59Å; M202-M476 HydrophobicContact SD-CE 4.1Å; M202-M476 HydrophobicContact SD-SD 4.28Å |
| 203 | Y | 88 | Confident | 87.9 | Confident | 30 Ų | 30 | 37 Ų | 37 | 12% | 0.118 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 126.2 | 173.9 | -62.5 | -89.2 | 0 | 0 | 0 | 110.6 | E201 T205 L212 I215 K354 V355 I357 | E201-Y203 HydrophobicContact CB-CE2 4.18Å; E201-Y203 PolarHBondContact OE2-OH 3.11Å; Y203-T205 PolarHBondContact O-N 3.26Å; Y203-L212 HydrophobicContact CD1-CD1 4.23Å; Y203-L212 HydrophobicContact CD2-CD1 4.17Å; Y203-L212 HydrophobicContact CG-CD1 3.91Å; Y203-I215 HydrophobicContact CE2-CG2 4.48Å; Y203-K354 CarbonylContact O-C 3.59Å; Y203-K354 WeakPolarHBondContact O-CA 3.42Å; Y203-V355 PolarHBondContact N-O 3.22Å; Y203-V355 PolarHBondContact O-N 3.2Å; Y203-I357 HydrophobicContact CD2-CD1 4.08Å; Y203-I357 HydrophobicContact CE2-CD1 3.83Å |
| 204 | E | 89 | Confident | 87.4 | Confident | 114 Ų | 114 | 40 Ų | 40 | 53% | 0.533 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 120.4 | 162.4 | -74.2 | 175.7 | -166.2 | 0 | 0 | 109.2 | K206 S207 A208 D353 | E204-K206 VanDerWaalsContact C-N 3.3Å; E204-K206 PolarHBondContact O-N 3.04Å; E204-S207 WeakPolarHBondContact CB-OG 3.38Å; E204-S207 CarbonylContact O-C 3.56Å; E204-S207 PolarHBondContact O-N 2.94Å; E204-S207 PolarHBondContact OE2-OG 2.85Å; E204-A208 WeakPolarHBondContact O-CA 3.45Å; E204-A208 VanDerWaalsContact O-CB 3.23Å; E204-A208 WeakPolarHBondContact O-CB 2.94Å; E204-A208 PolarHBondContact O-N 2.78Å; E204-D353 CarbonylContact C-O 3.6Å; E204-D353 WeakPolarHBondContact CA-O 3.4Å |
| 205 | T | 89.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -63.5 | -35.4 | -174.1 | 54.5 | 0 | 0 | 0 | 0 | 113 | Y203 A208 F348 K349 Y352 D353 V355 | Y203-T205 PolarHBondContact O-N 3.26Å; T205-A208 WeakPolarHBondContact O-CB 3.32Å; T205-F348 HydrophobicContact CG2-CE1 3.98Å; T205-F348 HydrophobicContact CG2-CZ 4.15Å; T205-K349 WeakPolarHBondContact O-CE 3.29Å; T205-Y352 WeakPolarHBondContact CB-O 3.35Å; T205-Y352 PolarHBondContact OG1-O 2.9Å; T205-D353 PolarHBondContact N-O 2.65Å; T205-D353 VanDerWaalsContact OG1-C 3.31Å; T205-D353 WeakPolarHBondContact OG1-CA 3.23Å; T205-D353 PolarHBondContact OG1-O 2.73Å; T205-D353 VanDerWaalsContact OG1-O 3.1Å; T205-V355 HydrophobicContact CG2-CG2 3.73Å |
| 206 | K | 86.9 | Confident | 86.6 | Confident | 142 Ų | 142 | 42 Ų | 42 | 62% | 0.617 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -73 | -32.4 | -176.7 | -68.7 | 170.5 | 176.6 | 160.8 | 0 | 112.4 | E204 D353 | E204-K206 VanDerWaalsContact C-N 3.3Å; E204-K206 PolarHBondContact O-N 3.04Å; K206-D353 WeakPolarHBondContact CE-OD1 3.3Å; K206-D353 IonicContact NZ-OD1 3.69Å; K206-D353 PolarHBondContact NZ-OD1 2.91Å |
| 207 | S | 86.7 | Confident | 86.4 | Confident | 81 Ų | 81 | 45.3 Ų | 45.3 | 57% | 0.566 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -107 | 8.8 | 178.3 | 61.8 | 0 | 0 | 0 | 0 | 112.5 | E204 | E204-S207 WeakPolarHBondContact CB-OG 3.38Å; E204-S207 CarbonylContact O-C 3.56Å; E204-S207 PolarHBondContact O-N 2.94Å; E204-S207 PolarHBondContact OE2-OG 2.85Å |
| 208 | A | 84.4 | Confident | 85.8 | Confident | 14 Ų | 14 | 50.7 Ų | 50.7 | 12% | 0.116 | 26% | 0.261 | C | S | . | . | trans | -64.4 | 150.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | E204 T205 L212 | E204-A208 WeakPolarHBondContact O-CA 3.45Å; E204-A208 VanDerWaalsContact O-CB 3.23Å; E204-A208 WeakPolarHBondContact O-CB 2.94Å; E204-A208 PolarHBondContact O-N 2.78Å; T205-A208 WeakPolarHBondContact O-CB 3.32Å; A208-L212 HydrophobicContact CB-CB 4.18Å; A208-L212 HydrophobicContact CB-CD2 3.54Å; A208-L212 HydrophobicContact CB-CG 4.28Å | ||
| 209 | P | 84.3 | Confident | 85.5 | Confident | 54 Ų | 54 | 51 Ų | 51 | 35% | 0.351 | 26% | 0.264 | S | S | . | . | trans | -65.7 | 151.7 | 175.3 | 31.5 | -37.6 | 0 | 0 | 0 | 111.5 | N211 L212 I215 | P209-N211 WeakPolarHBondContact CB-OD1 3.44Å; P209-N211 PolarHBondContact O-N 2.93Å; P209-N211 VanDerWaalsContact O-N 3.07Å; P209-L212 VanDerWaalsContact O-CB 3.28Å; P209-L212 WeakPolarHBondContact O-CB 3.43Å; P209-L212 PolarHBondContact O-N 3.13Å; P209-I215 HydrophobicContact CG-CD1 4.08Å | ||
| 210 | D | 86.4 | Confident | 85.2 | Confident | 157 Ų | 157 | 52 Ų | 52 | 84% | 0.84 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -26.1 | -177 | -68.7 | -29.7 | 0 | 0 | 0 | 113.5 | L212 | D210-L212 VanDerWaalsContact C-N 3.33Š|
| 211 | N | 83.9 | Confident | 84.6 | Confident | 86 Ų | 86 | 57.9 Ų | 57.9 | 46% | 0.46 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 11 | 177.9 | 69.1 | -16.8 | 0 | 0 | 0 | 114 | P209 F213 T214 I215 | P209-N211 WeakPolarHBondContact CB-OD1 3.44Å; P209-N211 PolarHBondContact O-N 2.93Å; P209-N211 VanDerWaalsContact O-N 3.07Å; N211-F213 VanDerWaalsContact C-N 3.29Å; N211-F213 PolarHBondContact O-N 2.99Å; N211-T214 WeakPolarHBondContact O-CA 3.25Å; N211-T214 WeakPolarHBondContact O-CB 3.32Å; N211-T214 PolarHBondContact O-N 3.1Å; N211-I215 PolarHBondContact O-N 2.79Å; N211-I215 WeakPolarHBondContact OD1-CD1 3.16Å |
| 212 | L | 88.5 | Confident | 83.9 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -51.6 | -43.7 | -179 | 178.9 | 65.9 | 0 | 0 | 0 | 112.8 | Y203 A208 P209 D210 T214 I215 M216 F345 | Y203-L212 HydrophobicContact CD1-CD1 4.23Å; Y203-L212 HydrophobicContact CD2-CD1 4.17Å; Y203-L212 HydrophobicContact CG-CD1 3.91Å; A208-L212 HydrophobicContact CB-CB 4.18Å; A208-L212 HydrophobicContact CB-CD2 3.54Å; A208-L212 HydrophobicContact CB-CG 4.28Å; P209-L212 VanDerWaalsContact O-CB 3.28Å; P209-L212 WeakPolarHBondContact O-CB 3.43Å; P209-L212 PolarHBondContact O-N 3.13Å; D210-L212 VanDerWaalsContact C-N 3.33Å; L212-T214 PolarHBondContact O-N 2.8Å; L212-I215 WeakPolarHBondContact O-CB 3.29Å; L212-I215 PolarHBondContact O-N 3.34Å; L212-I215 VanDerWaalsContact O-N 3.12Å; L212-M216 HydrophobicContact CD1-CG 3.99Å; L212-M216 HydrophobicContact CD1-SD 4.02Å; L212-M216 HydrophobicContact CD2-SD 4.08Å; L212-M216 HydrophobicContact CG-CG 4.2Å; L212-M216 HydrophobicContact CG-SD 3.73Å; L212-M216 WeakPolarHBondContact O-CG 3.46Å; L212-M216 PolarHBondContact O-N 3.48Å; L212-F345 HydrophobicContact CB-CZ 4.29Å; L212-F345 HydrophobicContact CD2-CZ 3.94Å; L212-F345 HydrophobicContact CG-CZ 4.01Å |
| 213 | F | 89.5 | Confident | 83.4 | Confident | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.035 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.5 | -42.2 | 176.7 | -179.1 | -92.8 | 0 | 0 | 0 | 112.1 | N211 K217 L281 K292 F345 | N211-F213 VanDerWaalsContact C-N 3.29Å; N211-F213 PolarHBondContact O-N 2.99Å; F213-K217 HydrophobicContact CE1-CD 4.26Å; F213-K217 VanDerWaalsContact O-CB 3.28Å; F213-K217 WeakPolarHBondContact O-CB 3.18Å; F213-K217 PolarHBondContact O-N 3.36Å; F213-L281 HydrophobicContact CD2-CD2 3.63Å; F213-L281 HydrophobicContact CE2-CB 4.17Å; F213-L281 HydrophobicContact CE2-CD2 3.7Å; F213-L281 HydrophobicContact CE2-CG 4.35Å; F213-L281 HydrophobicContact CG-CD2 4.3Å; F213-L281 HydrophobicContact CZ-CB 4.34Å; F213-L281 HydrophobicContact CZ-CD2 4.43Å; F213-K292 HydrophobicContact CB-CD 4.27Å; F213-K292 HydrophobicContact CD1-CD 3.82Å; F213-K292 HydrophobicContact CD1-CG 4.18Å; F213-K292 HydrophobicContact CD2-CB 3.91Å; F213-K292 HydrophobicContact CD2-CD 3.96Å; F213-K292 HydrophobicContact CD2-CG 4.16Å; F213-K292 HydrophobicContact CE1-CB 4.47Å; F213-K292 HydrophobicContact CE1-CD 4.1Å; F213-K292 HydrophobicContact CE1-CG 3.93Å; F213-K292 HydrophobicContact CE2-CB 3.56Å; F213-K292 HydrophobicContact CE2-CD 4.25Å; F213-K292 HydrophobicContact CE2-CG 3.93Å; F213-K292 HydrophobicContact CG-CD 3.75Å; F213-K292 HydrophobicContact CG-CG 4.29Å; F213-K292 HydrophobicContact CZ-CB 3.87Å; F213-K292 HydrophobicContact CZ-CD 4.31Å; F213-K292 HydrophobicContact CZ-CG 3.8Å; F213-F345 HydrophobicContact CB-CD1 4.05Å; F213-F345 HydrophobicContact CB-CE1 3.76Å; F213-F345 HydrophobicContact CB-CE2 4.38Å; F213-F345 HydrophobicContact CB-CG 4.46Å; F213-F345 HydrophobicContact CB-CZ 3.94Å; F213-F345 HydrophobicContact CD2-CB 4.15Å; F213-F345 HydrophobicContact CD2-CD1 4.14Å; F213-F345 AromaticContact CD2-CD2 3.72Å; F213-F345 HydrophobicContact CD2-CD2 3.72Å; F213-F345 HydrophobicContact CD2-CE1 4.49Å; F213-F345 HydrophobicContact CD2-CE2 4.1Å; F213-F345 AromaticContact CD2-CG 3.73Å; F213-F345 HydrophobicContact CD2-CG 3.73Å; F213-F345 HydrophobicContact CD2-CZ 4.46Å; F213-F345 HydrophobicContact CE2-CD2 4.48Å |
| 214 | T | 81.4 | Confident | 83.2 | Confident | 66 Ų | 66 | 62.7 Ų | 62.7 | 41% | 0.405 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.4 | -38.8 | 179.2 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | N211 L212 K218 | N211-T214 WeakPolarHBondContact O-CA 3.25Å; N211-T214 WeakPolarHBondContact O-CB 3.32Å; N211-T214 PolarHBondContact O-N 3.1Å; L212-T214 PolarHBondContact O-N 2.8Å; T214-K218 HydrophobicContact CG2-CD 4.29Å; T214-K218 WeakPolarHBondContact O-CB 3.5Å; T214-K218 VanDerWaalsContact O-CG 3.3Å; T214-K218 WeakPolarHBondContact O-CG 3.24Å; T214-K218 PolarHBondContact O-N 2.91Å |
| 215 | I | 82.5 | Confident | 83.2 | Confident | 44 Ų | 44 | 57.3 Ų | 57.3 | 23% | 0.226 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60 | -53.1 | 175 | -65.3 | 170.4 | 0 | 0 | 0 | 109.7 | Y203 P209 N211 L212 K217 K218 A219 I357 | Y203-I215 HydrophobicContact CE2-CG2 4.48Å; P209-I215 HydrophobicContact CG-CD1 4.08Å; N211-I215 PolarHBondContact O-N 2.79Å; N211-I215 WeakPolarHBondContact OD1-CD1 3.16Å; L212-I215 WeakPolarHBondContact O-CB 3.29Å; L212-I215 PolarHBondContact O-N 3.34Å; L212-I215 VanDerWaalsContact O-N 3.12Å; I215-K217 PolarHBondContact O-N 2.99Å; I215-K218 PolarHBondContact O-N 2.87Å; I215-A219 WeakPolarHBondContact O-CB 3.36Å; I215-A219 PolarHBondContact O-N 2.7Å; I215-I357 HydrophobicContact CG2-CD1 4.45Å |
| 216 | M | 87.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 179.3 | -66.6 | 172.1 | 70.8 | 0 | 0 | 111.8 | L212 K218 A219 L220 M226 I278 L281 I294 F345 F348 V355 I357 | L212-M216 HydrophobicContact CD1-CG 3.99Å; L212-M216 HydrophobicContact CD1-SD 4.02Å; L212-M216 HydrophobicContact CD2-SD 4.08Å; L212-M216 HydrophobicContact CG-CG 4.2Å; L212-M216 HydrophobicContact CG-SD 3.73Å; L212-M216 WeakPolarHBondContact O-CG 3.46Å; L212-M216 PolarHBondContact O-N 3.48Å; M216-K218 PolarHBondContact O-N 2.89Å; M216-A219 PolarHBondContact O-N 2.91Å; M216-L220 PolarHBondContact O-N 3.13Å; M216-M226 HydrophobicContact CB-SD 4.26Å; M216-M226 VanDerWaalsContact O-CE 3.28Å; M216-M226 WeakPolarHBondContact O-CE 3.49Å; M216-I278 HydrophobicContact CE-CD1 3.53Å; M216-I278 HydrophobicContact CE-CG2 4.45Å; M216-L281 HydrophobicContact CB-CD1 4.13Å; M216-L281 HydrophobicContact CB-CD2 3.74Å; M216-L281 HydrophobicContact CE-CD1 4.35Å; M216-L281 HydrophobicContact CE-CD2 4.39Å; M216-I294 HydrophobicContact CE-CD1 3.87Å; M216-F345 HydrophobicContact CE-CE2 4.43Å; M216-F345 HydrophobicContact SD-CE2 3.78Å; M216-F345 HydrophobicContact SD-CZ 4Å; M216-F348 HydrophobicContact CE-CE1 4.39Å; M216-V355 HydrophobicContact CE-CG1 3.84Å; M216-V355 HydrophobicContact CE-CG2 4.24Å; M216-V355 HydrophobicContact CG-CG1 4.44Å; M216-V355 HydrophobicContact SD-CG1 4.18Å; M216-V355 HydrophobicContact SD-CG2 4.3Å; M216-I357 HydrophobicContact CG-CD1 4.13Å |
| 217 | K | 83.3 | Confident | 83.5 | Confident | 73 Ų | 73 | 50.6 Ų | 50.6 | 32% | 0.317 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61 | -48.3 | 177.4 | -172.7 | 174.4 | -178 | 179.4 | 0 | 111.7 | F213 I215 A219 L220 D221 | F213-K217 HydrophobicContact CE1-CD 4.26Å; F213-K217 VanDerWaalsContact O-CB 3.28Å; F213-K217 WeakPolarHBondContact O-CB 3.18Å; F213-K217 PolarHBondContact O-N 3.36Å; I215-K217 PolarHBondContact O-N 2.99Å; K217-A219 VanDerWaalsContact C-N 3.29Å; K217-A219 PolarHBondContact O-N 3.23Å; K217-L220 PolarHBondContact O-N 3.33Å; K217-D221 WeakPolarHBondContact O-CB 3.44Å; K217-D221 PolarHBondContact O-N 3.49Å |
| 218 | K | 75.4 | Confident | 83.8 | Confident | 115 Ų | 115 | 46.8 Ų | 46.8 | 50% | 0.5 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.9 | -39.2 | 176.5 | -75.4 | 178.7 | 177.2 | -175.9 | 0 | 112.3 | T214 I215 M216 D221 R222 | T214-K218 HydrophobicContact CG2-CD 4.29Å; T214-K218 WeakPolarHBondContact O-CB 3.5Å; T214-K218 VanDerWaalsContact O-CG 3.3Å; T214-K218 WeakPolarHBondContact O-CG 3.24Å; T214-K218 PolarHBondContact O-N 2.91Å; I215-K218 PolarHBondContact O-N 2.87Å; M216-K218 PolarHBondContact O-N 2.89Å; K218-D221 PolarHBondContact O-N 2.95Å; K218-R222 WeakPolarHBondContact O-CB 3.39Å; K218-R222 WeakPolarHBondContact O-CD 3.27Å; K218-R222 WeakPolarHBondContact O-CG 3.41Å; K218-R222 PolarHBondContact O-N 3.24Å |
| 219 | A | 80.4 | Confident | 84.1 | Confident | 6 Ų | 6 | 47 Ų | 47 | 5% | 0.05 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.8 | -41.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I215 M216 K217 R222 G223 S224 M226 I357 | I215-A219 WeakPolarHBondContact O-CB 3.36Å; I215-A219 PolarHBondContact O-N 2.7Å; M216-A219 PolarHBondContact O-N 2.91Å; K217-A219 VanDerWaalsContact C-N 3.29Å; K217-A219 PolarHBondContact O-N 3.23Å; A219-R222 CarbonylContact O-C 3.56Å; A219-R222 PolarHBondContact O-N 3.44Å; A219-G223 PolarHBondContact O-N 2.77Å; A219-S224 WeakPolarHBondContact O-CB 3.35Å; A219-S224 PolarHBondContact O-N 3.23Å; A219-S224 PolarHBondContact O-OG 3.22Å; A219-S224 VanDerWaalsContact O-OG 3.14Å; A219-M226 HydrophobicContact CB-CE 3.32Å; A219-I357 HydrophobicContact CB-CG2 3.9Å |
| 220 | L | 79.6 | Confident | 84.3 | Confident | 33 Ų | 33 | 44.8 Ų | 44.8 | 17% | 0.173 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.3 | -44.7 | 174.5 | -81.8 | -173.3 | 0 | 0 | 0 | 111.6 | M216 K217 R222 G223 M226 L281 | M216-L220 PolarHBondContact O-N 3.13Å; K217-L220 PolarHBondContact O-N 3.33Å; L220-R222 PolarHBondContact O-N 3.11Å; L220-G223 PolarHBondContact O-N 3.41Å; L220-M226 HydrophobicContact CB-CE 4.06Å; L220-M226 HydrophobicContact CD2-CE 3.64Å; L220-M226 HydrophobicContact CD2-CG 4.46Å; L220-M226 HydrophobicContact CD2-SD 3.98Å; L220-M226 HydrophobicContact CG-CE 3.45Å; L220-M226 VanDerWaalsContact CG-CE 3.45Å; L220-M226 HydrophobicContact CG-SD 3.85Å; L220-L281 HydrophobicContact CD1-CB 4.46Å; L220-L281 HydrophobicContact CD1-CD1 3.3Å; L220-L281 HydrophobicContact CD1-CG 4.45Å; L220-L281 HydrophobicContact CG-CD1 4.12Å |
| 221 | D | 74.2 | Confident | 84.1 | Confident | 123 Ų | 123 | 38.8 Ų | 38.8 | 66% | 0.658 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -61 | -29.1 | 177.9 | -67 | -19.7 | 0 | 0 | 0 | 111.7 | K217 K218 G223 | K217-D221 WeakPolarHBondContact O-CB 3.44Å; K217-D221 PolarHBondContact O-N 3.49Å; K218-D221 PolarHBondContact O-N 2.95Å; D221-G223 VanDerWaalsContact C-N 3.33Å |
| 222 | R | 72.8 | Confident | 83.6 | Confident | 176 Ų | 176 | 36.7 Ų | 36.7 | 66% | 0.664 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 3.5 | 175.6 | -73 | 171.3 | 178.8 | 175.5 | -4.5 | 114.3 | K218 A219 L220 | K218-R222 WeakPolarHBondContact O-CB 3.39Å; K218-R222 WeakPolarHBondContact O-CD 3.27Å; K218-R222 WeakPolarHBondContact O-CG 3.41Å; K218-R222 PolarHBondContact O-N 3.24Å; A219-R222 CarbonylContact O-C 3.56Å; A219-R222 PolarHBondContact O-N 3.44Å; L220-R222 PolarHBondContact O-N 3.11Å |
| 223 | G | 77 | Confident | 81.9 | Confident | 21 Ų | 21 | 40.6 Ų | 40.6 | 22% | 0.216 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -2.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | K105 A219 L220 D221 | K105-G223 WeakPolarHBondContact CE-O 3.42Å; K105-G223 VanDerWaalsContact NZ-C 3.26Å; K105-G223 VanDerWaalsContact NZ-CA 3.3Å; K105-G223 PolarHBondContact NZ-O 2.8Å; A219-G223 PolarHBondContact O-N 2.77Å; L220-G223 PolarHBondContact O-N 3.41Å; D221-G223 VanDerWaalsContact C-N 3.33Å |
| 224 | S | 84.1 | Confident | 79.9 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | trans | -57.8 | 149 | 179.9 | -54.9 | 0 | 0 | 0 | 0 | 112.4 | A219 C358 N359 | A219-S224 WeakPolarHBondContact O-CB 3.35Å; A219-S224 PolarHBondContact O-N 3.23Å; A219-S224 PolarHBondContact O-OG 3.22Å; A219-S224 VanDerWaalsContact O-OG 3.14Å; S224-C358 WeakPolarHBondContact CA-O 3.24Å; S224-C358 VanDerWaalsContact CB-O 3.26Å; S224-C358 WeakPolarHBondContact CB-O 3.38Å; S224-N359 PolarHBondContact OG-OD1 2.87Å | ||
| 225 | M | 89.3 | Confident | 78.1 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 147.2 | 169.7 | -67 | 173.2 | 69.5 | 0 | 0 | 109.6 | A98 L102 K105 M192 F195 T196 C358 | A98-M225 VanDerWaalsContact O-CE 3.24Å; A98-M225 WeakPolarHBondContact O-CE 3.04Å; L102-M225 HydrophobicContact CB-CE 3.97Å; L102-M225 HydrophobicContact CD1-CE 4.49Å; L102-M225 HydrophobicContact CD1-SD 4.47Å; K105-M225 HydrophobicContact CG-CG 4.34Å; M192-M225 HydrophobicContact CB-CB 4.37Å; M192-M225 HydrophobicContact CB-CE 4.23Å; M192-M225 HydrophobicContact CB-SD 4.31Å; M192-M225 HydrophobicContact CE-CB 4.15Å; M192-M225 HydrophobicContact CG-CB 3.96Å; M192-M225 HydrophobicContact CG-CE 3.68Å; M192-M225 HydrophobicContact CG-SD 4.28Å; M192-M225 HydrophobicContact SD-CB 3.64Å; F195-M225 HydrophobicContact CD2-CE 4.33Å; T196-M225 HydrophobicContact CG2-SD 3.43Å; T196-M225 WeakPolarHBondContact CG2-SD 3.41Å; M225-C358 HydrophobicContact CB-CB 4.38Å; M225-C358 PolarHBondContact N-O 2.94Å; M225-C358 PolarHBondContact O-N 2.94Å |
| 226 | M | 90.3 | Very high | 75.8 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 142.8 | -178.2 | -68.7 | 177.2 | -147 | 0 | 0 | 113.2 | S101 M192 M216 A219 L220 I278 E356 I357 | S101-M226 PolarHBondContact OG-O 3.04Å; M192-M226 WeakPolarHBondContact CE-O 3.42Å; M216-M226 HydrophobicContact CB-SD 4.26Å; M216-M226 VanDerWaalsContact O-CE 3.28Å; M216-M226 WeakPolarHBondContact O-CE 3.49Å; A219-M226 HydrophobicContact CB-CE 3.32Å; L220-M226 HydrophobicContact CB-CE 4.06Å; L220-M226 HydrophobicContact CD2-CE 3.64Å; L220-M226 HydrophobicContact CD2-CG 4.46Å; L220-M226 HydrophobicContact CD2-SD 3.98Å; L220-M226 HydrophobicContact CG-CE 3.45Å; L220-M226 VanDerWaalsContact CG-CE 3.45Å; L220-M226 HydrophobicContact CG-SD 3.85Å; M226-I278 HydrophobicContact CB-CB 3.76Å; M226-I278 HydrophobicContact CB-CD1 4.27Å; M226-I278 HydrophobicContact CB-CG1 4.44Å; M226-I278 HydrophobicContact CB-CG2 4.4Å; M226-I278 PolarHBondContact O-N 3.25Å; M226-E356 CarbonylContact C-O 3.58Å; M226-E356 VanDerWaalsContact CA-O 3.25Å; M226-E356 WeakPolarHBondContact CA-O 3.5Å; M226-I357 HydrophobicContact CE-CG2 4.13Å; M226-I357 HydrophobicContact CG-CB 4.35Å; M226-I357 HydrophobicContact CG-CG1 4.1Å; M226-I357 HydrophobicContact CG-CG2 4.1Å; M226-I357 HydrophobicContact SD-CG1 4.41Å |
| 227 | G | 92.6 | Very high | 73.4 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 164.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y276 E356 | G227-Y276 CarbonylContact C-O 3.6Å; G227-Y276 WeakPolarHBondContact CA-O 3.49Å; G227-E356 PolarHBondContact N-O 2.87Å; G227-E356 PolarHBondContact O-N 3.5Å |
| 228 | C | 92.3 | Very high | 71.2 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 158.7 | 167.9 | 52.4 | 0 | 0 | 0 | 0 | 110.7 | Y276 I278 F348 Y352 K354 | C228-Y276 PolarHBondContact N-O 3.07Å; C228-Y276 PolarHBondContact O-N 3.21Å; C228-I278 HydrophobicContact CB-CD1 3.93Å; C228-I278 HydrophobicContact CB-CG1 4.23Å; C228-F348 HydrophobicContact CB-CE2 3.84Å; C228-F348 HydrophobicContact CB-CZ 3.98Å; C228-Y352 HydrophobicContact CB-CD1 3.88Å; C228-Y352 HydrophobicContact CB-CE1 4.44Å; C228-K354 WeakPolarHBondContact CA-O 3.44Å; C228-K354 VanDerWaalsContact CB-O 3.22Å; C228-K354 WeakPolarHBondContact CB-O 3.17Å |
| 229 | S | 91.1 | Very high | 69.4 | Low | 19 Ų | 19 | 56.1 Ų | 56.1 | 13% | 0.133 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 161.2 | 178 | 63.7 | 0 | 0 | 0 | 0 | 111.4 | D353 K354 | S229-D353 PolarHBondContact O-N 3.36Å; S229-K354 PolarHBondContact N-O 3.29Å; S229-K354 PolarHBondContact O-N 3.09Å |
| 230 | I | 88.7 | Confident | 67.1 | Low | 8 Ų | 8 | 60.1 Ų | 60.1 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 121.6 | 171 | -47.6 | 178.4 | 0 | 0 | 0 | 105.9 | L270 K272 G273 N351 Y352 D353 | I230-L270 HydrophobicContact CD1-CB 3.68Å; I230-L270 HydrophobicContact CD1-CD1 3.86Å; I230-L270 HydrophobicContact CD1-CG 4.38Å; I230-K272 HydrophobicContact CB-CG 4.49Å; I230-K272 HydrophobicContact CG2-CG 3.85Å; I230-G273 PolarHBondContact O-N 3.02Å; I230-N351 WeakPolarHBondContact CG1-O 3.42Å; I230-N351 WeakPolarHBondContact CG2-O 3.37Å; I230-Y352 HydrophobicContact CD1-CD1 4.27Å; I230-Y352 HydrophobicContact CD1-CE1 4.14Å; I230-Y352 HydrophobicContact CG1-CD1 3.62Å; I230-Y352 HydrophobicContact CG1-CE1 3.9Å; I230-Y352 HydrophobicContact CG1-CG 4.08Å; I230-D353 WeakPolarHBondContact CA-OD2 3.3Å |
| 231 | D | 82.8 | Confident | 65 | Low | 30 Ų | 30 | 65.6 Ų | 65.6 | 16% | 0.16 | 37% | 0.371 | C | S | . | . | trans | -71.1 | 152.2 | 179.7 | -74.9 | -11.7 | 0 | 0 | 0 | 109.9 | Q236 D353 K354 | D231-Q236 PolarHBondContact OD2-NE2 3.07Å; D231-D353 HydrophobicContact CB-CB 4.31Å; D231-D353 PolarHBondContact N-OD2 3.44Å; D231-K354 IonicContact OD1-NZ 2.73Å; D231-K354 PolarHBondContact OD1-NZ 2.81Å; D231-K354 VanDerWaalsContact OD2-CE 3.25Å; D231-K354 WeakPolarHBondContact OD2-CE 3.36Å; D231-K354 IonicContact OD2-NZ 3.24Å; D231-K354 PolarHBondContact OD2-NZ 2.75Å | ||
| 232 | D | 72.2 | Confident | 63.6 | Low | 42 Ų | 42 | 65.1 Ų | 65.1 | 23% | 0.225 | 37% | 0.366 | C | S | . | . | trans | -93.2 | 107.4 | 171.9 | -164.8 | 4.9 | 0 | 0 | 0 | 109.9 | E234 A235 | D232-E234 PolarHBondContact O-N 2.88Å; D232-A235 PolarHBondContact O-N 3.26Å; D232-A235 VanDerWaalsContact O-N 3.17Å | ||
| 233 | D | 53.4 | Low | 62 | Low | 83 Ų | 83 | 62.7 Ų | 62.7 | 44% | 0.444 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.4 | -24 | -171.4 | -62.4 | -59 | 0 | 0 | 0 | 113.4 | K272 | D233-K272 IonicContact OD2-NZ 3.69Å; D233-K272 PolarHBondContact OD2-NZ 3.19Å |
| 234 | E | 46 | Very low | 60.2 | Low | 168 Ų | 168 | 63.3 Ų | 63.3 | 79% | 0.785 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -74.9 | -23.9 | 179 | -75.8 | -174.4 | 173.1 | 0 | 0 | 113.1 | D232 | D232-E234 PolarHBondContact O-N 2.88Å |
| 235 | A | 43.7 | Very low | 57.9 | Low | 68 Ų | 68 | 72.7 Ų | 72.7 | 56% | 0.562 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -77.3 | -21.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D232 S238 | D232-A235 PolarHBondContact O-N 3.26Å; D232-A235 VanDerWaalsContact O-N 3.17Å; A235-S238 PolarHBondContact O-OG 3.39Å |
| 236 | Q | 36 | Very low | 55.3 | Low | 122 Ų | 122 | 81.7 Ų | 81.7 | 57% | 0.57 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -83.8 | -22.8 | -176.4 | -67.1 | -166.5 | 5.1 | 0 | 0 | 114.3 | D231 S238 G239 | D231-Q236 PolarHBondContact OD2-NE2 3.07Å; Q236-S238 VanDerWaalsContact C-N 3.26Å; Q236-S238 PolarHBondContact O-N 3.06Å; Q236-G239 PolarHBondContact O-N 3.46Å |
| 237 | L | 35.4 | Very low | 53 | Low | 148 Ų | 148 | 85.5 Ų | 85.5 | 78% | 0.775 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -12.7 | -177.7 | -84.1 | 148.5 | 0 | 0 | 0 | 114.3 | ||
| 238 | S | 37.6 | Very low | 50.6 | Low | 62 Ų | 62 | 90.9 Ų | 90.9 | 43% | 0.434 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -8.3 | 178.2 | 64.9 | 0 | 0 | 0 | 0 | 114.4 | A235 Q236 | A235-S238 PolarHBondContact O-OG 3.39Å; Q236-S238 VanDerWaalsContact C-N 3.26Å; Q236-S238 PolarHBondContact O-N 3.06Å |
| 239 | G | 37.2 | Very low | 48 | Very low | 64 Ų | 64 | 100.1 Ų | 100.1 | 66% | 0.66 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -93.2 | -6.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 117 | Q236 | Q236-G239 PolarHBondContact O-N 3.46Š|
| 240 | S | 33.2 | Very low | 45.5 | Very low | 90 Ų | 90 | 105.9 Ų | 105.9 | 63% | 0.629 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -113.6 | -1.5 | -165.9 | 52.8 | 0 | 0 | 0 | 0 | 117.1 | ||
| 241 | N | 36.1 | Very low | 43.1 | Very low | 148 Ų | 148 | 111.1 Ų | 111.1 | 79% | 0.791 | 59% | 0.59 | S | S | * | * | trans | -147.6 | 84.7 | 174.6 | -80.5 | -42.4 | 0 | 0 | 0 | 111.7 | ||||
| 242 | M | 44 | Very low | 40.8 | Very low | 113 Ų | 113 | 114.7 Ų | 114.7 | 56% | 0.557 | 61% | 0.608 | S | S | * | * | trans | -101.3 | 103.6 | 176.7 | -82.3 | -68.4 | -73.1 | 0 | 0 | 111 | ||||
| 243 | S | 38.4 | Very low | 38.9 | Very low | 125 Ų | 125 | 119.6 Ų | 119.6 | 87% | 0.874 | 63% | 0.628 | S | S | * | * | trans | -141.7 | 8.5 | 172.5 | 65.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 244 | G | 39.1 | Very low | 38 | Very low | 33 Ų | 33 | 119.6 Ų | 119.6 | 34% | 0.34 | 63% | 0.631 | S | S | . | * | trans | -121.4 | 128.5 | -173 | 0 | 0 | 0 | 0 | 0 | 115.4 | F246 D247 | G244-F246 PolarHBondContact O-N 2.89Å; G244-F246 VanDerWaalsContact O-N 3.15Å; G244-D247 PolarHBondContact O-N 3.39Å | ||
| 245 | F | 37.7 | Very low | 37.5 | Very low | 200 Ų | 200 | 118.6 Ų | 118.6 | 88% | 0.877 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -12.2 | 175.1 | -148.6 | -95.7 | 0 | 0 | 0 | 113.8 | ||
| 246 | F | 34.2 | Very low | 37.1 | Very low | 192 Ų | 192 | 121.1 Ų | 121.1 | 84% | 0.842 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -22.2 | 177.2 | -121.1 | -96.3 | 0 | 0 | 0 | 113.1 | G244 | G244-F246 PolarHBondContact O-N 2.89Å; G244-F246 VanDerWaalsContact O-N 3.15Å |
| 247 | D | 41.6 | Very low | 36.7 | Very low | 80 Ų | 80 | 118 Ų | 118 | 43% | 0.428 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -83.3 | -17.6 | -176.7 | -67.6 | -40.6 | 0 | 0 | 0 | 113.2 | G244 Y249 F250 Y251 | G244-D247 PolarHBondContact O-N 3.39Å; D247-Y249 VanDerWaalsContact C-N 3.32Å; D247-Y249 PolarHBondContact O-N 3.05Å; D247-F250 PolarHBondContact O-N 2.49Å; D247-Y251 WeakPolarHBondContact O-CB 3.3Å; D247-Y251 PolarHBondContact O-N 3.4Å |
| 248 | L | 42.3 | Very low | 36.9 | Very low | 114 Ų | 114 | 113.5 Ų | 113.5 | 60% | 0.597 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.7 | -32.3 | 177.6 | -155.8 | 74.8 | 0 | 0 | 0 | 112.3 | L252 | L248-L252 PolarHBondContact O-N 3.23Å |
| 249 | Y | 38.4 | Very low | 37.1 | Very low | 194 Ų | 194 | 113 Ų | 113 | 76% | 0.761 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -76.7 | -29.3 | 176.1 | -122 | -94.4 | 0 | 0 | 0 | 112.1 | D247 F253 | D247-Y249 VanDerWaalsContact C-N 3.32Å; D247-Y249 PolarHBondContact O-N 3.05Å; Y249-F253 WeakPolarHBondContact O-CB 3.33Å; Y249-F253 PolarHBondContact O-N 3.12Å |
| 250 | F | 37.5 | Very low | 37.1 | Very low | 140 Ų | 140 | 113.3 Ų | 113.3 | 61% | 0.614 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -74.5 | -38.9 | 173.4 | -168.6 | -104.6 | 0 | 0 | 0 | 111.2 | D247 L252 F253 V254 | D247-F250 PolarHBondContact O-N 2.49Å; F250-L252 PolarHBondContact O-N 3.37Å; F250-F253 PolarHBondContact O-N 3.32Å; F250-F253 VanDerWaalsContact O-N 3.12Å; F250-V254 HydrophobicContact CD1-CG2 4.05Å; F250-V254 HydrophobicContact CE1-CG2 3.75Å; F250-V254 HydrophobicContact CZ-CG2 4.01Å; F250-V254 WeakPolarHBondContact O-CG2 3.31Å; F250-V254 PolarHBondContact O-N 2.83Å |
| 251 | Y | 38.7 | Very low | 37.5 | Very low | 118 Ų | 118 | 116.3 Ų | 116.3 | 46% | 0.463 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.4 | -41.4 | 175.6 | -136.3 | -92.1 | 0 | 0 | 0 | 112.4 | D247 F253 Q255 | D247-Y251 WeakPolarHBondContact O-CB 3.3Å; D247-Y251 PolarHBondContact O-N 3.4Å; Y251-F253 VanDerWaalsContact C-N 3.29Å; Y251-F253 PolarHBondContact O-N 3.36Å; Y251-Q255 PolarHBondContact O-N 3.18Å |
| 252 | L | 34.7 | Very low | 38.2 | Very low | 104 Ų | 104 | 111.4 Ų | 111.4 | 55% | 0.545 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.8 | -30.9 | 174.5 | -163.5 | 70.9 | 0 | 0 | 0 | 112.1 | L248 F250 I256 | L248-L252 PolarHBondContact O-N 3.23Å; F250-L252 PolarHBondContact O-N 3.37Å; L252-I256 VanDerWaalsContact O-CD1 3.25Å; L252-I256 WeakPolarHBondContact O-CD1 3.22Å; L252-I256 VanDerWaalsContact O-CG1 3.29Å; L252-I256 WeakPolarHBondContact O-CG1 3.43Å |
| 253 | F | 30.8 | Very low | 39.2 | Very low | 145 Ų | 145 | 107.7 Ų | 107.7 | 64% | 0.636 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -78.6 | -33.9 | 179.9 | -157.4 | -95.5 | 0 | 0 | 0 | 113 | Y249 F250 Y251 I256 S257 | Y249-F253 WeakPolarHBondContact O-CB 3.33Å; Y249-F253 PolarHBondContact O-N 3.12Å; F250-F253 PolarHBondContact O-N 3.32Å; F250-F253 VanDerWaalsContact O-N 3.12Å; Y251-F253 VanDerWaalsContact C-N 3.29Å; Y251-F253 PolarHBondContact O-N 3.36Å; F253-I256 PolarHBondContact O-N 2.88Å; F253-S257 PolarHBondContact O-OG 3.34Å |
| 254 | V | 36.6 | Very low | 40.7 | Very low | 83 Ų | 83 | 103.9 Ų | 103.9 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.9 | -35.3 | 176.2 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | F250 I256 S257 | F250-V254 HydrophobicContact CD1-CG2 4.05Å; F250-V254 HydrophobicContact CE1-CG2 3.75Å; F250-V254 HydrophobicContact CZ-CG2 4.01Å; F250-V254 WeakPolarHBondContact O-CG2 3.31Å; F250-V254 PolarHBondContact O-N 2.83Å; V254-I256 PolarHBondContact O-N 2.87Å; V254-S257 PolarHBondContact O-N 3.21Å |
| 255 | Q | 33.9 | Very low | 42.6 | Very low | 147 Ų | 147 | 109.1 Ų | 109.1 | 69% | 0.687 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.5 | -21.5 | 175.3 | -105.1 | 178.1 | -30.8 | 0 | 0 | 114.1 | Y251 | Y251-Q255 PolarHBondContact O-N 3.18Å |
| 256 | I | 36 | Very low | 44.7 | Very low | 121 Ų | 121 | 101.1 Ų | 101.1 | 62% | 0.621 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -15.1 | 179.9 | -64.7 | 168.5 | 0 | 0 | 0 | 111.5 | L252 F253 V254 | L252-I256 VanDerWaalsContact O-CD1 3.25Å; L252-I256 WeakPolarHBondContact O-CD1 3.22Å; L252-I256 VanDerWaalsContact O-CG1 3.29Å; L252-I256 WeakPolarHBondContact O-CG1 3.43Å; F253-I256 PolarHBondContact O-N 2.88Å; V254-I256 PolarHBondContact O-N 2.87Å |
| 257 | S | 28.2 | Very low | 46.8 | Very low | 56 Ų | 56 | 97.8 Ų | 97.8 | 39% | 0.392 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -117.2 | 79.3 | -171.9 | -49 | 0 | 0 | 0 | 0 | 111.7 | F253 V254 | F253-S257 PolarHBondContact O-OG 3.34Å; V254-S257 PolarHBondContact O-N 3.21Å |
| 258 | S | 39.5 | Very low | 48.6 | Very low | 54 Ų | 54 | 95.9 Ų | 95.9 | 38% | 0.378 | 51% | 0.506 | S | S | . | . | trans | 70.2 | 109.7 | 154 | 95.4 | 0 | 0 | 0 | 0 | 119.9 | A260 E261 | S258-A260 PolarHBondContact O-N 3.45Å; S258-E261 PolarHBondContact O-N 3.23Å; S258-E261 WeakPolarHBondContact OG-CB 3.42Å; S258-E261 WeakPolarHBondContact OG-CG 3.42Å; S258-E261 PolarHBondContact OG-N 3.15Å; S258-E261 PolarHBondContact OG-OE2 2.92Å | ||
| 259 | S | 40.6 | Very low | 50.3 | Low | 52 Ų | 52 | 91 Ų | 91 | 36% | 0.364 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 0.6 | 153 | 64 | 0 | 0 | 0 | 0 | 112.8 | S262 | S259-S262 PolarHBondContact O-OG 3.32Š|
| 260 | A | 37.6 | Very low | 52.5 | Low | 71 Ų | 71 | 81.8 Ų | 81.8 | 59% | 0.587 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -16.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S258 | S258-A260 PolarHBondContact O-N 3.45Š|
| 261 | E | 40.8 | Very low | 54.6 | Low | 153 Ų | 153 | 75.1 Ų | 75.1 | 72% | 0.715 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -85.5 | -9.5 | 173 | -76.2 | 165.1 | 170.6 | 0 | 0 | 113.5 | S258 | S258-E261 PolarHBondContact O-N 3.23Å; S258-E261 WeakPolarHBondContact OG-CB 3.42Å; S258-E261 WeakPolarHBondContact OG-CG 3.42Å; S258-E261 PolarHBondContact OG-N 3.15Å; S258-E261 PolarHBondContact OG-OE2 2.92Å |
| 262 | S | 51.1 | Low | 56.8 | Low | 44 Ų | 44 | 71.9 Ų | 71.9 | 31% | 0.308 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -80.3 | -11.7 | 178.3 | 69.7 | 0 | 0 | 0 | 0 | 114.5 | S259 A264 | S259-S262 PolarHBondContact O-OG 3.32Å; S262-A264 PolarHBondContact O-N 3Å |
| 263 | E | 64.8 | Low | 58.7 | Low | 35 Ų | 35 | 68.3 Ų | 68.3 | 16% | 0.164 | 40% | 0.395 | C | S | . | . | trans | -91.8 | 80.5 | -177.6 | -68.5 | -176.9 | 138.4 | 0 | 0 | 111.1 | C93 V271 K272 H274 W300 | C93-E263 PolarHBondContact SG-OE1 2.75Å; E263-V271 HydrophobicContact CB-CG1 3.93Å; E263-K272 WeakPolarHBondContact CA-O 3.27Å; E263-H274 IonicContact OE1-CE1 2.68Å; E263-H274 IonicContact OE1-CG 3.9Å; E263-H274 IonicContact OE1-ND1 3.69Å; E263-H274 PolarHBondContact OE1-ND1 3.36Å; E263-W300 HydrophobicContact CB-CH2 3.94Å; E263-W300 HydrophobicContact CB-CZ2 3.81Å; E263-W300 HydrophobicContact CG-CZ2 4.28Å; E263-W300 VanDerWaalsContact OE2-CZ2 3.23Å; E263-W300 WeakPolarHBondContact OE2-CZ2 3.35Å | ||
| 264 | A | 71.4 | Confident | 61.2 | Low | 45 Ų | 45 | 61.5 Ų | 61.5 | 37% | 0.372 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -96 | 133.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S262 V271 K272 | S262-A264 PolarHBondContact O-N 3Å; A264-V271 CarbonylContact O-C 3.58Å; A264-V271 WeakPolarHBondContact O-CA 3.4Å; A264-K272 PolarHBondContact O-N 3.41Å |
| 265 | K | 79.3 | Confident | 63.5 | Low | 143 Ų | 143 | 57.8 Ų | 57.8 | 62% | 0.622 | 34% | 0.343 | S | S | * | . | B | Isolated β-bridge | trans | -76.4 | 127.7 | 174 | -73.4 | -178.7 | -177.7 | 177.3 | 0 | 111.6 | L270 V271 | K265-L270 CarbonylContact C-O 3.56Å; K265-L270 VanDerWaalsContact CA-O 3.28Å; K265-L270 WeakPolarHBondContact CA-O 3.35Å; K265-V271 HydrophobicContact CG-CG2 4.25Å |
| 266 | T | 81 | Confident | 66.1 | Low | 33 Ų | 33 | 50.8 Ų | 50.8 | 20% | 0.202 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 165.4 | 173.3 | 73.1 | 0 | 0 | 0 | 0 | 111.6 | T268 G269 L270 K272 | T266-T268 PolarHBondContact O-N 2.66Å; T266-T268 PolarHBondContact OG1-N 3.2Å; T266-T268 PolarHBondContact OG1-OG1 3.39Å; T266-G269 PolarHBondContact O-N 2.94Å; T266-G269 PolarHBondContact OG1-N 2.74Å; T266-L270 HydrophobicContact CG2-CB 4.38Å; T266-L270 PolarHBondContact N-O 3.25Å; T266-L270 PolarHBondContact OG1-N 3.29Å; T266-L270 PolarHBondContact OG1-O 3.49Å; T266-K272 HydrophobicContact CG2-CD 4.31Å; T266-K272 HydrophobicContact CG2-CG 3.77Å |
| 267 | S | 79.1 | Confident | 68.6 | Low | 122 Ų | 122 | 45 Ų | 45 | 85% | 0.853 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -24.4 | 172 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | G269 | S267-G269 VanDerWaalsContact C-N 3.25Å; S267-G269 PolarHBondContact O-N 2.88Å |
| 268 | T | 78.2 | Confident | 71.6 | Confident | 40 Ų | 40 | 42.4 Ų | 42.4 | 25% | 0.245 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -2.1 | 175.3 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | T266 W305 N306 | T266-T268 PolarHBondContact O-N 2.66Å; T266-T268 PolarHBondContact OG1-N 3.2Å; T266-T268 PolarHBondContact OG1-OG1 3.39Å; T268-W305 VanDerWaalsContact CB-CZ3 3.48Å; T268-W305 HydrophobicContact CG2-CH2 4.42Å; T268-W305 HydrophobicContact CG2-CZ3 4Å; T268-N306 PolarHBondContact O-N 2.96Å |
| 269 | G | 78.5 | Confident | 73.6 | Confident | 11 Ų | 11 | 40.7 Ų | 40.7 | 11% | 0.113 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 87.8 | -1.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | T266 S267 V303 | T266-G269 PolarHBondContact O-N 2.94Å; T266-G269 PolarHBondContact OG1-N 2.74Å; S267-G269 VanDerWaalsContact C-N 3.25Å; S267-G269 PolarHBondContact O-N 2.88Å; G269-V303 WeakPolarHBondContact O-CG1 3.43Å |
| 270 | L | 84.6 | Confident | 75.7 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | trans | -77.4 | 167.1 | 174.8 | -56.8 | 176.7 | 0 | 0 | 0 | 110.5 | I230 K265 T266 W305 I341 M343 N351 Y352 | I230-L270 HydrophobicContact CD1-CB 3.68Å; I230-L270 HydrophobicContact CD1-CD1 3.86Å; I230-L270 HydrophobicContact CD1-CG 4.38Å; K265-L270 CarbonylContact C-O 3.56Å; K265-L270 VanDerWaalsContact CA-O 3.28Å; K265-L270 WeakPolarHBondContact CA-O 3.35Å; T266-L270 HydrophobicContact CG2-CB 4.38Å; T266-L270 PolarHBondContact N-O 3.25Å; T266-L270 PolarHBondContact OG1-N 3.29Å; T266-L270 PolarHBondContact OG1-O 3.49Å; L270-W305 HydrophobicContact CD1-CE3 4.02Å; L270-W305 HydrophobicContact CD1-CZ3 3.94Å; L270-W305 HydrophobicContact CD2-CE3 4.06Å; L270-W305 HydrophobicContact CG-CE3 3.96Å; L270-W305 HydrophobicContact CG-CZ3 4.29Å; L270-I341 HydrophobicContact CD2-CD1 3.86Å; L270-M343 HydrophobicContact CD1-CE 4.4Å; L270-M343 HydrophobicContact CD2-CE 4.35Å; L270-N351 HydrophobicContact CD1-CB 3.8Å; L270-Y352 HydrophobicContact CD1-CE2 3.9Å | ||
| 271 | V | 82.2 | Confident | 78 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -116.1 | 125.4 | 179.5 | -168 | 0 | 0 | 0 | 0 | 108.7 | E263 A264 K265 H274 Y276 W300 V303 | E263-V271 HydrophobicContact CB-CG1 3.93Å; A264-V271 CarbonylContact O-C 3.58Å; A264-V271 WeakPolarHBondContact O-CA 3.4Å; K265-V271 HydrophobicContact CG-CG2 4.25Å; V271-H274 HydrophobicContact CB-CB 3.98Å; V271-H274 HydrophobicContact CG1-CB 3.85Å; V271-Y276 VanDerWaalsContact CA-OH 3.3Å; V271-Y276 WeakPolarHBondContact CA-OH 3.31Å; V271-Y276 WeakPolarHBondContact CB-OH 3.29Å; V271-Y276 PolarHBondContact N-OH 3.32Å; V271-Y276 WeakPolarHBondContact O-CE2 3.02Å; V271-Y276 PolarHBondContact O-OH 2.84Å; V271-W300 HydrophobicContact CB-CH2 4.47Å; V271-W300 HydrophobicContact CB-CZ3 4.36Å; V271-W300 HydrophobicContact CG1-CH2 3.55Å; V271-W300 HydrophobicContact CG1-CZ2 4.18Å; V271-W300 HydrophobicContact CG1-CZ3 3.89Å; V271-W300 HydrophobicContact CG2-CE3 3.97Å; V271-W300 HydrophobicContact CG2-CH2 4.1Å; V271-W300 HydrophobicContact CG2-CZ3 3.53Å; V271-V303 HydrophobicContact CG2-CG1 4.13Å; V271-V303 HydrophobicContact CG2-CG2 4.17Å |
| 272 | K | 83.3 | Confident | 80.1 | Confident | 49 Ų | 49 | 31.3 Ų | 31.3 | 21% | 0.213 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -79.1 | 158.4 | 171.5 | -68.9 | -175.3 | 158.8 | -161.5 | 0 | 111.2 | I230 D233 E263 A264 T266 H274 | I230-K272 HydrophobicContact CB-CG 4.49Å; I230-K272 HydrophobicContact CG2-CG 3.85Å; D233-K272 IonicContact OD2-NZ 3.69Å; D233-K272 PolarHBondContact OD2-NZ 3.19Å; E263-K272 WeakPolarHBondContact CA-O 3.27Å; A264-K272 PolarHBondContact O-N 3.41Å; T266-K272 HydrophobicContact CG2-CD 4.31Å; T266-K272 HydrophobicContact CG2-CG 3.77Å; K272-H274 PolarHBondContact O-N 2.79Å |
| 273 | G | 76.1 | Confident | 81.6 | Confident | 30 Ų | 30 | 33 Ų | 33 | 31% | 0.309 | 19% | 0.193 | S | C | . | . | S | Bend | trans | 64.1 | 20.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I230 | I230-G273 PolarHBondContact O-N 3.02Š|
| 274 | H | 81.9 | Confident | 82.3 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 143.5 | -170.6 | -169.9 | 75.4 | 0 | 0 | 0 | 111.7 | Q87 C93 E263 V271 K272 Y276 N298 P299 W300 | Q87-H274 PolarHBondContact OE1-CE1 3.29Å; C93-H274 WeakPolarHBondContact CB-CE1 3.34Å; C93-H274 VanDerWaalsContact CB-ND1 3.29Å; C93-H274 WeakPolarHBondContact CB-ND1 3.25Å; E263-H274 IonicContact OE1-CE1 2.68Å; E263-H274 IonicContact OE1-CG 3.9Å; E263-H274 IonicContact OE1-ND1 3.69Å; E263-H274 PolarHBondContact OE1-ND1 3.36Å; V271-H274 HydrophobicContact CB-CB 3.98Å; V271-H274 HydrophobicContact CG1-CB 3.85Å; K272-H274 PolarHBondContact O-N 2.79Å; H274-Y276 HydrophobicContact CB-CE2 4.16Å; H274-Y276 AromaticContact CD2-CE2 3.77Å; H274-Y276 AromaticContact CD2-CZ 3.79Å; H274-Y276 WeakPolarHBondContact O-CD2 3.44Å; H274-Y276 WeakPolarHBondContact O-CE2 3.44Å; H274-N298 PolarHBondContact NE2-OD1 2.59Å; H274-P299 WeakPolarHBondContact NE2-CD 3.3Å; H274-W300 AromaticContact CE1-CD1 3.49Å; H274-W300 VanDerWaalsContact CE1-CD1 3.49Å; H274-W300 AromaticContact CE1-CE2 3.81Å; H274-W300 AromaticContact CE1-NE1 3.3Å; H274-W300 PolarHBondContact CE1-NE1 2.96Å; H274-W300 VanDerWaalsContact CE1-NE1 3.3Å; H274-W300 AromaticContact ND1-NE1 3.8Å |
| 275 | A | 86.4 | Confident | 82.6 | Confident | 5 Ų | 5 | 32.8 Ų | 32.8 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 140.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W94 A97 T188 P299 | W94-A275 HydrophobicContact CB-CB 4.24Å; A97-A275 HydrophobicContact CB-CB 3.77Å; T188-A275 WeakPolarHBondContact OG1-CB 3.47Å; A275-P299 WeakPolarHBondContact O-CD 3.39Å; A275-P299 VanDerWaalsContact O-CG 3.28Å; A275-P299 WeakPolarHBondContact O-CG 2.95Å |
| 276 | Y | 88.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 151.1 | 177.9 | -63.4 | -103 | 0 | 0 | 0 | 110.6 | G227 C228 V271 H274 I296 R297 N298 I341 Y352 | G227-Y276 CarbonylContact C-O 3.6Å; G227-Y276 WeakPolarHBondContact CA-O 3.49Å; C228-Y276 PolarHBondContact N-O 3.07Å; C228-Y276 PolarHBondContact O-N 3.21Å; V271-Y276 VanDerWaalsContact CA-OH 3.3Å; V271-Y276 WeakPolarHBondContact CA-OH 3.31Å; V271-Y276 WeakPolarHBondContact CB-OH 3.29Å; V271-Y276 PolarHBondContact N-OH 3.32Å; V271-Y276 WeakPolarHBondContact O-CE2 3.02Å; V271-Y276 PolarHBondContact O-OH 2.84Å; H274-Y276 HydrophobicContact CB-CE2 4.16Å; H274-Y276 AromaticContact CD2-CE2 3.77Å; H274-Y276 AromaticContact CD2-CZ 3.79Å; H274-Y276 WeakPolarHBondContact O-CD2 3.44Å; H274-Y276 WeakPolarHBondContact O-CE2 3.44Å; Y276-I296 VanDerWaalsContact CB-CG2 3.49Å; Y276-I296 HydrophobicContact CD1-CG2 3.84Å; Y276-I296 HydrophobicContact CG-CG2 3.96Å; Y276-R297 WeakPolarHBondContact CA-O 3.26Å; Y276-R297 WeakPolarHBondContact CB-O 3.42Å; Y276-N298 HydrophobicContact CD1-CB 3.93Å; Y276-N298 HydrophobicContact CE1-CB 3.71Å; Y276-I341 HydrophobicContact CD1-CD1 4.5Å; Y276-I341 HydrophobicContact CE1-CD1 4.18Å; Y276-Y352 AromaticContact CD2-CE1 3.72Å; Y276-Y352 HydrophobicContact CD2-CE1 3.72Å; Y276-Y352 HydrophobicContact CE2-CE1 4.09Å; Y276-Y352 HydrophobicContact CG-CE1 4.01Å |
| 277 | S | 88.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 132.5 | 174.3 | -46.2 | 0 | 0 | 0 | 0 | 110.6 | A97 A100 S101 I296 R297 | A97-S277 WeakPolarHBondContact CA-OG 3.43Å; A97-S277 PolarHBondContact O-OG 3.28Å; A100-S277 WeakPolarHBondContact CB-OG 3.11Å; S101-S277 WeakPolarHBondContact OG-CB 3.48Å; S277-I296 CarbonylContact O-C 3.56Å; S277-I296 VanDerWaalsContact O-CA 3.31Å; S277-I296 WeakPolarHBondContact O-CA 3.38Å; S277-R297 PolarHBondContact N-O 2.8Å; S277-R297 PolarHBondContact O-N 2.94Å |
| 278 | I | 89.4 | Confident | 81.4 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 120.3 | 169.1 | -60.2 | 171.7 | 0 | 0 | 0 | 108 | M216 M226 C228 L281 I294 F348 V355 | M216-I278 HydrophobicContact CE-CD1 3.53Å; M216-I278 HydrophobicContact CE-CG2 4.45Å; M226-I278 HydrophobicContact CB-CB 3.76Å; M226-I278 HydrophobicContact CB-CD1 4.27Å; M226-I278 HydrophobicContact CB-CG1 4.44Å; M226-I278 HydrophobicContact CB-CG2 4.4Å; M226-I278 PolarHBondContact O-N 3.25Å; C228-I278 HydrophobicContact CB-CD1 3.93Å; C228-I278 HydrophobicContact CB-CG1 4.23Å; I278-L281 HydrophobicContact CG2-CD1 3.9Å; I278-I294 HydrophobicContact CD1-CD1 4.17Å; I278-I294 HydrophobicContact CG1-CD1 4.35Å; I278-I294 HydrophobicContact CG2-CD1 4.01Å; I278-I294 HydrophobicContact CG2-CG1 4.09Å; I278-F348 HydrophobicContact CD1-CZ 4.28Å; I278-V355 HydrophobicContact CD1-CG1 4.12Å |
| 279 | T | 83.6 | Confident | 81.5 | Confident | 17 Ų | 17 | 37 Ų | 37 | 10% | 0.104 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | -4 | -169.5 | 67.8 | 0 | 0 | 0 | 0 | 113.7 | L104 R295 R297 | L104-T279 HydrophobicContact CD1-CG2 3.71Å; T279-R295 PolarHBondContact N-O 2.92Å; T279-R295 PolarHBondContact O-NH2 3.39Å; T279-R295 WeakPolarHBondContact OG1-CG 3.33Å; T279-R295 PolarHBondContact OG1-NE 2.87Å; T279-R295 PolarHBondContact OG1-O 3.49Å; T279-R297 HydrophobicContact CG2-CB 4.06Å |
| 280 | G | 84 | Confident | 81.7 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 8% | 0.082 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.8 | 148.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R295 | G280-R295 PolarHBondContact N-O 3.06Å; G280-R295 PolarHBondContact O-N 3.2Å |
| 281 | L | 86.4 | Confident | 81.7 | Confident | 15 Ų | 15 | 44.9 Ų | 44.9 | 8% | 0.079 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 126.6 | 168.2 | -75.9 | 92.2 | 0 | 0 | 0 | 108.8 | F213 M216 L220 I278 L293 I294 F345 | F213-L281 HydrophobicContact CD2-CD2 3.63Å; F213-L281 HydrophobicContact CE2-CB 4.17Å; F213-L281 HydrophobicContact CE2-CD2 3.7Å; F213-L281 HydrophobicContact CE2-CG 4.35Å; F213-L281 HydrophobicContact CG-CD2 4.3Å; F213-L281 HydrophobicContact CZ-CB 4.34Å; F213-L281 HydrophobicContact CZ-CD2 4.43Å; M216-L281 HydrophobicContact CB-CD1 4.13Å; M216-L281 HydrophobicContact CB-CD2 3.74Å; M216-L281 HydrophobicContact CE-CD1 4.35Å; M216-L281 HydrophobicContact CE-CD2 4.39Å; L220-L281 HydrophobicContact CD1-CB 4.46Å; L220-L281 HydrophobicContact CD1-CD1 3.3Å; L220-L281 HydrophobicContact CD1-CG 4.45Å; L220-L281 HydrophobicContact CG-CD1 4.12Å; I278-L281 HydrophobicContact CG2-CD1 3.9Å; L281-L293 WeakPolarHBondContact CA-O 3.45Å; L281-I294 HydrophobicContact CG-CG1 4.31Å; L281-F345 HydrophobicContact CD2-CE2 4.46Å |
| 282 | E | 83.5 | Confident | 82.1 | Confident | 56 Ų | 56 | 49.1 Ų | 49.1 | 26% | 0.262 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 143.3 | -174.7 | -67.5 | 171.6 | -160.9 | 0 | 0 | 109.6 | V284 L293 R295 I328 | E282-V284 HydrophobicContact CB-CG1 4.47Å; E282-L293 PolarHBondContact N-O 3.37Å; E282-L293 PolarHBondContact O-N 2.85Å; E282-R295 IonicContact OE1-NH1 3.81Å; E282-R295 PolarHBondContact OE1-NH1 2.92Å; E282-I328 WeakPolarHBondContact OE2-CD1 3.22Å |
| 283 | E | 84 | Confident | 82.3 | Confident | 81 Ų | 81 | 47 Ų | 47 | 38% | 0.379 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 121.7 | 169.7 | -174.4 | 177.2 | 114 | 0 | 0 | 107.4 | K290 V291 | E283-K290 HydrophobicContact CG-CB 4.31Å; E283-K290 VanDerWaalsContact OE1-CD 3.23Å; E283-K290 WeakPolarHBondContact OE1-CD 3.45Å; E283-K290 WeakPolarHBondContact OE1-CE 3.4Å; E283-K290 IonicContact OE1-NZ 3.72Å; E283-K290 PolarHBondContact OE1-NZ 3.42Å; E283-V291 WeakPolarHBondContact CA-O 3.39Å |
| 284 | V | 79.7 | Confident | 82.9 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 147.1 | -173.8 | -56.5 | 0 | 0 | 0 | 0 | 110.2 | E282 F286 K290 V291 L293 I328 | E282-V284 HydrophobicContact CB-CG1 4.47Å; V284-F286 PolarHBondContact O-N 2.89Å; V284-K290 WeakPolarHBondContact O-CA 3.42Å; V284-V291 HydrophobicContact CG2-CB 4.05Å; V284-V291 PolarHBondContact N-O 2.95Å; V284-V291 PolarHBondContact O-N 3.29Å; V284-L293 HydrophobicContact CG1-CD1 3.99Å; V284-L293 HydrophobicContact CG2-CD1 3.66Å; V284-L293 HydrophobicContact CG2-CG 4.03Å; V284-I328 HydrophobicContact CB-CD1 4.43Å; V284-I328 HydrophobicContact CG1-CD1 3.29Å |
| 285 | N | 76.2 | Confident | 83.2 | Confident | 62 Ų | 62 | 48 Ų | 48 | 33% | 0.332 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 100.8 | 172.8 | -168.7 | -16.9 | 0 | 0 | 0 | 109.9 | G288 Q289 | N285-G288 VanDerWaalsContact OD1-C 3.25Å; N285-G288 WeakPolarHBondContact OD1-CA 3.37Å; N285-G288 PolarHBondContact OD1-N 2.81Å; N285-Q289 CarbonylContact C-O 3.57Å; N285-Q289 WeakPolarHBondContact CA-O 3.47Å; N285-Q289 PolarHBondContact OD1-N 3.06Å |
| 286 | F | 69.4 | Low | 83.2 | Confident | 42 Ų | 42 | 47.8 Ų | 47.8 | 18% | 0.184 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 119.8 | 177.3 | -174.3 | -107.7 | 0 | 0 | 0 | 109.8 | V284 G288 Q289 V291 W309 L316 | V284-F286 PolarHBondContact O-N 2.89Å; F286-G288 PolarHBondContact O-N 2.68Å; F286-Q289 PolarHBondContact N-O 3.41Å; F286-Q289 PolarHBondContact O-N 3.25Å; F286-V291 HydrophobicContact CB-CG2 3.94Å; F286-W309 HydrophobicContact CB-CH2 4.36Å; F286-W309 HydrophobicContact CB-CZ2 4.4Å; F286-W309 HydrophobicContact CD1-CZ2 4.32Å; F286-W309 AromaticContact CD2-CH2 3.78Å; F286-W309 HydrophobicContact CD2-CH2 3.78Å; F286-W309 HydrophobicContact CD2-CZ2 4.23Å; F286-W309 HydrophobicContact CE2-CH2 4.23Å; F286-W309 HydrophobicContact CG-CH2 4.02Å; F286-W309 HydrophobicContact CG-CZ2 4.06Å; F286-L316 HydrophobicContact CE2-CD2 4.25Å |
| 287 | R | 71.9 | Confident | 82.8 | Confident | 175 Ų | 175 | 48 Ų | 48 | 66% | 0.66 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 35 | -178.9 | -61.2 | -179.1 | 171.3 | -177.4 | -2.6 | 114.4 | Q289 D320 | R287-Q289 VanDerWaalsContact C-N 3.27Å; R287-Q289 PolarHBondContact O-N 2.95Å; R287-D320 IonicContact CZ-OD2 3.75Å; R287-D320 IonicContact NE-OD2 3.96Å; R287-D320 IonicContact NH2-OD2 2.75Å; R287-D320 PolarHBondContact NH2-OD2 3.2Å |
| 288 | G | 73.5 | Confident | 82.3 | Confident | 67 Ų | 67 | 48 Ų | 48 | 69% | 0.691 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82 | 2.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | N285 F286 | N285-G288 VanDerWaalsContact OD1-C 3.25Å; N285-G288 WeakPolarHBondContact OD1-CA 3.37Å; N285-G288 PolarHBondContact OD1-N 2.81Å; F286-G288 PolarHBondContact O-N 2.68Å |
| 289 | Q | 79.3 | Confident | 81.3 | Confident | 143 Ų | 143 | 47.9 Ų | 47.9 | 67% | 0.668 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 140.7 | 175.9 | -64.1 | -174.2 | -9.8 | 0 | 0 | 110.6 | N285 F286 R287 V291 | N285-Q289 CarbonylContact C-O 3.57Å; N285-Q289 WeakPolarHBondContact CA-O 3.47Å; N285-Q289 PolarHBondContact OD1-N 3.06Å; F286-Q289 PolarHBondContact N-O 3.41Å; F286-Q289 PolarHBondContact O-N 3.25Å; R287-Q289 VanDerWaalsContact C-N 3.27Å; R287-Q289 PolarHBondContact O-N 2.95Å; Q289-V291 PolarHBondContact O-N 3.17Å |
| 290 | K | 83.4 | Confident | 80.4 | Confident | 159 Ų | 159 | 50.1 Ų | 50.1 | 69% | 0.691 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 116.6 | 172.4 | -74.8 | 174.9 | 160.3 | -134 | 0 | 109.3 | E283 V284 | E283-K290 HydrophobicContact CG-CB 4.31Å; E283-K290 VanDerWaalsContact OE1-CD 3.23Å; E283-K290 WeakPolarHBondContact OE1-CD 3.45Å; E283-K290 WeakPolarHBondContact OE1-CE 3.4Å; E283-K290 IonicContact OE1-NZ 3.72Å; E283-K290 PolarHBondContact OE1-NZ 3.42Å; V284-K290 WeakPolarHBondContact O-CA 3.42Å |
| 291 | V | 84.8 | Confident | 79.3 | Confident | 18 Ų | 18 | 50.3 Ų | 50.3 | 11% | 0.109 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 132.8 | 178.1 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | E283 V284 F286 Q289 L293 E344 | E283-V291 WeakPolarHBondContact CA-O 3.39Å; V284-V291 HydrophobicContact CG2-CB 4.05Å; V284-V291 PolarHBondContact N-O 2.95Å; V284-V291 PolarHBondContact O-N 3.29Å; F286-V291 HydrophobicContact CB-CG2 3.94Å; Q289-V291 PolarHBondContact O-N 3.17Å; V291-L293 HydrophobicContact CG1-CD2 3.92Å; V291-L293 HydrophobicContact CG1-CG 4.43Å; V291-E344 HydrophobicContact CG1-CG 3.92Å |
| 292 | K | 90.2 | Very high | 77.9 | Confident | 88 Ų | 88 | 57.8 Ų | 57.8 | 38% | 0.383 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 118.5 | 177.4 | -70.1 | 174.5 | -179.5 | 175.9 | 0 | 109.1 | F213 E344 F345 | F213-K292 HydrophobicContact CB-CD 4.27Å; F213-K292 HydrophobicContact CD1-CD 3.82Å; F213-K292 HydrophobicContact CD1-CG 4.18Å; F213-K292 HydrophobicContact CD2-CB 3.91Å; F213-K292 HydrophobicContact CD2-CD 3.96Å; F213-K292 HydrophobicContact CD2-CG 4.16Å; F213-K292 HydrophobicContact CE1-CB 4.47Å; F213-K292 HydrophobicContact CE1-CD 4.1Å; F213-K292 HydrophobicContact CE1-CG 3.93Å; F213-K292 HydrophobicContact CE2-CB 3.56Å; F213-K292 HydrophobicContact CE2-CD 4.25Å; F213-K292 HydrophobicContact CE2-CG 3.93Å; F213-K292 HydrophobicContact CG-CD 3.75Å; F213-K292 HydrophobicContact CG-CG 4.29Å; F213-K292 HydrophobicContact CZ-CB 3.87Å; F213-K292 HydrophobicContact CZ-CD 4.31Å; F213-K292 HydrophobicContact CZ-CG 3.8Å; K292-E344 WeakPolarHBondContact O-CA 3.33Å; K292-F345 HydrophobicContact CB-CB 3.92Å; K292-F345 PolarHBondContact O-N 3.23Å |
| 293 | L | 87.8 | Confident | 76.9 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 145.4 | -179.8 | -61.9 | -178.2 | 0 | 0 | 0 | 110.8 | L281 E282 V284 V291 W309 M343 E344 | L281-L293 WeakPolarHBondContact CA-O 3.45Å; E282-L293 PolarHBondContact N-O 3.37Å; E282-L293 PolarHBondContact O-N 2.85Å; V284-L293 HydrophobicContact CG1-CD1 3.99Å; V284-L293 HydrophobicContact CG2-CD1 3.66Å; V284-L293 HydrophobicContact CG2-CG 4.03Å; V291-L293 HydrophobicContact CG1-CD2 3.92Å; V291-L293 HydrophobicContact CG1-CG 4.43Å; L293-W309 HydrophobicContact CD1-CD2 4.45Å; L293-W309 HydrophobicContact CD1-CE3 4.32Å; L293-W309 HydrophobicContact CD1-CZ3 4.36Å; L293-W309 HydrophobicContact CD2-CD2 4.13Å; L293-W309 HydrophobicContact CD2-CG 4.22Å; L293-W309 HydrophobicContact CD2-CZ2 4.44Å; L293-M343 WeakPolarHBondContact CA-O 3.5Å; L293-E344 HydrophobicContact CD2-CG 4.06Å |
| 294 | I | 89 | Confident | 76.1 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 139.3 | 172.1 | -173.3 | 170.4 | 0 | 0 | 0 | 109.7 | M216 I278 L281 I296 R342 M343 F345 F348 | M216-I294 HydrophobicContact CE-CD1 3.87Å; I278-I294 HydrophobicContact CD1-CD1 4.17Å; I278-I294 HydrophobicContact CG1-CD1 4.35Å; I278-I294 HydrophobicContact CG2-CD1 4.01Å; I278-I294 HydrophobicContact CG2-CG1 4.09Å; L281-I294 HydrophobicContact CG-CG1 4.31Å; I294-I296 HydrophobicContact CD1-CD1 4.45Å; I294-I296 HydrophobicContact CD1-CG1 4.35Å; I294-I296 HydrophobicContact CG1-CG1 4.08Å; I294-I296 HydrophobicContact CG2-CD1 4.32Å; I294-R342 WeakPolarHBondContact O-CA 3.33Å; I294-M343 HydrophobicContact CG2-CG 3.72Å; I294-M343 PolarHBondContact N-O 3.42Å; I294-M343 PolarHBondContact O-N 3.07Å; I294-M343 VanDerWaalsContact O-N 3.13Å; I294-F345 HydrophobicContact CB-CD2 4.46Å; I294-F345 HydrophobicContact CD1-CD2 4.49Å; I294-F348 HydrophobicContact CD1-CD1 4.05Å; I294-F348 HydrophobicContact CD1-CD2 4.02Å; I294-F348 HydrophobicContact CD1-CE1 4.14Å; I294-F348 HydrophobicContact CD1-CE2 4.11Å; I294-F348 HydrophobicContact CD1-CG 3.99Å; I294-F348 HydrophobicContact CD1-CZ 4.17Å; I294-F348 HydrophobicContact CG2-CB 3.72Å; I294-F348 HydrophobicContact CG2-CD2 4.44Å; I294-F348 HydrophobicContact CG2-CG 4.1Å |
| 295 | R | 86.9 | Confident | 75.9 | Confident | 51 Ų | 51 | 54.9 Ų | 54.9 | 19% | 0.192 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.2 | 176.9 | -171.2 | 176.1 | 60.3 | -139.1 | -1.4 | 110 | T279 G280 E282 I341 R342 | T279-R295 PolarHBondContact N-O 2.92Å; T279-R295 PolarHBondContact O-NH2 3.39Å; T279-R295 WeakPolarHBondContact OG1-CG 3.33Å; T279-R295 PolarHBondContact OG1-NE 2.87Å; T279-R295 PolarHBondContact OG1-O 3.49Å; G280-R295 PolarHBondContact N-O 3.06Å; G280-R295 PolarHBondContact O-N 3.2Å; E282-R295 IonicContact OE1-NH1 3.81Å; E282-R295 PolarHBondContact OE1-NH1 2.92Å; R295-I341 CarbonylContact C-O 3.54Å; R295-I341 WeakPolarHBondContact CA-O 3.44Å; R295-R342 HydrophobicContact CB-CG 4.41Å; R295-R342 HydrophobicContact CG-CG 4.15Å |
| 296 | I | 86.4 | Confident | 75.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 145.7 | -174 | -56.1 | 174.5 | 0 | 0 | 0 | 108.4 | Y276 S277 I294 N340 I341 M343 F348 Y352 | Y276-I296 VanDerWaalsContact CB-CG2 3.49Å; Y276-I296 HydrophobicContact CD1-CG2 3.84Å; Y276-I296 HydrophobicContact CG-CG2 3.96Å; S277-I296 CarbonylContact O-C 3.56Å; S277-I296 VanDerWaalsContact O-CA 3.31Å; S277-I296 WeakPolarHBondContact O-CA 3.38Å; I294-I296 HydrophobicContact CD1-CD1 4.45Å; I294-I296 HydrophobicContact CD1-CG1 4.35Å; I294-I296 HydrophobicContact CG1-CG1 4.08Å; I294-I296 HydrophobicContact CG2-CD1 4.32Å; I296-N340 CarbonylContact O-C 3.53Å; I296-I341 HydrophobicContact CB-CB 4.26Å; I296-I341 PolarHBondContact N-O 2.9Å; I296-I341 PolarHBondContact O-N 2.75Å; I296-M343 HydrophobicContact CD1-CE 4.28Å; I296-M343 HydrophobicContact CD1-SD 4.22Å; I296-F348 HydrophobicContact CD1-CD2 3.52Å; I296-F348 HydrophobicContact CD1-CE2 3.9Å; I296-Y352 HydrophobicContact CD1-CD2 4.36Å; I296-Y352 HydrophobicContact CD1-CE1 4.36Å; I296-Y352 HydrophobicContact CD1-CE2 3.67Å |
| 297 | R | 80.2 | Confident | 75.9 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 133.4 | 175.2 | -171.1 | -162.2 | 172.1 | -124.6 | -10 | 110.3 | R82 I85 Y276 S277 T279 P299 S339 | R82-R297 PolarHBondContact O-NH1 3.42Å; R82-R297 PolarHBondContact O-NH2 3.37Å; I85-R297 PolarHBondContact O-NH2 3.14Å; Y276-R297 WeakPolarHBondContact CA-O 3.26Å; Y276-R297 WeakPolarHBondContact CB-O 3.42Å; S277-R297 PolarHBondContact N-O 2.8Å; S277-R297 PolarHBondContact O-N 2.94Å; T279-R297 HydrophobicContact CG2-CB 4.06Å; R297-P299 WeakPolarHBondContact O-CD 3.43Å; R297-S339 WeakPolarHBondContact CA-O 3.36Å; R297-S339 PolarHBondContact NE-OG 3.1Å |
| 298 | N | 78.5 | Confident | 75.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -88.2 | 121.7 | 167.7 | -173.8 | -40.3 | 0 | 0 | 0 | 110.9 | H274 Y276 W300 G301 V303 S339 | H274-N298 PolarHBondContact NE2-OD1 2.59Å; Y276-N298 HydrophobicContact CD1-CB 3.93Å; Y276-N298 HydrophobicContact CE1-CB 3.71Å; N298-W300 VanDerWaalsContact C-N 3.3Å; N298-W300 PolarHBondContact O-N 2.65Å; N298-W300 VanDerWaalsContact OD1-CB 3.27Å; N298-W300 WeakPolarHBondContact OD1-CB 3.22Å; N298-W300 PolarHBondContact OD1-N 2.73Å; N298-G301 PolarHBondContact O-N 2.92Å; N298-V303 WeakPolarHBondContact ND2-CB 3.5Å; N298-S339 PolarHBondContact N-O 2.82Å; N298-S339 WeakPolarHBondContact O-CB 3.48Å; N298-S339 PolarHBondContact O-OG 2.74Å | ||
| 299 | P | 68.1 | Low | 75.8 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -29.9 | 173.7 | -28.8 | 34.6 | 0 | 0 | 0 | 117 | I85 L96 A97 H274 A275 R297 G301 | I85-P299 VanDerWaalsContact O-O 3.14Å; L96-P299 HydrophobicContact CB-CB 3.94Å; A97-P299 HydrophobicContact CB-CG 3.8Å; H274-P299 WeakPolarHBondContact NE2-CD 3.3Å; A275-P299 WeakPolarHBondContact O-CD 3.39Å; A275-P299 VanDerWaalsContact O-CG 3.28Å; A275-P299 WeakPolarHBondContact O-CG 2.95Å; R297-P299 WeakPolarHBondContact O-CD 3.43Å; P299-G301 PolarHBondContact O-N 3.03Å; P299-G301 VanDerWaalsContact O-N 3.16Å |
| 300 | W | 65.9 | Low | 75.3 | Confident | 63 Ų | 63 | 47.2 Ų | 47.2 | 24% | 0.239 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -15.5 | 176.6 | -70.9 | -6.1 | 0 | 0 | 0 | 113.9 | E263 V271 H274 N298 Q302 V303 | E263-W300 HydrophobicContact CB-CH2 3.94Å; E263-W300 HydrophobicContact CB-CZ2 3.81Å; E263-W300 HydrophobicContact CG-CZ2 4.28Å; E263-W300 VanDerWaalsContact OE2-CZ2 3.23Å; E263-W300 WeakPolarHBondContact OE2-CZ2 3.35Å; V271-W300 HydrophobicContact CB-CH2 4.47Å; V271-W300 HydrophobicContact CB-CZ3 4.36Å; V271-W300 HydrophobicContact CG1-CH2 3.55Å; V271-W300 HydrophobicContact CG1-CZ2 4.18Å; V271-W300 HydrophobicContact CG1-CZ3 3.89Å; V271-W300 HydrophobicContact CG2-CE3 3.97Å; V271-W300 HydrophobicContact CG2-CH2 4.1Å; V271-W300 HydrophobicContact CG2-CZ3 3.53Å; H274-W300 AromaticContact CE1-CD1 3.49Å; H274-W300 VanDerWaalsContact CE1-CD1 3.49Å; H274-W300 AromaticContact CE1-CE2 3.81Å; H274-W300 AromaticContact CE1-NE1 3.3Å; H274-W300 PolarHBondContact CE1-NE1 2.96Å; H274-W300 VanDerWaalsContact CE1-NE1 3.3Å; H274-W300 AromaticContact ND1-NE1 3.8Å; N298-W300 VanDerWaalsContact C-N 3.3Å; N298-W300 PolarHBondContact O-N 2.65Å; N298-W300 VanDerWaalsContact OD1-CB 3.27Å; N298-W300 WeakPolarHBondContact OD1-CB 3.22Å; N298-W300 PolarHBondContact OD1-N 2.73Å; W300-Q302 PolarHBondContact O-N 3.18Å; W300-V303 HydrophobicContact CE3-CG2 3.59Å; W300-V303 HydrophobicContact CZ3-CG2 4.17Å |
| 301 | G | 59.5 | Low | 74.2 | Confident | 12 Ų | 12 | 43.2 Ų | 43.2 | 12% | 0.124 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 73.2 | -10.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | N298 P299 | N298-G301 PolarHBondContact O-N 2.92Å; P299-G301 PolarHBondContact O-N 3.03Å; P299-G301 VanDerWaalsContact O-N 3.16Å |
| 302 | Q | 58 | Low | 72.8 | Confident | 173 Ų | 173 | 48.6 Ų | 48.6 | 81% | 0.808 | 23% | 0.225 | S | C | * | . | trans | -133.7 | 33.4 | -165.2 | -60.1 | -172.1 | 8.7 | 0 | 0 | 115.7 | W300 | W300-Q302 PolarHBondContact O-N 3.18Š| ||
| 303 | V | 62.3 | Low | 71.1 | Confident | 8 Ų | 8 | 47.3 Ų | 47.3 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | trans | -134 | 136 | 178.3 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | G269 V271 N298 W300 | G269-V303 WeakPolarHBondContact O-CG1 3.43Å; V271-V303 HydrophobicContact CG2-CG1 4.13Å; V271-V303 HydrophobicContact CG2-CG2 4.17Å; N298-V303 WeakPolarHBondContact ND2-CB 3.5Å; W300-V303 HydrophobicContact CE3-CG2 3.59Å; W300-V303 HydrophobicContact CZ3-CG2 4.17Å | ||
| 304 | E | 66.3 | Low | 69.2 | Low | 66 Ų | 66 | 56.3 Ų | 56.3 | 31% | 0.308 | 26% | 0.261 | S | S | . | . | trans | -127.1 | 135.6 | -174.7 | -69.5 | 174.9 | -172.1 | 0 | 0 | 110.9 | K312 | E304-K312 WeakPolarHBondContact OE2-CD 3.43Å; E304-K312 WeakPolarHBondContact OE2-CE 3.39Å; E304-K312 IonicContact OE2-NZ 3.23Å; E304-K312 PolarHBondContact OE2-NZ 2.85Å | ||
| 305 | W | 75.8 | Confident | 67.1 | Low | 14 Ų | 14 | 62.3 Ų | 62.3 | 5% | 0.053 | 29% | 0.293 | C | S | . | . | trans | -63.7 | 135.9 | 170 | 165.9 | -117.3 | 0 | 0 | 0 | 110.4 | T268 L270 G307 R308 S310 I341 M343 D347 | T268-W305 VanDerWaalsContact CB-CZ3 3.48Å; T268-W305 HydrophobicContact CG2-CH2 4.42Å; T268-W305 HydrophobicContact CG2-CZ3 4Å; L270-W305 HydrophobicContact CD1-CE3 4.02Å; L270-W305 HydrophobicContact CD1-CZ3 3.94Å; L270-W305 HydrophobicContact CD2-CE3 4.06Å; L270-W305 HydrophobicContact CG-CE3 3.96Å; L270-W305 HydrophobicContact CG-CZ3 4.29Å; W305-G307 VanDerWaalsContact NE1-C 3.26Å; W305-G307 VanDerWaalsContact NE1-CA 3.35Å; W305-R308 PolarHBondContact NE1-O 2.6Å; W305-S310 WeakPolarHBondContact O-CB 2.65Å; W305-I341 HydrophobicContact CB-CB 4.37Å; W305-I341 HydrophobicContact CB-CG1 4.17Å; W305-I341 HydrophobicContact CB-CG2 3.49Å; W305-I341 VanDerWaalsContact CB-CG2 3.49Å; W305-I341 HydrophobicContact CG-CG2 4.01Å; W305-M343 HydrophobicContact CD2-CE 3.92Å; W305-M343 HydrophobicContact CE3-CE 3.99Å; W305-M343 HydrophobicContact CG-CE 4.25Å; W305-M343 HydrophobicContact CZ3-CE 4.38Å; W305-D347 HydrophobicContact CZ2-CB 4.31Å | ||
| 306 | N | 74.3 | Confident | 65.6 | Low | 87 Ų | 87 | 61.6 Ų | 61.6 | 47% | 0.465 | 29% | 0.293 | S | S | . | . | trans | -100.5 | 0.9 | -178.4 | -65.6 | -33.3 | 0 | 0 | 0 | 114 | T268 | T268-N306 PolarHBondContact O-N 2.96Š| ||
| 307 | G | 72.5 | Confident | 63.9 | Low | 21 Ų | 21 | 67.3 Ų | 67.3 | 22% | 0.216 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -89.9 | -167.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | W305 S310 I313 | W305-G307 VanDerWaalsContact NE1-C 3.26Å; W305-G307 VanDerWaalsContact NE1-CA 3.35Å; G307-S310 WeakPolarHBondContact O-CB 3.2Å; G307-S310 PolarHBondContact O-N 3.47Å; G307-S310 PolarHBondContact O-OG 3.31Å; G307-I313 WeakPolarHBondContact O-CD1 3.43Å |
| 308 | R | 70.9 | Confident | 62.2 | Low | 174 Ų | 174 | 74.1 Ų | 74.1 | 66% | 0.657 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 145.6 | 178.3 | -75.3 | -175.2 | 171.2 | -178.6 | 0.1 | 111.1 | W305 S310 | W305-R308 PolarHBondContact NE1-O 2.6Å; R308-S310 PolarHBondContact O-N 2.7Å |
| 309 | W | 71.4 | Confident | 60.8 | Low | 34 Ų | 34 | 84.1 Ų | 84.1 | 13% | 0.129 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 14 | -176.2 | -52.4 | 93.7 | 0 | 0 | 0 | 115.7 | F286 L293 R342 E344 | F286-W309 HydrophobicContact CB-CH2 4.36Å; F286-W309 HydrophobicContact CB-CZ2 4.4Å; F286-W309 HydrophobicContact CD1-CZ2 4.32Å; F286-W309 AromaticContact CD2-CH2 3.78Å; F286-W309 HydrophobicContact CD2-CH2 3.78Å; F286-W309 HydrophobicContact CD2-CZ2 4.23Å; F286-W309 HydrophobicContact CE2-CH2 4.23Å; F286-W309 HydrophobicContact CG-CH2 4.02Å; F286-W309 HydrophobicContact CG-CZ2 4.06Å; L293-W309 HydrophobicContact CD1-CD2 4.45Å; L293-W309 HydrophobicContact CD1-CE3 4.32Å; L293-W309 HydrophobicContact CD1-CZ3 4.36Å; L293-W309 HydrophobicContact CD2-CD2 4.13Å; L293-W309 HydrophobicContact CD2-CG 4.22Å; L293-W309 HydrophobicContact CD2-CZ2 4.44Å; W309-R342 HydrophobicContact CB-CB 4.4Å; W309-E344 PolarHBondContact NE1-OE1 3.23Å |
| 310 | S | 68.8 | Low | 60 | Low | 12 Ų | 12 | 87.2 Ų | 87.2 | 8% | 0.084 | 40% | 0.402 | C | S | . | . | trans | -77 | 156 | 170.5 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | W305 G307 R308 K312 I313 | W305-S310 WeakPolarHBondContact O-CB 2.65Å; G307-S310 WeakPolarHBondContact O-CB 3.2Å; G307-S310 PolarHBondContact O-N 3.47Å; G307-S310 PolarHBondContact O-OG 3.31Å; R308-S310 PolarHBondContact O-N 2.7Å; S310-K312 PolarHBondContact O-N 3.11Å; S310-I313 PolarHBondContact O-N 3.33Å; S310-I313 WeakPolarHBondContact OG-CD1 3.31Å; S310-I313 WeakPolarHBondContact OG-CG1 3.48Å | ||
| 311 | D | 60.1 | Low | 59.3 | Low | 76 Ų | 76 | 85 Ų | 85 | 41% | 0.406 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -16.9 | 179.2 | -63.4 | -25.3 | 0 | 0 | 0 | 113.3 | ||
| 312 | K | 55.3 | Low | 59 | Low | 130 Ų | 130 | 92 Ų | 92 | 57% | 0.565 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -10.9 | -176.4 | -75.4 | 174.9 | 169.3 | 137.2 | 0 | 114.8 | E304 S310 K314 | E304-K312 WeakPolarHBondContact OE2-CD 3.43Å; E304-K312 WeakPolarHBondContact OE2-CE 3.39Å; E304-K312 IonicContact OE2-NZ 3.23Å; E304-K312 PolarHBondContact OE2-NZ 2.85Å; S310-K312 PolarHBondContact O-N 3.11Å; K312-K314 PolarHBondContact O-N 2.65Å |
| 313 | I | 54.8 | Low | 58.7 | Low | 61 Ų | 61 | 92.6 Ų | 92.6 | 31% | 0.313 | 42% | 0.424 | S | S | . | . | trans | -78.7 | 117.8 | -178.8 | -74.8 | 172.9 | 0 | 0 | 0 | 110.8 | G307 S310 D315 | G307-I313 WeakPolarHBondContact O-CD1 3.43Å; S310-I313 PolarHBondContact O-N 3.33Å; S310-I313 WeakPolarHBondContact OG-CD1 3.31Å; S310-I313 WeakPolarHBondContact OG-CG1 3.48Å; I313-D315 VanDerWaalsContact C-N 3.33Å; I313-D315 HydrophobicContact CG2-CB 3.97Å | ||
| 314 | K | 48.2 | Very low | 58.2 | Low | 196 Ų | 196 | 98.8 Ų | 98.8 | 85% | 0.852 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -7.2 | 176.5 | -68.2 | -179.2 | 178.6 | 177.7 | 0 | 114.3 | K312 | K312-K314 PolarHBondContact O-N 2.65Š|
| 315 | D | 45.5 | Very low | 57.3 | Low | 126 Ų | 126 | 95.9 Ų | 95.9 | 67% | 0.674 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 1.5 | -169.1 | -66.2 | -21.1 | 0 | 0 | 0 | 114.8 | I313 H317 | I313-D315 VanDerWaalsContact C-N 3.33Å; I313-D315 HydrophobicContact CG2-CB 3.97Å; D315-H317 VanDerWaalsContact C-N 3.3Å; D315-H317 PolarHBondContact O-N 3.3Å |
| 316 | L | 53.8 | Low | 56.2 | Low | 36 Ų | 36 | 97.2 Ų | 97.2 | 19% | 0.188 | 45% | 0.447 | C | S | . | . | trans | -76.6 | 85.2 | 165.9 | -89.8 | 141.9 | 0 | 0 | 0 | 108.4 | F286 Y318 I321 Y329 | F286-L316 HydrophobicContact CE2-CD2 4.25Å; L316-Y318 PolarHBondContact O-N 3.3Å; L316-I321 HydrophobicContact CB-CD1 4.4Å; L316-I321 HydrophobicContact CD2-CD1 3.89Å; L316-I321 HydrophobicContact CD2-CG1 4.15Å; L316-Y329 HydrophobicContact CB-CE2 4.13Å | ||
| 317 | H | 51.1 | Low | 55.3 | Low | 120 Ų | 120 | 100.2 Ų | 100.2 | 56% | 0.556 | 45% | 0.453 | S | S | * | . | trans | -61.6 | 131.7 | 175 | -72.5 | -63.9 | 0 | 0 | 0 | 110.3 | D315 Y319 D320 | D315-H317 VanDerWaalsContact C-N 3.3Å; D315-H317 PolarHBondContact O-N 3.3Å; H317-Y319 PolarHBondContact O-N 3.48Å; H317-D320 WeakPolarHBondContact O-CB 3.47Å; H317-D320 PolarHBondContact O-N 2.91Å | ||
| 318 | Y | 45.4 | Very low | 54.4 | Low | 148 Ų | 148 | 99.7 Ų | 99.7 | 58% | 0.58 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -48 | -28.3 | 179.2 | -179.9 | -97.1 | 0 | 0 | 0 | 114.2 | L316 M326 | L316-Y318 PolarHBondContact O-N 3.3Å; Y318-M326 HydrophobicContact CD2-CE 4.07Å; Y318-M326 HydrophobicContact CE2-CE 3.46Å; Y318-M326 VanDerWaalsContact CE2-CE 3.46Å; Y318-M326 HydrophobicContact CE2-SD 4.27Å |
| 319 | Y | 49.5 | Very low | 53.6 | Low | 210 Ų | 210 | 95 Ų | 95 | 82% | 0.824 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -82.6 | -12 | -179.2 | -62.9 | -77.6 | 0 | 0 | 0 | 114.9 | H317 | H317-Y319 PolarHBondContact O-N 3.48Š|
| 320 | D | 49.7 | Very low | 52.6 | Low | 64 Ų | 64 | 96.4 Ų | 96.4 | 34% | 0.342 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -90.2 | -5.8 | -178.9 | -77.3 | -9.8 | 0 | 0 | 0 | 113.4 | R287 H317 | R287-D320 IonicContact CZ-OD2 3.75Å; R287-D320 IonicContact NE-OD2 3.96Å; R287-D320 IonicContact NH2-OD2 2.75Å; R287-D320 PolarHBondContact NH2-OD2 3.2Å; H317-D320 WeakPolarHBondContact O-CB 3.47Å; H317-D320 PolarHBondContact O-N 2.91Å |
| 321 | I | 52.4 | Low | 51.7 | Low | 16 Ų | 16 | 98.2 Ų | 98.2 | 8% | 0.082 | 44% | 0.444 | C | S | . | . | trans | -107.9 | 105.2 | -171.7 | -59.5 | -179.8 | 0 | 0 | 0 | 107.9 | L316 C325 M326 Y329 | L316-I321 HydrophobicContact CB-CD1 4.4Å; L316-I321 HydrophobicContact CD2-CD1 3.89Å; L316-I321 HydrophobicContact CD2-CG1 4.15Å; I321-C325 HydrophobicContact CB-CB 4.35Å; I321-C325 HydrophobicContact CG2-CB 3.36Å; I321-C325 WeakPolarHBondContact CG2-O 3.5Å; I321-M326 HydrophobicContact CG2-CB 4.26Å; I321-M326 VanDerWaalsContact CG2-N 3.32Å; I321-Y329 HydrophobicContact CD1-CD1 4.46Å; I321-Y329 HydrophobicContact CD1-CD2 3.56Å; I321-Y329 HydrophobicContact CD1-CE2 4.12Å; I321-Y329 HydrophobicContact CD1-CG 3.75Å | ||
| 322 | K | 53.1 | Low | 51.1 | Low | 159 Ų | 159 | 96.1 Ų | 96.1 | 69% | 0.691 | 44% | 0.435 | S | S | * | . | trans | -62.6 | 160.8 | 168.2 | -80.4 | -171 | 174 | -175.3 | 0 | 110.3 | E324 C325 M326 | K322-E324 PolarHBondContact O-N 3.29Å; K322-C325 PolarHBondContact O-N 3.44Å; K322-M326 PolarHBondContact O-N 3.21Å | ||
| 323 | E | 51.5 | Low | 50.5 | Low | 187 Ų | 187 | 93.8 Ų | 93.8 | 87% | 0.874 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -44.4 | -36 | 179.2 | -78.9 | -178.9 | 149.7 | 0 | 0 | 113.9 | C325 M326 | E323-C325 PolarHBondContact O-N 2.94Å; E323-M326 WeakPolarHBondContact O-CB 3.23Å; E323-M326 PolarHBondContact O-N 3.12Å |
| 324 | E | 51 | Low | 49.8 | Very low | 137 Ų | 137 | 98.1 Ų | 98.1 | 64% | 0.64 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63.5 | -34.9 | 177.1 | -67.9 | 177.5 | 168.6 | 0 | 0 | 114.2 | K322 | K322-E324 PolarHBondContact O-N 3.29Å |
| 325 | C | 48.8 | Very low | 49.6 | Very low | 6 Ų | 6 | 95.1 Ų | 95.1 | 4% | 0.041 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -89.2 | -11.8 | 177.1 | -66.4 | 0 | 0 | 0 | 0 | 112.5 | I321 K322 E323 I328 Y329 | I321-C325 HydrophobicContact CB-CB 4.35Å; I321-C325 HydrophobicContact CG2-CB 3.36Å; I321-C325 WeakPolarHBondContact CG2-O 3.5Å; K322-C325 PolarHBondContact O-N 3.44Å; E323-C325 PolarHBondContact O-N 2.94Å; C325-I328 PolarHBondContact O-N 2.75Å; C325-Y329 WeakPolarHBondContact O-CB 3.37Å; C325-Y329 PolarHBondContact O-N 2.6Å |
| 326 | M | 52.3 | Low | 49.5 | Very low | 41 Ų | 41 | 98.1 Ų | 98.1 | 20% | 0.202 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -68.8 | -37.9 | -178.8 | -173.5 | 67.1 | 86.6 | 0 | 0 | 111.4 | Y318 I321 K322 E323 I328 Y329 I330 | Y318-M326 HydrophobicContact CD2-CE 4.07Å; Y318-M326 HydrophobicContact CE2-CE 3.46Å; Y318-M326 VanDerWaalsContact CE2-CE 3.46Å; Y318-M326 HydrophobicContact CE2-SD 4.27Å; I321-M326 HydrophobicContact CG2-CB 4.26Å; I321-M326 VanDerWaalsContact CG2-N 3.32Å; K322-M326 PolarHBondContact O-N 3.21Å; E323-M326 WeakPolarHBondContact O-CB 3.23Å; E323-M326 PolarHBondContact O-N 3.12Å; M326-I328 VanDerWaalsContact C-N 3.32Å; M326-I328 PolarHBondContact O-N 3.41Å; M326-Y329 PolarHBondContact O-N 3.48Å; M326-I330 HydrophobicContact CG-CD1 3.7Å; M326-I330 HydrophobicContact CG-CG1 4.24Å; M326-I330 WeakPolarHBondContact O-CB 3.5Å; M326-I330 WeakPolarHBondContact O-CG1 3.42Å; M326-I330 PolarHBondContact O-N 3.09Å; M326-I330 HydrophobicContact SD-CD1 4.24Å; M326-I330 HydrophobicContact SD-CG1 4.32Å |
| 327 | Y | 54.3 | Low | 49.2 | Very low | 150 Ų | 150 | 99.6 Ų | 99.6 | 59% | 0.588 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60 | -42.8 | 174.2 | 176.9 | -103.5 | 0 | 0 | 0 | 112.1 | I330 Q331 | Y327-I330 PolarHBondContact O-N 2.93Å; Y327-Q331 HydrophobicContact CE1-CG 4.35Å; Y327-Q331 HydrophobicContact CE2-CG 4.48Å; Y327-Q331 VanDerWaalsContact CZ-NE2 3.28Å; Y327-Q331 WeakPolarHBondContact O-CG 3.47Å; Y327-Q331 PolarHBondContact O-N 3.28Å; Y327-Q331 PolarHBondContact OH-NE2 2.91Å |
| 328 | I | 54.6 | Low | 49.2 | Very low | 11 Ų | 11 | 100.4 Ų | 100.4 | 6% | 0.056 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -67.1 | -45.1 | 179.6 | -61.7 | 174 | 0 | 0 | 0 | 110 | E282 V284 C325 M326 Q331 C332 | E282-I328 WeakPolarHBondContact OE2-CD1 3.22Å; V284-I328 HydrophobicContact CB-CD1 4.43Å; V284-I328 HydrophobicContact CG1-CD1 3.29Å; C325-I328 PolarHBondContact O-N 2.75Å; M326-I328 VanDerWaalsContact C-N 3.32Å; M326-I328 PolarHBondContact O-N 3.41Å; I328-Q331 PolarHBondContact O-N 3.29Å; I328-C332 PolarHBondContact O-N 3.15Å; I328-C332 PolarHBondContact O-SG 3.08Å |
| 329 | Y | 53.3 | Low | 49.6 | Very low | 74 Ų | 74 | 93.6 Ų | 93.6 | 29% | 0.29 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 176.3 | -176.5 | -95.2 | 0 | 0 | 0 | 113.1 | L316 I321 C325 M326 C332 T333 | L316-Y329 HydrophobicContact CB-CE2 4.13Å; I321-Y329 HydrophobicContact CD1-CD1 4.46Å; I321-Y329 HydrophobicContact CD1-CD2 3.56Å; I321-Y329 HydrophobicContact CD1-CE2 4.12Å; I321-Y329 HydrophobicContact CD1-CG 3.75Å; C325-Y329 WeakPolarHBondContact O-CB 3.37Å; C325-Y329 PolarHBondContact O-N 2.6Å; M326-Y329 PolarHBondContact O-N 3.48Å; Y329-C332 WeakPolarHBondContact O-CB 3.4Å; Y329-C332 PolarHBondContact O-N 3.46Å; Y329-C332 VanDerWaalsContact O-N 3.16Å; Y329-T333 HydrophobicContact CD1-CG2 4.37Å; Y329-T333 HydrophobicContact CE1-CG2 3.97Å; Y329-T333 HydrophobicContact CE2-CG2 4.27Å; Y329-T333 WeakPolarHBondContact O-CG2 3.42Å; Y329-T333 PolarHBondContact O-N 2.93Å; Y329-T333 PolarHBondContact O-OG1 3.13Å |
| 330 | I | 52 | Low | 50.4 | Low | 64 Ų | 64 | 84.2 Ų | 84.2 | 33% | 0.328 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 175.2 | -72 | 170.8 | 0 | 0 | 0 | 110.7 | M326 Y327 C332 T333 Q334 | M326-I330 HydrophobicContact CG-CD1 3.7Å; M326-I330 HydrophobicContact CG-CG1 4.24Å; M326-I330 WeakPolarHBondContact O-CB 3.5Å; M326-I330 WeakPolarHBondContact O-CG1 3.42Å; M326-I330 PolarHBondContact O-N 3.09Å; M326-I330 HydrophobicContact SD-CD1 4.24Å; M326-I330 HydrophobicContact SD-CG1 4.32Å; Y327-I330 PolarHBondContact O-N 2.93Å; I330-C332 VanDerWaalsContact C-N 3.32Å; I330-C332 PolarHBondContact O-N 3.24Å; I330-T333 PolarHBondContact O-N 3.45Å; I330-Q334 HydrophobicContact CG2-CB 4.23Å; I330-Q334 HydrophobicContact CG2-CG 3.97Å; I330-Q334 WeakPolarHBondContact O-CB 3.37Å; I330-Q334 PolarHBondContact O-N 3.04Å |
| 331 | Q | 49.6 | Very low | 51.4 | Low | 51 Ų | 51 | 81.4 Ų | 81.4 | 24% | 0.238 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64 | -34 | 172.4 | -78 | -161.9 | -16.2 | 0 | 0 | 113.1 | Y327 I328 | Y327-Q331 HydrophobicContact CE1-CG 4.35Å; Y327-Q331 HydrophobicContact CE2-CG 4.48Å; Y327-Q331 VanDerWaalsContact CZ-NE2 3.28Å; Y327-Q331 WeakPolarHBondContact O-CG 3.47Å; Y327-Q331 PolarHBondContact O-N 3.28Å; Y327-Q331 PolarHBondContact OH-NE2 2.91Å; I328-Q331 PolarHBondContact O-N 3.29Å |
| 332 | C | 46.7 | Very low | 52.7 | Low | 32 Ų | 32 | 81.3 Ų | 81.3 | 22% | 0.216 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.9 | -33.1 | 172.8 | -58.8 | 0 | 0 | 0 | 0 | 112.6 | I328 Y329 I330 R342 | I328-C332 PolarHBondContact O-N 3.15Å; I328-C332 PolarHBondContact O-SG 3.08Å; Y329-C332 WeakPolarHBondContact O-CB 3.4Å; Y329-C332 PolarHBondContact O-N 3.46Å; Y329-C332 VanDerWaalsContact O-N 3.16Å; I330-C332 VanDerWaalsContact C-N 3.32Å; I330-C332 PolarHBondContact O-N 3.24Å; C332-R342 PolarHBondContact SG-NH1 2.74Å |
| 333 | T | 42.6 | Very low | 54.3 | Low | 80 Ų | 80 | 73.7 Ų | 73.7 | 49% | 0.491 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -106.3 | -28.3 | -166 | 51.7 | 0 | 0 | 0 | 0 | 115.3 | Y329 I330 | Y329-T333 HydrophobicContact CD1-CG2 4.37Å; Y329-T333 HydrophobicContact CE1-CG2 3.97Å; Y329-T333 HydrophobicContact CE2-CG2 4.27Å; Y329-T333 WeakPolarHBondContact O-CG2 3.42Å; Y329-T333 PolarHBondContact O-N 2.93Å; Y329-T333 PolarHBondContact O-OG1 3.13Å; I330-T333 PolarHBondContact O-N 3.45Å |
| 334 | Q | 40.3 | Very low | 56.1 | Low | 153 Ų | 153 | 67.1 Ų | 67.1 | 72% | 0.715 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -97.4 | -22.1 | -172.5 | -73.9 | -161.4 | -3.1 | 0 | 0 | 115.6 | I330 | I330-Q334 HydrophobicContact CG2-CB 4.23Å; I330-Q334 HydrophobicContact CG2-CG 3.97Å; I330-Q334 WeakPolarHBondContact O-CB 3.37Å; I330-Q334 PolarHBondContact O-N 3.04Å |
| 335 | K | 43.5 | Very low | 58 | Low | 133 Ų | 133 | 61 Ų | 61 | 58% | 0.578 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -105.4 | 120.1 | 170.9 | -63.4 | -173.3 | 175.8 | -178.3 | 0 | 106.8 | Q337 | K335-Q337 HydrophobicContact CB-CB 4.1Å; K335-Q337 HydrophobicContact CB-CG 3.7Å; K335-Q337 HydrophobicContact CD-CG 4.47Å; K335-Q337 PolarHBondContact O-N 3.2Å |
| 336 | K | 43 | Very low | 60 | Low | 189 Ų | 189 | 65.7 Ų | 65.7 | 82% | 0.822 | 30% | 0.303 | S | S | * | . | trans | -62.7 | 67.2 | 164.5 | -74.6 | -179.7 | 175 | 177.7 | 0 | 109 | F338 | K336-F338 VanDerWaalsContact C-N 3.27Å; K336-F338 HydrophobicContact CB-CE2 4.02Å; K336-F338 HydrophobicContact CB-CZ 4.27Å; K336-F338 VanDerWaalsContact O-CD2 3.23Å; K336-F338 WeakPolarHBondContact O-CD2 3.33Å; K336-F338 PolarHBondContact O-N 3.26Å | ||
| 337 | Q | 49.1 | Very low | 61.8 | Low | 67 Ų | 67 | 65.7 Ų | 65.7 | 31% | 0.313 | 30% | 0.304 | S | S | . | . | trans | -95.4 | 67.3 | -171.9 | -105.6 | -167.6 | 32 | 0 | 0 | 106.9 | K335 S339 N340 | K335-Q337 HydrophobicContact CB-CB 4.1Å; K335-Q337 HydrophobicContact CB-CG 3.7Å; K335-Q337 HydrophobicContact CD-CG 4.47Å; K335-Q337 PolarHBondContact O-N 3.2Å; Q337-S339 PolarHBondContact O-N 3.49Å; Q337-N340 PolarHBondContact OE1-ND2 3.39Å | ||
| 338 | F | 49.5 | Very low | 63.5 | Low | 136 Ų | 136 | 58.5 Ų | 58.5 | 60% | 0.596 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -39.1 | 134 | 178.2 | -59.3 | -81.8 | 0 | 0 | 0 | 110.6 | R82 K336 | R82-F338 PolarHBondContact NH1-O 3Å; R82-F338 VanDerWaalsContact NH1-O 3.12Å; K336-F338 VanDerWaalsContact C-N 3.27Å; K336-F338 HydrophobicContact CB-CE2 4.02Å; K336-F338 HydrophobicContact CB-CZ 4.27Å; K336-F338 VanDerWaalsContact O-CD2 3.23Å; K336-F338 WeakPolarHBondContact O-CD2 3.33Å; K336-F338 PolarHBondContact O-N 3.26Å |
| 339 | S | 55.3 | Low | 65.3 | Low | 5 Ų | 5 | 60 Ų | 60 | 4% | 0.035 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 5 | 173 | 75.9 | 0 | 0 | 0 | 0 | 121.7 | R297 N298 Q337 I341 | R297-S339 WeakPolarHBondContact CA-O 3.36Å; R297-S339 PolarHBondContact NE-OG 3.1Å; N298-S339 PolarHBondContact N-O 2.82Å; N298-S339 WeakPolarHBondContact O-CB 3.48Å; N298-S339 PolarHBondContact O-OG 2.74Å; Q337-S339 PolarHBondContact O-N 3.49Å; S339-I341 PolarHBondContact O-N 3.48Å |
| 340 | N | 64.9 | Low | 67 | Low | 14 Ų | 14 | 65.7 Ų | 65.7 | 8% | 0.075 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 105.9 | 175.3 | -87.9 | -3.2 | 0 | 0 | 0 | 111.9 | R82 I296 Q337 | R82-N340 VanDerWaalsContact CZ-ND2 3.27Å; R82-N340 PolarHBondContact NH1-OD1 2.85Å; R82-N340 VanDerWaalsContact NH2-CG 3.3Å; R82-N340 PolarHBondContact NH2-ND2 2.97Å; I296-N340 CarbonylContact O-C 3.53Å; Q337-N340 PolarHBondContact OE1-ND2 3.39Å |
| 341 | I | 72.3 | Confident | 68.8 | Low | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 124.8 | 174.5 | -62.8 | 165.3 | 0 | 0 | 0 | 109.1 | L270 Y276 R295 I296 W305 S339 M343 | L270-I341 HydrophobicContact CD2-CD1 3.86Å; Y276-I341 HydrophobicContact CD1-CD1 4.5Å; Y276-I341 HydrophobicContact CE1-CD1 4.18Å; R295-I341 CarbonylContact C-O 3.54Å; R295-I341 WeakPolarHBondContact CA-O 3.44Å; I296-I341 HydrophobicContact CB-CB 4.26Å; I296-I341 PolarHBondContact N-O 2.9Å; I296-I341 PolarHBondContact O-N 2.75Å; W305-I341 HydrophobicContact CB-CB 4.37Å; W305-I341 HydrophobicContact CB-CG1 4.17Å; W305-I341 HydrophobicContact CB-CG2 3.49Å; W305-I341 VanDerWaalsContact CB-CG2 3.49Å; W305-I341 HydrophobicContact CG-CG2 4.01Å; S339-I341 PolarHBondContact O-N 3.48Å; I341-M343 HydrophobicContact CG2-CE 3.4Å; I341-M343 VanDerWaalsContact CG2-CE 3.4Å |
| 342 | R | 79.1 | Confident | 70.8 | Confident | 14 Ų | 14 | 62.1 Ų | 62.1 | 5% | 0.053 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 134.4 | 166.3 | -69.9 | -177.2 | 177.5 | 100.8 | -8.8 | 109.2 | I294 R295 W309 C332 | I294-R342 WeakPolarHBondContact O-CA 3.33Å; R295-R342 HydrophobicContact CB-CG 4.41Å; R295-R342 HydrophobicContact CG-CG 4.15Å; W309-R342 HydrophobicContact CB-CB 4.4Å; C332-R342 PolarHBondContact SG-NH1 2.74Å |
| 343 | M | 86.4 | Confident | 72.9 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 164.2 | 175.8 | 63.8 | 178.9 | 68.2 | 0 | 0 | 111.6 | L270 L293 I294 I296 W305 I341 D347 F348 Y352 | L270-M343 HydrophobicContact CD1-CE 4.4Å; L270-M343 HydrophobicContact CD2-CE 4.35Å; L293-M343 WeakPolarHBondContact CA-O 3.5Å; I294-M343 HydrophobicContact CG2-CG 3.72Å; I294-M343 PolarHBondContact N-O 3.42Å; I294-M343 PolarHBondContact O-N 3.07Å; I294-M343 VanDerWaalsContact O-N 3.13Å; I296-M343 HydrophobicContact CD1-CE 4.28Å; I296-M343 HydrophobicContact CD1-SD 4.22Å; W305-M343 HydrophobicContact CD2-CE 3.92Å; W305-M343 HydrophobicContact CE3-CE 3.99Å; W305-M343 HydrophobicContact CG-CE 4.25Å; W305-M343 HydrophobicContact CZ3-CE 4.38Å; I341-M343 HydrophobicContact CG2-CE 3.4Å; I341-M343 VanDerWaalsContact CG2-CE 3.4Å; M343-D347 HydrophobicContact CB-CB 4.43Å; M343-D347 HydrophobicContact SD-CB 4.4Å; M343-F348 HydrophobicContact CG-CB 4.31Å; M343-F348 HydrophobicContact SD-CB 3.94Å; M343-Y352 HydrophobicContact CE-CE2 3.82Å; M343-Y352 HydrophobicContact SD-CD2 4.49Å; M343-Y352 HydrophobicContact SD-CE2 3.92Å |
| 344 | E | 89.4 | Confident | 75.2 | Confident | 48 Ų | 48 | 60 Ų | 60 | 22% | 0.224 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 146.8 | 171.3 | -65.1 | -176 | -155 | 0 | 0 | 110.2 | V291 K292 L293 W309 E346 D347 F348 | V291-E344 HydrophobicContact CG1-CG 3.92Å; K292-E344 WeakPolarHBondContact O-CA 3.33Å; L293-E344 HydrophobicContact CD2-CG 4.06Å; W309-E344 PolarHBondContact NE1-OE1 3.23Å; E344-E346 PolarHBondContact O-N 3.04Å; E344-D347 WeakPolarHBondContact O-CB 3.39Å; E344-D347 PolarHBondContact O-N 2.8Å; E344-F348 PolarHBondContact O-N 3.31Å |
| 345 | F | 91 | Very high | 77.7 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 4% | 0.044 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.7 | -29.4 | -176.9 | -170.4 | -107.6 | 0 | 0 | 0 | 113.3 | L212 F213 M216 L281 K292 I294 F348 K349 | L212-F345 HydrophobicContact CB-CZ 4.29Å; L212-F345 HydrophobicContact CD2-CZ 3.94Å; L212-F345 HydrophobicContact CG-CZ 4.01Å; F213-F345 HydrophobicContact CB-CD1 4.05Å; F213-F345 HydrophobicContact CB-CE1 3.76Å; F213-F345 HydrophobicContact CB-CE2 4.38Å; F213-F345 HydrophobicContact CB-CG 4.46Å; F213-F345 HydrophobicContact CB-CZ 3.94Å; F213-F345 HydrophobicContact CD2-CB 4.15Å; F213-F345 HydrophobicContact CD2-CD1 4.14Å; F213-F345 AromaticContact CD2-CD2 3.72Å; F213-F345 HydrophobicContact CD2-CD2 3.72Å; F213-F345 HydrophobicContact CD2-CE1 4.49Å; F213-F345 HydrophobicContact CD2-CE2 4.1Å; F213-F345 AromaticContact CD2-CG 3.73Å; F213-F345 HydrophobicContact CD2-CG 3.73Å; F213-F345 HydrophobicContact CD2-CZ 4.46Å; F213-F345 HydrophobicContact CE2-CD2 4.48Å; M216-F345 HydrophobicContact CE-CE2 4.43Å; M216-F345 HydrophobicContact SD-CE2 3.78Å; M216-F345 HydrophobicContact SD-CZ 4Å; L281-F345 HydrophobicContact CD2-CE2 4.46Å; K292-F345 HydrophobicContact CB-CB 3.92Å; K292-F345 PolarHBondContact O-N 3.23Å; I294-F345 HydrophobicContact CB-CD2 4.46Å; I294-F345 HydrophobicContact CD1-CD2 4.49Å; F345-F348 HydrophobicContact CD2-CD1 4.04Å; F345-F348 AromaticContact CE2-CD1 3.81Å; F345-F348 HydrophobicContact CE2-CD1 3.81Å; F345-F348 HydrophobicContact CE2-CE1 4.21Å; F345-F348 HydrophobicContact CZ-CD1 4.47Å; F345-F348 WeakPolarHBondContact O-CB 3.47Å; F345-F348 PolarHBondContact O-N 2.89Å; F345-K349 HydrophobicContact CD1-CD 4.23Å; F345-K349 HydrophobicContact CD1-CG 4.42Å; F345-K349 HydrophobicContact CE1-CD 3.86Å; F345-K349 HydrophobicContact CE1-CG 4.1Å; F345-K349 HydrophobicContact CZ-CG 4.48Å; F345-K349 PolarHBondContact O-N 2.92Å |
| 346 | E | 90.4 | Very high | 80 | Confident | 103 Ų | 103 | 46.9 Ų | 46.9 | 48% | 0.481 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.9 | -35.3 | 174.4 | -67 | -56.3 | 135.1 | 0 | 0 | 112.3 | E344 F348 K349 R350 | E344-E346 PolarHBondContact O-N 3.04Å; E346-F348 VanDerWaalsContact C-N 3.3Å; E346-K349 PolarHBondContact O-N 3.24Å; E346-R350 VanDerWaalsContact O-CG 3.26Å; E346-R350 WeakPolarHBondContact O-CG 3.33Å; E346-R350 PolarHBondContact O-N 2.96Å |
| 347 | D | 89.8 | Confident | 82.2 | Confident | 41 Ų | 41 | 38 Ų | 38 | 22% | 0.219 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.8 | -39.5 | 172 | -73.4 | -25.4 | 0 | 0 | 0 | 110 | W305 M343 E344 R350 N351 | W305-D347 HydrophobicContact CZ2-CB 4.31Å; M343-D347 HydrophobicContact CB-CB 4.43Å; M343-D347 HydrophobicContact SD-CB 4.4Å; E344-D347 WeakPolarHBondContact O-CB 3.39Å; E344-D347 PolarHBondContact O-N 2.8Å; D347-R350 PolarHBondContact O-N 2.77Å; D347-N351 WeakPolarHBondContact O-CB 3.39Å; D347-N351 PolarHBondContact O-N 2.72Å; D347-N351 PolarHBondContact O-ND2 2.91Å |
| 348 | F | 91.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.5 | -51.6 | 174 | 170.2 | -103.6 | 0 | 0 | 0 | 112.3 | T205 M216 C228 I278 I294 I296 M343 E344 F345 E346 R350 N351 Y352 V355 | T205-F348 HydrophobicContact CG2-CE1 3.98Å; T205-F348 HydrophobicContact CG2-CZ 4.15Å; M216-F348 HydrophobicContact CE-CE1 4.39Å; C228-F348 HydrophobicContact CB-CE2 3.84Å; C228-F348 HydrophobicContact CB-CZ 3.98Å; I278-F348 HydrophobicContact CD1-CZ 4.28Å; I294-F348 HydrophobicContact CD1-CD1 4.05Å; I294-F348 HydrophobicContact CD1-CD2 4.02Å; I294-F348 HydrophobicContact CD1-CE1 4.14Å; I294-F348 HydrophobicContact CD1-CE2 4.11Å; I294-F348 HydrophobicContact CD1-CG 3.99Å; I294-F348 HydrophobicContact CD1-CZ 4.17Å; I294-F348 HydrophobicContact CG2-CB 3.72Å; I294-F348 HydrophobicContact CG2-CD2 4.44Å; I294-F348 HydrophobicContact CG2-CG 4.1Å; I296-F348 HydrophobicContact CD1-CD2 3.52Å; I296-F348 HydrophobicContact CD1-CE2 3.9Å; M343-F348 HydrophobicContact CG-CB 4.31Å; M343-F348 HydrophobicContact SD-CB 3.94Å; E344-F348 PolarHBondContact O-N 3.31Å; F345-F348 HydrophobicContact CD2-CD1 4.04Å; F345-F348 AromaticContact CE2-CD1 3.81Å; F345-F348 HydrophobicContact CE2-CD1 3.81Å; F345-F348 HydrophobicContact CE2-CE1 4.21Å; F345-F348 HydrophobicContact CZ-CD1 4.47Å; F345-F348 WeakPolarHBondContact O-CB 3.47Å; F345-F348 PolarHBondContact O-N 2.89Å; E346-F348 VanDerWaalsContact C-N 3.3Å; F348-R350 PolarHBondContact O-N 3.05Å; F348-R350 VanDerWaalsContact O-N 3.17Å; F348-N351 PolarHBondContact O-N 2.69Å; F348-N351 VanDerWaalsContact O-N 3.17Å; F348-Y352 HydrophobicContact CD2-CD1 4.47Å; F348-Y352 AromaticContact CD2-CD2 3.26Å; F348-Y352 HydrophobicContact CD2-CD2 3.26Å; F348-Y352 AromaticContact CD2-CE2 3.83Å; F348-Y352 HydrophobicContact CD2-CE2 3.83Å; F348-Y352 AromaticContact CD2-CG 3.65Å; F348-Y352 HydrophobicContact CD2-CG 3.65Å; F348-Y352 AromaticContact CE2-CD1 4Å; F348-Y352 HydrophobicContact CE2-CD1 4Å; F348-Y352 AromaticContact CE2-CD2 3.61Å; F348-Y352 HydrophobicContact CE2-CD2 3.61Å; F348-Y352 HydrophobicContact CE2-CE2 4.28Å; F348-Y352 AromaticContact CE2-CG 3.44Å; F348-Y352 HydrophobicContact CE2-CG 3.44Å; F348-Y352 VanDerWaalsContact CE2-CG 3.44Å; F348-Y352 HydrophobicContact CG-CD2 4.26Å; F348-Y352 HydrophobicContact CZ-CG 4.41Å; F348-Y352 PolarHBondContact O-N 2.64Å; F348-V355 HydrophobicContact CE1-CG2 3.59Å; F348-V355 HydrophobicContact CZ-CG2 3.43Å; F348-V355 VanDerWaalsContact CZ-CG2 3.43Å |
| 349 | K | 91.1 | Very high | 85.7 | Confident | 43 Ų | 43 | 29.6 Ų | 29.6 | 19% | 0.187 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.2 | -28.3 | 177.7 | -73.3 | -176.4 | 66.6 | 178.2 | 0 | 113.7 | T205 F345 E346 | T205-K349 WeakPolarHBondContact O-CE 3.29Å; F345-K349 HydrophobicContact CD1-CD 4.23Å; F345-K349 HydrophobicContact CD1-CG 4.42Å; F345-K349 HydrophobicContact CE1-CD 3.86Å; F345-K349 HydrophobicContact CE1-CG 4.1Å; F345-K349 HydrophobicContact CZ-CG 4.48Å; F345-K349 PolarHBondContact O-N 2.92Å; E346-K349 PolarHBondContact O-N 3.24Å |
| 350 | R | 89.8 | Confident | 86.5 | Confident | 193 Ų | 193 | 30.4 Ų | 30.4 | 73% | 0.728 | 14% | 0.136 | S | C | * | . | H | α-helix | trans | -80.7 | -32.5 | 178.9 | -71.6 | 172.1 | -171 | -138.1 | 2.9 | 113.3 | E346 D347 F348 | E346-R350 VanDerWaalsContact O-CG 3.26Å; E346-R350 WeakPolarHBondContact O-CG 3.33Å; E346-R350 PolarHBondContact O-N 2.96Å; D347-R350 PolarHBondContact O-N 2.77Å; F348-R350 PolarHBondContact O-N 3.05Å; F348-R350 VanDerWaalsContact O-N 3.17Å |
| 351 | N | 89.8 | Confident | 86.5 | Confident | 40 Ų | 40 | 30.3 Ų | 30.3 | 21% | 0.214 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -101.7 | -28.8 | -170.8 | -72 | -87.8 | 0 | 0 | 0 | 113.7 | I230 L270 D347 F348 | I230-N351 WeakPolarHBondContact CG1-O 3.42Å; I230-N351 WeakPolarHBondContact CG2-O 3.37Å; L270-N351 HydrophobicContact CD1-CB 3.8Å; D347-N351 WeakPolarHBondContact O-CB 3.39Å; D347-N351 PolarHBondContact O-N 2.72Å; D347-N351 PolarHBondContact O-ND2 2.91Å; F348-N351 PolarHBondContact O-N 2.69Å; F348-N351 VanDerWaalsContact O-N 3.17Å |
| 352 | Y | 91 | Very high | 85.7 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -103.5 | 149.7 | 178.8 | -68 | -100.2 | 0 | 0 | 0 | 110.1 | T205 C228 I230 L270 Y276 I296 M343 F348 | T205-Y352 WeakPolarHBondContact CB-O 3.35Å; T205-Y352 PolarHBondContact OG1-O 2.9Å; C228-Y352 HydrophobicContact CB-CD1 3.88Å; C228-Y352 HydrophobicContact CB-CE1 4.44Å; I230-Y352 HydrophobicContact CD1-CD1 4.27Å; I230-Y352 HydrophobicContact CD1-CE1 4.14Å; I230-Y352 HydrophobicContact CG1-CD1 3.62Å; I230-Y352 HydrophobicContact CG1-CE1 3.9Å; I230-Y352 HydrophobicContact CG1-CG 4.08Å; L270-Y352 HydrophobicContact CD1-CE2 3.9Å; Y276-Y352 AromaticContact CD2-CE1 3.72Å; Y276-Y352 HydrophobicContact CD2-CE1 3.72Å; Y276-Y352 HydrophobicContact CE2-CE1 4.09Å; Y276-Y352 HydrophobicContact CG-CE1 4.01Å; I296-Y352 HydrophobicContact CD1-CD2 4.36Å; I296-Y352 HydrophobicContact CD1-CE1 4.36Å; I296-Y352 HydrophobicContact CD1-CE2 3.67Å; M343-Y352 HydrophobicContact CE-CE2 3.82Å; M343-Y352 HydrophobicContact SD-CD2 4.49Å; M343-Y352 HydrophobicContact SD-CE2 3.92Å; F348-Y352 HydrophobicContact CD2-CD1 4.47Å; F348-Y352 AromaticContact CD2-CD2 3.26Å; F348-Y352 HydrophobicContact CD2-CD2 3.26Å; F348-Y352 AromaticContact CD2-CE2 3.83Å; F348-Y352 HydrophobicContact CD2-CE2 3.83Å; F348-Y352 AromaticContact CD2-CG 3.65Å; F348-Y352 HydrophobicContact CD2-CG 3.65Å; F348-Y352 AromaticContact CE2-CD1 4Å; F348-Y352 HydrophobicContact CE2-CD1 4Å; F348-Y352 AromaticContact CE2-CD2 3.61Å; F348-Y352 HydrophobicContact CE2-CD2 3.61Å; F348-Y352 HydrophobicContact CE2-CE2 4.28Å; F348-Y352 AromaticContact CE2-CG 3.44Å; F348-Y352 HydrophobicContact CE2-CG 3.44Å; F348-Y352 VanDerWaalsContact CE2-CG 3.44Å; F348-Y352 HydrophobicContact CG-CD2 4.26Å; F348-Y352 HydrophobicContact CZ-CG 4.41Å; F348-Y352 PolarHBondContact O-N 2.64Å | ||
| 353 | D | 90.4 | Very high | 84.5 | Confident | 18 Ų | 18 | 34.4 Ų | 34.4 | 10% | 0.096 | 16% | 0.161 | C | C | . | . | trans | -102.4 | -33.3 | -175.9 | -64.6 | -65.2 | 0 | 0 | 0 | 112.5 | E204 T205 K206 S229 I230 D231 | E204-D353 CarbonylContact C-O 3.6Å; E204-D353 WeakPolarHBondContact CA-O 3.4Å; T205-D353 PolarHBondContact N-O 2.65Å; T205-D353 VanDerWaalsContact OG1-C 3.31Å; T205-D353 WeakPolarHBondContact OG1-CA 3.23Å; T205-D353 PolarHBondContact OG1-O 2.73Å; T205-D353 VanDerWaalsContact OG1-O 3.1Å; K206-D353 WeakPolarHBondContact CE-OD1 3.3Å; K206-D353 IonicContact NZ-OD1 3.69Å; K206-D353 PolarHBondContact NZ-OD1 2.91Å; S229-D353 PolarHBondContact O-N 3.36Å; I230-D353 WeakPolarHBondContact CA-OD2 3.3Å; D231-D353 HydrophobicContact CB-CB 4.31Å; D231-D353 PolarHBondContact N-OD2 3.44Å | ||
| 354 | K | 91.2 | Very high | 82.7 | Confident | 50 Ų | 50 | 35.8 Ų | 35.8 | 22% | 0.217 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 145.2 | -173.7 | -64.4 | 171.7 | -174.8 | 145.6 | 0 | 112.1 | M202 Y203 C228 S229 D231 | M202-K354 HydrophobicContact SD-CD 4.12Å; Y203-K354 CarbonylContact O-C 3.59Å; Y203-K354 WeakPolarHBondContact O-CA 3.42Å; C228-K354 WeakPolarHBondContact CA-O 3.44Å; C228-K354 VanDerWaalsContact CB-O 3.22Å; C228-K354 WeakPolarHBondContact CB-O 3.17Å; S229-K354 PolarHBondContact N-O 3.29Å; S229-K354 PolarHBondContact O-N 3.09Å; D231-K354 IonicContact OD1-NZ 2.73Å; D231-K354 PolarHBondContact OD1-NZ 2.81Å; D231-K354 VanDerWaalsContact OD2-CE 3.25Å; D231-K354 WeakPolarHBondContact OD2-CE 3.36Å; D231-K354 IonicContact OD2-NZ 3.24Å; D231-K354 PolarHBondContact OD2-NZ 2.75Å |
| 355 | V | 92.4 | Very high | 80.9 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 130 | 167.1 | 178.6 | 0 | 0 | 0 | 0 | 107.5 | M202 Y203 T205 M216 I278 F348 I357 | M202-V355 CarbonylContact C-O 3.56Å; M202-V355 WeakPolarHBondContact CA-O 3.46Å; Y203-V355 PolarHBondContact N-O 3.22Å; Y203-V355 PolarHBondContact O-N 3.2Å; T205-V355 HydrophobicContact CG2-CG2 3.73Å; M216-V355 HydrophobicContact CE-CG1 3.84Å; M216-V355 HydrophobicContact CE-CG2 4.24Å; M216-V355 HydrophobicContact CG-CG1 4.44Å; M216-V355 HydrophobicContact SD-CG1 4.18Å; M216-V355 HydrophobicContact SD-CG2 4.3Å; I278-V355 HydrophobicContact CD1-CG1 4.12Å; F348-V355 HydrophobicContact CE1-CG2 3.59Å; F348-V355 HydrophobicContact CZ-CG2 3.43Å; F348-V355 VanDerWaalsContact CZ-CG2 3.43Å; V355-I357 HydrophobicContact CG1-CD1 4.37Å; V355-I357 HydrophobicContact CG1-CG1 3.91Å |
| 356 | E | 92.2 | Very high | 79 | Confident | 10 Ų | 10 | 38.9 Ų | 38.9 | 5% | 0.047 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.6 | 175.7 | -65.1 | 175.5 | 162.6 | 0 | 0 | 108.2 | S187 T188 M189 M202 M226 G227 | S187-E356 WeakPolarHBondContact CB-OE1 3.45Å; S187-E356 PolarHBondContact OG-OE1 3.14Å; S187-E356 PolarHBondContact OG-OE2 2.86Å; T188-E356 WeakPolarHBondContact CA-OE2 3.44Å; T188-E356 WeakPolarHBondContact CB-OE2 3.33Å; T188-E356 PolarHBondContact N-OE2 3.08Å; T188-E356 PolarHBondContact OG1-OE2 2.98Å; M189-E356 HydrophobicContact CB-CB 4.15Å; M189-E356 HydrophobicContact CB-CG 4.33Å; M189-E356 PolarHBondContact N-OE2 3.09Å; M202-E356 HydrophobicContact CE-CG 3.84Å; M202-E356 VanDerWaalsContact CE-OE1 3.32Å; M202-E356 WeakPolarHBondContact CE-OE1 3.16Å; M226-E356 CarbonylContact C-O 3.58Å; M226-E356 VanDerWaalsContact CA-O 3.25Å; M226-E356 WeakPolarHBondContact CA-O 3.5Å; G227-E356 PolarHBondContact N-O 2.87Å; G227-E356 PolarHBondContact O-N 3.5Å |
| 357 | I | 88.9 | Confident | 77 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 117.2 | -179.8 | -51.6 | -175.8 | 0 | 0 | 0 | 107.8 | G200 E201 Y203 I215 M216 A219 M226 V355 | G200-I357 CarbonylContact C-O 3.54Å; G200-I357 WeakPolarHBondContact CA-O 3.18Å; E201-I357 PolarHBondContact N-O 2.71Å; E201-I357 PolarHBondContact O-N 3.4Å; Y203-I357 HydrophobicContact CD2-CD1 4.08Å; Y203-I357 HydrophobicContact CE2-CD1 3.83Å; I215-I357 HydrophobicContact CG2-CD1 4.45Å; M216-I357 HydrophobicContact CG-CD1 4.13Å; A219-I357 HydrophobicContact CB-CG2 3.9Å; M226-I357 HydrophobicContact CE-CG2 4.13Å; M226-I357 HydrophobicContact CG-CB 4.35Å; M226-I357 HydrophobicContact CG-CG1 4.1Å; M226-I357 HydrophobicContact CG-CG2 4.1Å; M226-I357 HydrophobicContact SD-CG1 4.41Å; V355-I357 HydrophobicContact CG1-CD1 4.37Å; V355-I357 HydrophobicContact CG1-CG1 3.91Å |
| 358 | C | 90.2 | Very high | 74.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 107.4 | 170.6 | -171.4 | 0 | 0 | 0 | 0 | 108.8 | M192 S224 M225 | M192-C358 HydrophobicContact CB-CB 3.44Å; M192-C358 VanDerWaalsContact CB-CB 3.44Å; M192-C358 HydrophobicContact CG-CB 4.26Å; M192-C358 HydrophobicContact SD-CB 3.93Å; S224-C358 WeakPolarHBondContact CA-O 3.24Å; S224-C358 VanDerWaalsContact CB-O 3.26Å; S224-C358 WeakPolarHBondContact CB-O 3.38Å; M225-C358 HydrophobicContact CB-CB 4.38Å; M225-C358 PolarHBondContact N-O 2.94Å; M225-C358 PolarHBondContact O-N 2.94Å |
| 359 | N | 82.4 | Confident | 72.9 | Confident | 27 Ų | 27 | 47.3 Ų | 47.3 | 14% | 0.144 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 132.4 | 175.1 | -64 | -48.8 | 0 | 0 | 0 | 109.5 | G198 V199 E201 S224 S361 | G198-N359 CarbonylContact C-O 3.53Å; G198-N359 WeakPolarHBondContact CA-O 3.23Å; V199-N359 HydrophobicContact CG1-CB 4.21Å; V199-N359 PolarHBondContact N-O 3.15Å; V199-N359 PolarHBondContact O-N 2.91Å; E201-N359 PolarHBondContact OE1-ND2 3.08Å; S224-N359 PolarHBondContact OG-OD1 2.87Å; N359-S361 PolarHBondContact O-N 3.4Å |
| 360 | M | 72.3 | Confident | 70.8 | Confident | 21 Ų | 21 | 55 Ų | 55 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 135.4 | 179.4 | -58.1 | -57.6 | -79.2 | 0 | 0 | 110.2 | A108 T196 A364 L365 | A108-M360 HydrophobicContact CB-CE 4.22Å; T196-M360 HydrophobicContact CG2-CE 3.74Å; T196-M360 HydrophobicContact CG2-SD 3.59Å; T196-M360 VanDerWaalsContact CG2-SD 3.59Å; M360-A364 HydrophobicContact CB-CB 4.19Å; M360-A364 HydrophobicContact CE-CB 3.44Å; M360-A364 VanDerWaalsContact CE-CB 3.44Å; M360-L365 HydrophobicContact CB-CD2 4.03Å; M360-L365 HydrophobicContact CB-CG 4.08Å |
| 361 | S | 64.3 | Low | 69.1 | Low | 13 Ų | 13 | 51.8 Ų | 51.8 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 159.4 | 170.6 | 54.5 | 0 | 0 | 0 | 0 | 110.4 | T196 G197 N359 D363 A364 L365 | T196-S361 PolarHBondContact O-OG 3.4Å; G197-S361 WeakPolarHBondContact O-CB 3.36Å; N359-S361 PolarHBondContact O-N 3.4Å; S361-D363 PolarHBondContact O-N 3.05Å; S361-A364 PolarHBondContact O-N 3.23Å; S361-L365 PolarHBondContact O-N 3.17Å |
| 362 | P | 56.8 | Low | 67.8 | Low | 27 Ų | 27 | 55.3 Ų | 55.3 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -47.6 | -35.4 | 171.6 | -28.3 | 35.6 | 0 | 0 | 0 | 113.5 | A364 L365 W373 V375 | P362-A364 PolarHBondContact O-N 3.28Å; P362-L365 PolarHBondContact O-N 3.31Å; P362-W373 HydrophobicContact CG-CB 3.98Å; P362-W373 WeakPolarHBondContact CG-O 3.49Å; P362-V375 HydrophobicContact CG-CG2 4.15Å |
| 363 | D | 52.3 | Low | 66.8 | Low | 76 Ų | 76 | 58.9 Ų | 58.9 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -70.1 | -13.4 | -179.8 | -62.2 | -23.4 | 0 | 0 | 0 | 115.2 | S12 S361 | S12-D363 WeakPolarHBondContact CB-OD2 3.3Å; S12-D363 VanDerWaalsContact OG-CG 3.23Å; S12-D363 PolarHBondContact OG-OD1 3.19Å; S12-D363 PolarHBondContact OG-OD2 3.19Å; S361-D363 PolarHBondContact O-N 3.05Å |
| 364 | A | 49.4 | Very low | 66.3 | Low | 30 Ų | 30 | 60.9 Ų | 60.9 | 25% | 0.248 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -114.6 | 6.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M360 S361 P362 | M360-A364 HydrophobicContact CB-CB 4.19Å; M360-A364 HydrophobicContact CE-CB 3.44Å; M360-A364 VanDerWaalsContact CE-CB 3.44Å; S361-A364 PolarHBondContact O-N 3.23Å; P362-A364 PolarHBondContact O-N 3.28Å |
| 365 | L | 51.8 | Low | 66 | Low | 44 Ų | 44 | 61 Ų | 61 | 23% | 0.23 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -100.6 | 143.6 | 172.8 | -69 | 166.1 | 0 | 0 | 0 | 109 | M360 S361 P362 T369 | M360-L365 HydrophobicContact CB-CD2 4.03Å; M360-L365 HydrophobicContact CB-CG 4.08Å; S361-L365 PolarHBondContact O-N 3.17Å; P362-L365 PolarHBondContact O-N 3.31Å; L365-T369 HydrophobicContact CB-CG2 4.49Å; L365-T369 HydrophobicContact CD1-CG2 4.28Å |
| 366 | D | 50.3 | Low | 65.8 | Low | 79 Ų | 79 | 62.4 Ų | 62.4 | 42% | 0.422 | 32% | 0.316 | S | S | . | . | trans | -66.7 | 159 | 178.8 | 64.5 | 36.2 | 0 | 0 | 0 | 112.6 | T368 T369 | D366-T368 PolarHBondContact O-N 3.12Å; D366-T368 WeakPolarHBondContact OD1-CA 3.36Å; D366-T368 WeakPolarHBondContact OD1-CB 3.44Å; D366-T368 PolarHBondContact OD1-N 3.15Å; D366-T368 PolarHBondContact OD1-OG1 3.46Å; D366-T368 PolarHBondContact OD2-OG1 3.19Å; D366-T369 WeakPolarHBondContact O-CB 3.13Å; D366-T369 PolarHBondContact O-N 2.93Å; D366-T369 VanDerWaalsContact O-N 3.08Å; D366-T369 PolarHBondContact O-OG1 2.83Å; D366-T369 VanDerWaalsContact O-OG1 3.09Å; D366-T369 PolarHBondContact OD1-N 2.85Å; D366-T369 VanDerWaalsContact OD1-N 3.14Å; D366-T369 PolarHBondContact OD1-OG1 2.81Å; D366-T369 VanDerWaalsContact OD1-OG1 3.08Å | ||
| 367 | D | 48.9 | Very low | 65.8 | Low | 168 Ų | 168 | 63 Ų | 63 | 90% | 0.898 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -6.8 | 176 | -76.3 | -22.5 | 0 | 0 | 0 | 113.7 | ||
| 368 | T | 44.3 | Very low | 66 | Low | 112 Ų | 112 | 63.5 Ų | 63.5 | 69% | 0.687 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -4 | 179.3 | 77.2 | 0 | 0 | 0 | 0 | 113.2 | D366 K370 | D366-T368 PolarHBondContact O-N 3.12Å; D366-T368 WeakPolarHBondContact OD1-CA 3.36Å; D366-T368 WeakPolarHBondContact OD1-CB 3.44Å; D366-T368 PolarHBondContact OD1-N 3.15Å; D366-T368 PolarHBondContact OD1-OG1 3.46Å; D366-T368 PolarHBondContact OD2-OG1 3.19Å; T368-K370 PolarHBondContact O-N 2.85Å |
| 369 | T | 52.2 | Low | 66 | Low | 40 Ų | 40 | 66.4 Ų | 66.4 | 25% | 0.245 | 34% | 0.336 | C | S | . | . | trans | -73.5 | 113.6 | -178.1 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | L365 D366 R371 | L365-T369 HydrophobicContact CB-CG2 4.49Å; L365-T369 HydrophobicContact CD1-CG2 4.28Å; D366-T369 WeakPolarHBondContact O-CB 3.13Å; D366-T369 PolarHBondContact O-N 2.93Å; D366-T369 VanDerWaalsContact O-N 3.08Å; D366-T369 PolarHBondContact O-OG1 2.83Å; D366-T369 VanDerWaalsContact O-OG1 3.09Å; D366-T369 PolarHBondContact OD1-N 2.85Å; D366-T369 VanDerWaalsContact OD1-N 3.14Å; D366-T369 PolarHBondContact OD1-OG1 2.81Å; D366-T369 VanDerWaalsContact OD1-OG1 3.08Å; T369-R371 PolarHBondContact O-N 2.85Å; T369-R371 VanDerWaalsContact O-N 3.11Å | ||
| 370 | K | 45.4 | Very low | 66.4 | Low | 205 Ų | 205 | 65.9 Ų | 65.9 | 89% | 0.891 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -66.9 | -11.3 | -171.6 | -66.7 | -175.4 | 179.2 | -179.1 | 0 | 116.1 | T368 | T368-K370 PolarHBondContact O-N 2.85Š|
| 371 | R | 54.8 | Low | 67.3 | Low | 126 Ų | 126 | 67 Ų | 67 | 48% | 0.475 | 34% | 0.344 | S | S | . | . | trans | -138 | 125.8 | -178.5 | -64.5 | -168.5 | -177 | -175.3 | 3.1 | 109.7 | T369 D414 E512 | T369-R371 PolarHBondContact O-N 2.85Å; T369-R371 VanDerWaalsContact O-N 3.11Å; R371-D414 IonicContact CZ-OD2 2.79Å; R371-D414 IonicContact NH1-OD2 2.74Å; R371-D414 PolarHBondContact NH1-OD2 2.88Å; R371-D414 IonicContact NH2-OD2 3.6Å; R371-D414 PolarHBondContact NH2-OD2 2.81Å; R371-E512 WeakPolarHBondContact CD-OE1 3.19Å; R371-E512 IonicContact CZ-OE1 3.58Å; R371-E512 IonicContact NE-OE1 2.78Å; R371-E512 IonicContact NH1-OE1 3.4Å; R371-E512 PolarHBondContact NH1-OE1 3.14Å; R371-E512 IonicContact NH1-OE2 3.43Å | ||
| 372 | H | 61.4 | Low | 68.7 | Low | 113 Ų | 113 | 66.5 Ų | 66.5 | 52% | 0.523 | 34% | 0.34 | S | S | . | . | trans | -108.5 | 139.7 | 175.3 | -60.6 | -78.2 | 0 | 0 | 0 | 109.6 | ||||
| 373 | W | 71.6 | Confident | 70.2 | Confident | 76 Ų | 76 | 67 Ų | 67 | 29% | 0.288 | 34% | 0.34 | S | S | . | . | trans | -80.4 | 137.4 | 169.4 | -66.9 | 90.3 | 0 | 0 | 0 | 109.5 | P362 F510 E512 | P362-W373 HydrophobicContact CG-CB 3.98Å; P362-W373 WeakPolarHBondContact CG-O 3.49Å; W373-F510 HydrophobicContact CB-CD1 4.36Å; W373-F510 HydrophobicContact CD2-CB 4.33Å; W373-F510 HydrophobicContact CE3-CB 3.85Å; W373-E512 HydrophobicContact CZ3-CB 4.17Å | ||
| 374 | E | 78.5 | Confident | 71.8 | Confident | 60 Ų | 60 | 68.1 Ų | 68.1 | 28% | 0.28 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 140 | 160.3 | -169.3 | -176.4 | -149 | 0 | 0 | 109 | F510 S511 K514 A515 | E374-F510 CarbonylContact O-C 3.47Å; E374-F510 VanDerWaalsContact O-CA 3.28Å; E374-F510 WeakPolarHBondContact O-CA 3.44Å; E374-S511 PolarHBondContact N-O 2.74Å; E374-S511 PolarHBondContact O-N 3.43Å; E374-K514 VanDerWaalsContact OE2-C 3.3Å; E374-K514 WeakPolarHBondContact OE2-CA 3.46Å; E374-K514 WeakPolarHBondContact OE2-CG 3.33Å; E374-A515 PolarHBondContact OE2-N 2.97Å |
| 375 | V | 85.1 | Confident | 73.2 | Confident | 52 Ų | 52 | 66.9 Ų | 66.9 | 32% | 0.315 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 121 | -177.6 | -167 | 0 | 0 | 0 | 0 | 110 | P362 V377 I509 F510 | P362-V375 HydrophobicContact CG-CG2 4.15Å; V375-V377 HydrophobicContact CG1-CG2 3.83Å; V375-I509 WeakPolarHBondContact CA-O 3.32Å; V375-F510 HydrophobicContact CB-CD1 4.36Å; V375-F510 HydrophobicContact CB-CE1 4.4Å; V375-F510 HydrophobicContact CG1-CD1 4.07Å; V375-F510 HydrophobicContact CG1-CE1 3.81Å; V375-F510 HydrophobicContact CG1-CZ 4.14Å; V375-F510 HydrophobicContact CG2-CD1 3.52Å; V375-F510 HydrophobicContact CG2-CE1 3.65Å; V375-F510 HydrophobicContact CG2-CG 4.49Å |
| 376 | N | 89.7 | Confident | 74.8 | Confident | 29 Ų | 29 | 65.2 Ų | 65.2 | 16% | 0.155 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 132.7 | 167.4 | -70.9 | -91.4 | 0 | 0 | 0 | 109.3 | F378 R508 I509 A515 A517 | N376-F378 HydrophobicContact CB-CE2 3.94Å; N376-F378 HydrophobicContact CB-CZ 4.41Å; N376-R508 WeakPolarHBondContact O-CA 3.47Å; N376-I509 HydrophobicContact CB-CB 4.33Å; N376-I509 PolarHBondContact N-O 3.07Å; N376-I509 PolarHBondContact O-N 3.28Å; N376-A515 PolarHBondContact ND2-O 3.03Å; N376-A517 HydrophobicContact CB-CB 3.92Å |
| 377 | V | 90.7 | Very high | 76.6 | Confident | 24 Ų | 24 | 61.5 Ų | 61.5 | 15% | 0.145 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 130.4 | -175.8 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | N135 V375 L506 I507 R508 | N135-V377 HydrophobicContact CB-CG1 4.17Å; V375-V377 HydrophobicContact CG1-CG2 3.83Å; V377-L506 HydrophobicContact CG1-CD1 3.47Å; V377-L506 VanDerWaalsContact CG1-CD1 3.47Å; V377-L506 HydrophobicContact CG1-CG 4.19Å; V377-I507 CarbonylContact C-O 3.6Å; V377-I507 VanDerWaalsContact CA-O 3.31Å; V377-I507 WeakPolarHBondContact CA-O 3.35Å; V377-R508 HydrophobicContact CG1-CG 4.37Å; V377-R508 HydrophobicContact CG2-CG 4.25Å |
| 378 | F | 92.6 | Very high | 78.7 | Confident | 11 Ų | 11 | 53.5 Ų | 53.5 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 137 | 177.5 | -57.9 | -83.4 | 0 | 0 | 0 | 111 | T6 N376 F404 L506 I507 I509 A517 | T6-F378 HydrophobicContact CG2-CE1 4.32Å; N376-F378 HydrophobicContact CB-CE2 3.94Å; N376-F378 HydrophobicContact CB-CZ 4.41Å; F378-F404 HydrophobicContact CB-CD1 4.01Å; F378-F404 HydrophobicContact CB-CE1 3.45Å; F378-F404 VanDerWaalsContact CB-CE1 3.45Å; F378-F404 HydrophobicContact CB-CZ 4.06Å; F378-F404 AromaticContact CD1-CD1 3.73Å; F378-F404 HydrophobicContact CD1-CD1 3.73Å; F378-F404 AromaticContact CD1-CE1 3.69Å; F378-F404 HydrophobicContact CD1-CE1 3.69Å; F378-F404 AromaticContact CD2-CD1 3.94Å; F378-F404 HydrophobicContact CD2-CD1 3.94Å; F378-F404 HydrophobicContact CD2-CE1 4.27Å; F378-F404 HydrophobicContact CE1-CD1 4.23Å; F378-F404 HydrophobicContact CE2-CD1 4.42Å; F378-F404 AromaticContact CG-CD1 3.59Å; F378-F404 HydrophobicContact CG-CD1 3.59Å; F378-F404 AromaticContact CG-CE1 3.52Å; F378-F404 HydrophobicContact CG-CE1 3.52Å; F378-L506 CarbonylContact O-C 3.41Å; F378-L506 WeakPolarHBondContact O-CA 3.39Å; F378-I507 HydrophobicContact CB-CB 4.39Å; F378-I507 PolarHBondContact N-O 2.96Å; F378-I507 PolarHBondContact O-N 3.48Å; F378-I509 HydrophobicContact CE2-CD1 4.26Å; F378-A517 HydrophobicContact CE2-CB 3.52Å; F378-A517 HydrophobicContact CZ-CB 3.5Å; F378-A517 VanDerWaalsContact CZ-CB 3.5Å; F378-A517 WeakPolarHBondContact CZ-O 3.47Å |
| 379 | E | 92 | Very high | 81 | Confident | 62 Ų | 62 | 48.1 Ų | 48.1 | 29% | 0.29 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 139.7 | 169.2 | -67.5 | -171 | -142.9 | 0 | 0 | 108.9 | K427 L506 | E379-K427 IonicContact OE2-NZ 2.6Å; E379-K427 PolarHBondContact OE2-NZ 2.76Å; E379-L506 HydrophobicContact CG-CD1 3.58Å |
| 380 | G | 90.6 | Very high | 83.1 | Confident | 16 Ų | 16 | 46.2 Ų | 46.2 | 17% | 0.165 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | -178.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | F505 | G380-F505 VanDerWaalsContact C-CE1 3.45Å; G380-F505 PolarHBondContact N-O 2.79Å; G380-F505 PolarHBondContact O-N 3.13Å |
| 381 | N | 91.4 | Very high | 85.5 | Confident | 45 Ų | 45 | 36.7 Ų | 36.7 | 24% | 0.241 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 145.7 | 178.8 | 52.5 | 35.5 | 0 | 0 | 0 | 112 | I383 T387 A503 D504 F505 Q696 | N381-I383 HydrophobicContact CB-CG1 4.17Å; N381-T387 PolarHBondContact O-OG1 2.72Å; N381-A503 WeakPolarHBondContact CA-O 3.49Å; N381-D504 WeakPolarHBondContact CB-OD1 3.21Å; N381-F505 VanDerWaalsContact N-CE1 3.31Å; N381-Q696 PolarHBondContact OD1-NE2 3.39Å |
| 382 | W | 93.2 | Very high | 87.4 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 115.2 | 163.1 | -58.8 | -68.7 | 0 | 0 | 0 | 107.3 | A388 L424 I442 P494 T496 E502 A503 F505 | W382-A388 HydrophobicContact CB-CB 3.97Å; W382-L424 HydrophobicContact CH2-CD1 4.09Å; W382-L424 HydrophobicContact CH2-CD2 4.08Å; W382-L424 HydrophobicContact CH2-CG 4.36Å; W382-L424 HydrophobicContact CZ2-CD1 4.31Å; W382-L424 HydrophobicContact CZ2-CD2 4.16Å; W382-I442 HydrophobicContact CH2-CB 4.36Å; W382-I442 HydrophobicContact CH2-CG2 3.81Å; W382-I442 HydrophobicContact CZ3-CG2 3.91Å; W382-P494 HydrophobicContact CZ2-CB 3.96Å; W382-P494 PolarHBondContact NE1-O 3.02Å; W382-T496 HydrophobicContact CD2-CG2 3.9Å; W382-T496 HydrophobicContact CE3-CG2 3.73Å; W382-T496 HydrophobicContact CG-CG2 4.33Å; W382-T496 HydrophobicContact CZ3-CG2 4.1Å; W382-E502 WeakPolarHBondContact O-CA 3.33Å; W382-A503 HydrophobicContact CE3-CB 3.83Å; W382-A503 HydrophobicContact CZ3-CB 4.12Å; W382-A503 PolarHBondContact N-O 2.99Å; W382-A503 PolarHBondContact O-N 3.33Å; W382-F505 AromaticContact CD2-CD1 3.63Å; W382-F505 HydrophobicContact CD2-CD1 3.63Å; W382-F505 HydrophobicContact CD2-CE1 4.01Å; W382-F505 AromaticContact CE2-CD1 3.59Å; W382-F505 AromaticContact CE2-CE1 3.78Å; W382-F505 HydrophobicContact CE3-CB 4.39Å; W382-F505 AromaticContact CE3-CD1 3.71Å; W382-F505 HydrophobicContact CE3-CD1 3.71Å; W382-F505 HydrophobicContact CE3-CG 4.48Å; W382-F505 HydrophobicContact CG-CD1 4.34Å; W382-F505 HydrophobicContact CG-CE1 4.35Å; W382-F505 HydrophobicContact CH2-CB 3.77Å; W382-F505 AromaticContact CH2-CD1 3.83Å; W382-F505 HydrophobicContact CH2-CD1 3.83Å; W382-F505 AromaticContact CH2-CG 3.96Å; W382-F505 HydrophobicContact CH2-CG 3.96Å; W382-F505 HydrophobicContact CZ2-CB 4.43Å; W382-F505 AromaticContact CZ2-CD1 3.71Å; W382-F505 HydrophobicContact CZ2-CD1 3.71Å; W382-F505 HydrophobicContact CZ2-CE1 4.17Å; W382-F505 HydrophobicContact CZ2-CG 4.12Å; W382-F505 HydrophobicContact CZ3-CB 3.74Å; W382-F505 AromaticContact CZ3-CD1 3.82Å; W382-F505 HydrophobicContact CZ3-CD1 3.82Å; W382-F505 HydrophobicContact CZ3-CG 4.14Å; W382-F505 AromaticContact NE1-CE1 3.9Å |
| 383 | I | 88.5 | Confident | 89 | Confident | 36 Ų | 36 | 35.2 Ų | 35.2 | 19% | 0.185 | 17% | 0.172 | C | C | . | . | trans | -115.9 | 133.4 | 178.1 | -55.7 | -161.9 | 0 | 0 | 0 | 108.3 | N381 G385 S386 T387 A388 Q696 | N381-I383 HydrophobicContact CB-CG1 4.17Å; I383-G385 PolarHBondContact O-N 3.16Å; I383-S386 PolarHBondContact O-N 2.91Å; I383-T387 PolarHBondContact N-OG1 3.34Å; I383-T387 PolarHBondContact O-N 3.19Å; I383-A388 VanDerWaalsContact O-CB 3.27Å; I383-A388 WeakPolarHBondContact O-CB 3.21Å; I383-A388 PolarHBondContact O-N 2.75Å; I383-Q696 HydrophobicContact CB-CG 4.23Å; I383-Q696 HydrophobicContact CD1-CB 4.28Å; I383-Q696 HydrophobicContact CD1-CG 3.77Å; I383-Q696 VanDerWaalsContact CD1-OE1 3.31Å; I383-Q696 HydrophobicContact CG1-CG 4.3Å; I383-Q696 HydrophobicContact CG2-CG 4.48Å | ||
| 384 | R | 85.9 | Confident | 90.1 | Very high | 100 Ų | 100 | 35.3 Ų | 35.3 | 38% | 0.377 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 133.1 | -179.3 | -179 | 166.7 | 177.5 | -161.8 | -3.8 | 109.7 | S386 H500 E502 Y707 | R384-S386 VanDerWaalsContact C-N 3.28Å; R384-S386 PolarHBondContact O-N 2.95Å; R384-H500 HydrophobicContact CG-CB 3.83Å; R384-E502 HydrophobicContact CB-CG 3.77Å; R384-E502 VanDerWaalsContact CB-OE1 3.29Å; R384-E502 WeakPolarHBondContact CB-OE1 3.45Å; R384-E502 PolarHBondContact N-OE1 2.92Å; R384-Y707 HydrophobicContact CB-CE1 4.15Å; R384-Y707 HydrophobicContact CB-CE2 4.19Å; R384-Y707 HydrophobicContact CG-CD1 4.47Å; R384-Y707 HydrophobicContact CG-CD2 3.8Å; R384-Y707 HydrophobicContact CG-CE1 4.19Å; R384-Y707 HydrophobicContact CG-CE2 3.51Å; R384-Y707 HydrophobicContact CG-CG 4.27Å; R384-Y707 WeakPolarHBondContact O-CD1 3.34Å; R384-Y707 WeakPolarHBondContact O-CE1 3.41Å |
| 385 | G | 78.9 | Confident | 90.7 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 4% | 0.041 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 31.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I383 S676 | I383-G385 PolarHBondContact O-N 3.16Å; G385-S676 WeakPolarHBondContact CA-OG 3.35Å; G385-S676 WeakPolarHBondContact O-CB 3.17Å; G385-S676 PolarHBondContact O-OG 2.99Å |
| 386 | S | 83.8 | Confident | 90.9 | Very high | 10 Ų | 10 | 36 Ų | 36 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -153.4 | -65.3 | 167.7 | -173.9 | 0 | 0 | 0 | 0 | 111 | I383 R384 Y677 Q696 | I383-S386 PolarHBondContact O-N 2.91Å; R384-S386 VanDerWaalsContact C-N 3.28Å; R384-S386 PolarHBondContact O-N 2.95Å; S386-Y677 WeakPolarHBondContact O-CE1 3.5Å; S386-Q696 WeakPolarHBondContact OG-CG 3.28Å |
| 387 | T | 89.8 | Confident | 90.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | -8.4 | -174.1 | 54.1 | 0 | 0 | 0 | 0 | 113 | N381 I383 G389 N401 P402 N692 Q696 | N381-T387 PolarHBondContact O-OG1 2.72Å; I383-T387 PolarHBondContact N-OG1 3.34Å; I383-T387 PolarHBondContact O-N 3.19Å; T387-G389 PolarHBondContact O-N 2.9Å; T387-N401 WeakPolarHBondContact O-CA 3.5Å; T387-N401 PolarHBondContact O-OD1 3.36Å; T387-N401 VanDerWaalsContact O-OD1 3.13Å; T387-P402 HydrophobicContact CG2-CG 4.44Å; T387-N692 HydrophobicContact CG2-CB 3.93Å; T387-Q696 PolarHBondContact OG1-NE2 3.31Å |
| 388 | A | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -79.9 | 65.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | W382 I383 G390 P499 H500 H501 Y677 | W382-A388 HydrophobicContact CB-CB 3.97Å; I383-A388 VanDerWaalsContact O-CB 3.27Å; I383-A388 WeakPolarHBondContact O-CB 3.21Å; I383-A388 PolarHBondContact O-N 2.75Å; A388-G390 PolarHBondContact O-N 3Å; A388-P499 WeakPolarHBondContact O-CA 3.47Å; A388-H500 PolarHBondContact O-N 3.21Å; A388-H501 WeakPolarHBondContact CB-O 3.07Å; A388-Y677 PolarHBondContact O-OH 3.2Å | ||
| 389 | G | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -79.2 | -12.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | T387 T397 F398 T400 N401 | T387-G389 PolarHBondContact O-N 2.9Å; G389-T397 VanDerWaalsContact CA-O 3.25Å; G389-T397 WeakPolarHBondContact CA-O 3.39Å; G389-T397 CarbonylContact O-C 3.55Å; G389-T397 VanDerWaalsContact O-CB 3.3Å; G389-T397 WeakPolarHBondContact O-CB 3.03Å; G389-T397 PolarHBondContact O-OG1 3.27Å; G389-F398 PolarHBondContact O-N 3.05Å; G389-T400 WeakPolarHBondContact CA-OG1 3.48Å; G389-N401 WeakPolarHBondContact CA-ND2 3.46Å; G389-N401 PolarHBondContact N-OD1 2.8Å | ||
| 390 | G | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | 71.3 | -178.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A388 F398 N401 T495 T496 | A388-G390 PolarHBondContact O-N 3Å; G390-F398 WeakPolarHBondContact O-CD2 3.43Å; G390-N401 PolarHBondContact O-ND2 3.12Å; G390-T495 WeakPolarHBondContact O-CB 3.41Å; G390-T496 CarbonylContact C-O 3.39Å; G390-T496 VanDerWaalsContact C-O 3.24Å; G390-T496 WeakPolarHBondContact CA-O 3.4Å | ||
| 391 | C | 96.2 | Very high | 91.1 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.027 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -77.8 | 176.1 | -176.2 | 74.7 | 0 | 0 | 0 | 0 | 112.9 | N393 Y394 Y473 T496 F497 | C391-N393 PolarHBondContact O-N 3.11Å; C391-Y394 PolarHBondContact O-N 3.32Å; C391-Y473 HydrophobicContact CB-CD1 4.46Å; C391-Y473 HydrophobicContact CB-CE1 3.69Å; C391-Y473 HydrophobicContact CB-CE2 4.39Å; C391-T496 PolarHBondContact N-O 3.37Å; C391-F497 HydrophobicContact CB-CD2 4.44Å; C391-F497 PolarHBondContact N-O 3.43Å; C391-F497 PolarHBondContact SG-O 3.24Å |
| 392 | R | 94.8 | Very high | 91.2 | Very high | 85 Ų | 85 | 29.6 Ų | 29.6 | 32% | 0.321 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -17.5 | -174.7 | -178.1 | 57.4 | -174.1 | 73 | 0.5 | 114.8 | Y394 F398 F461 | R392-Y394 PolarHBondContact O-N 3.03Å; R392-F398 HydrophobicContact CB-CD2 4.2Å; R392-F398 HydrophobicContact CB-CE2 4.07Å; R392-F398 HydrophobicContact CB-CZ 4.26Å; R392-F398 VanDerWaalsContact N-CD2 3.29Å; R392-F461 VanDerWaalsContact CZ-O 3.25Å; R392-F461 PolarHBondContact NE-O 2.8Å; R392-F461 PolarHBondContact NH2-O 3.33Å |
| 393 | N | 94.8 | Very high | 91.3 | Very high | 124 Ų | 124 | 29.6 Ų | 29.6 | 66% | 0.663 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -26.9 | 173 | -65.1 | -13.8 | 0 | 0 | 0 | 112 | C391 I395 | C391-N393 PolarHBondContact O-N 3.11Å; N393-I395 PolarHBondContact O-N 3.19Å |
| 394 | Y | 94.3 | Very high | 91.6 | Very high | 77 Ų | 77 | 27.9 Ų | 27.9 | 30% | 0.302 | 13% | 0.131 | S | C | . | . | trans | -102.4 | 65.1 | 179.7 | -56 | -87.6 | 0 | 0 | 0 | 109.7 | C391 R392 D396 T397 F398 F497 Q498 P499 | C391-Y394 PolarHBondContact O-N 3.32Å; R392-Y394 PolarHBondContact O-N 3.03Å; Y394-D396 PolarHBondContact O-N 2.89Å; Y394-D396 VanDerWaalsContact O-N 3.09Å; Y394-T397 PolarHBondContact O-N 3.49Å; Y394-T397 VanDerWaalsContact O-N 3.08Å; Y394-T397 PolarHBondContact O-OG1 3.39Å; Y394-F398 WeakPolarHBondContact O-CB 3.27Å; Y394-F398 PolarHBondContact O-N 3.43Å; Y394-F497 WeakPolarHBondContact CE2-O 3.39Å; Y394-Q498 VanDerWaalsContact CZ-OE1 3.31Å; Y394-Q498 VanDerWaalsContact OH-CD 3.24Å; Y394-Q498 PolarHBondContact OH-NE2 2.84Å; Y394-Q498 PolarHBondContact OH-OE1 2.84Å; Y394-P499 HydrophobicContact CD1-CG 3.88Å; Y394-P499 HydrophobicContact CE1-CG 4.19Å; Y394-P499 HydrophobicContact CG-CG 4.1Å | ||
| 395 | I | 91.8 | Very high | 92 | Very high | 28 Ų | 28 | 25 Ų | 25 | 14% | 0.144 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.6 | -26.6 | -170.7 | -166.2 | 48.4 | 0 | 0 | 0 | 114 | N393 T397 F461 | N393-I395 PolarHBondContact O-N 3.19Å; I395-T397 VanDerWaalsContact C-N 3.26Å; I395-T397 PolarHBondContact O-N 3.2Å; I395-F461 HydrophobicContact CD1-CB 3.66Å |
| 396 | D | 87.6 | Confident | 92.7 | Very high | 99 Ų | 99 | 25 Ų | 25 | 53% | 0.529 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -67.3 | -29.2 | -179.8 | -59.9 | -45.9 | 0 | 0 | 0 | 112.5 | Y394 W399 K458 | Y394-D396 PolarHBondContact O-N 2.89Å; Y394-D396 VanDerWaalsContact O-N 3.09Å; D396-W399 VanDerWaalsContact O-CD1 3.32Å; D396-W399 PolarHBondContact O-NE1 3.35Å; D396-K458 WeakPolarHBondContact OD1-CE 3.32Å; D396-K458 IonicContact OD1-NZ 3.06Å; D396-K458 PolarHBondContact OD1-NZ 2.94Å |
| 397 | T | 90.3 | Very high | 93.2 | Very high | 23 Ų | 23 | 26.7 Ų | 26.7 | 14% | 0.141 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -114.8 | -20.3 | -178 | 52.8 | 0 | 0 | 0 | 0 | 113.2 | G389 Y394 I395 W399 T400 Y677 | G389-T397 VanDerWaalsContact CA-O 3.25Å; G389-T397 WeakPolarHBondContact CA-O 3.39Å; G389-T397 CarbonylContact O-C 3.55Å; G389-T397 VanDerWaalsContact O-CB 3.3Å; G389-T397 WeakPolarHBondContact O-CB 3.03Å; G389-T397 PolarHBondContact O-OG1 3.27Å; Y394-T397 PolarHBondContact O-N 3.49Å; Y394-T397 VanDerWaalsContact O-N 3.08Å; Y394-T397 PolarHBondContact O-OG1 3.39Å; I395-T397 VanDerWaalsContact C-N 3.26Å; I395-T397 PolarHBondContact O-N 3.2Å; T397-W399 VanDerWaalsContact C-N 3.26Å; T397-W399 PolarHBondContact O-N 2.96Å; T397-W399 VanDerWaalsContact O-N 3.11Å; T397-T400 VanDerWaalsContact O-CB 3.31Å; T397-T400 WeakPolarHBondContact O-CB 3.5Å; T397-T400 WeakPolarHBondContact O-CG2 3.39Å; T397-T400 PolarHBondContact O-N 2.94Å; T397-T400 PolarHBondContact O-OG1 2.87Å; T397-Y677 HydrophobicContact CG2-CD2 4.15Å; T397-Y677 HydrophobicContact CG2-CE2 3.84Å |
| 398 | F | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -52 | -39.4 | -175.5 | 176.4 | -106.4 | 0 | 0 | 0 | 114.2 | G389 G390 R392 Y394 T400 N401 A445 Y447 F461 V493 T495 | G389-F398 PolarHBondContact O-N 3.05Å; G390-F398 WeakPolarHBondContact O-CD2 3.43Å; R392-F398 HydrophobicContact CB-CD2 4.2Å; R392-F398 HydrophobicContact CB-CE2 4.07Å; R392-F398 HydrophobicContact CB-CZ 4.26Å; R392-F398 VanDerWaalsContact N-CD2 3.29Å; Y394-F398 WeakPolarHBondContact O-CB 3.27Å; Y394-F398 PolarHBondContact O-N 3.43Å; F398-T400 PolarHBondContact O-N 3.47Å; F398-T400 VanDerWaalsContact O-N 3.16Å; F398-N401 PolarHBondContact O-N 3.32Å; F398-N401 PolarHBondContact O-ND2 3.41Å; F398-A445 HydrophobicContact CZ-CB 4.49Å; F398-Y447 HydrophobicContact CE1-CE2 4.12Å; F398-Y447 HydrophobicContact CZ-CE2 4.09Å; F398-F461 HydrophobicContact CD1-CB 4.04Å; F398-F461 AromaticContact CD1-CD1 3.96Å; F398-F461 HydrophobicContact CD1-CD1 3.96Å; F398-F461 HydrophobicContact CD1-CD2 4.04Å; F398-F461 HydrophobicContact CD1-CE1 4.37Å; F398-F461 HydrophobicContact CD1-CE2 4.45Å; F398-F461 AromaticContact CD1-CG 3.74Å; F398-F461 HydrophobicContact CD1-CG 3.74Å; F398-F461 HydrophobicContact CE1-CB 4.28Å; F398-F461 AromaticContact CE1-CD1 3.46Å; F398-F461 HydrophobicContact CE1-CD1 3.46Å; F398-F461 VanDerWaalsContact CE1-CD1 3.46Å; F398-F461 HydrophobicContact CE1-CD2 4.31Å; F398-F461 AromaticContact CE1-CE1 3.69Å; F398-F461 HydrophobicContact CE1-CE1 3.69Å; F398-F461 AromaticContact CE1-CG 3.75Å; F398-F461 HydrophobicContact CE1-CG 3.75Å; F398-F461 HydrophobicContact CE1-CZ 4.2Å; F398-V493 HydrophobicContact CE1-CG1 4.39Å; F398-V493 HydrophobicContact CE2-CG1 4.13Å; F398-V493 HydrophobicContact CZ-CB 4.1Å; F398-V493 HydrophobicContact CZ-CG1 3.86Å; F398-T495 HydrophobicContact CD2-CG2 3.99Å; F398-T495 HydrophobicContact CE2-CG2 3.58Å |
| 399 | W | 92.1 | Very high | 93 | Very high | 27 Ų | 27 | 31.7 Ų | 31.7 | 10% | 0.102 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -15.4 | -177.5 | 68.4 | -83.1 | 0 | 0 | 0 | 113.9 | D396 T397 Q403 K458 F461 T681 | D396-W399 VanDerWaalsContact O-CD1 3.32Å; D396-W399 PolarHBondContact O-NE1 3.35Å; T397-W399 VanDerWaalsContact C-N 3.26Å; T397-W399 PolarHBondContact O-N 2.96Å; T397-W399 VanDerWaalsContact O-N 3.11Å; W399-Q403 PolarHBondContact O-NE2 3.44Å; W399-K458 HydrophobicContact CD2-CB 4.42Å; W399-K458 HydrophobicContact CG-CB 3.95Å; W399-F461 HydrophobicContact CB-CD2 3.6Å; W399-F461 HydrophobicContact CB-CE2 3.64Å; W399-T681 HydrophobicContact CH2-CG2 4.48Å |
| 400 | T | 89.8 | Confident | 92.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -16.7 | -176.3 | 70.8 | 0 | 0 | 0 | 0 | 112.6 | G389 T397 F398 Y677 | G389-T400 WeakPolarHBondContact CA-OG1 3.48Å; T397-T400 VanDerWaalsContact O-CB 3.31Å; T397-T400 WeakPolarHBondContact O-CB 3.5Å; T397-T400 WeakPolarHBondContact O-CG2 3.39Å; T397-T400 PolarHBondContact O-N 2.94Å; T397-T400 PolarHBondContact O-OG1 2.87Å; F398-T400 PolarHBondContact O-N 3.47Å; F398-T400 VanDerWaalsContact O-N 3.16Å; T400-Y677 HydrophobicContact CG2-CD1 3.32Å; T400-Y677 HydrophobicContact CG2-CE1 3.76Å; T400-Y677 HydrophobicContact CG2-CG 4.13Å; T400-Y677 WeakPolarHBondContact OG1-CE1 3.49Å |
| 401 | N | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -56.8 | 153.1 | 172.8 | -68.4 | -77.1 | 0 | 0 | 0 | 110.8 | T387 G389 G390 F398 V493 T495 | T387-N401 WeakPolarHBondContact O-CA 3.5Å; T387-N401 PolarHBondContact O-OD1 3.36Å; T387-N401 VanDerWaalsContact O-OD1 3.13Å; G389-N401 WeakPolarHBondContact CA-ND2 3.46Å; G389-N401 PolarHBondContact N-OD1 2.8Å; G390-N401 PolarHBondContact O-ND2 3.12Å; F398-N401 PolarHBondContact O-N 3.32Å; F398-N401 PolarHBondContact O-ND2 3.41Å; N401-V493 HydrophobicContact CB-CG1 3.84Å; N401-T495 HydrophobicContact CB-CG2 3.97Å; N401-T495 VanDerWaalsContact CG-CG2 3.45Å; N401-T495 VanDerWaalsContact ND2-CG2 3.33Å; N401-T495 WeakPolarHBondContact ND2-CG2 3.46Å |
| 402 | P | 93.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | trans | -55.6 | 147.2 | 173.7 | -26.3 | 38.9 | 0 | 0 | 0 | 111.2 | T387 F404 P494 F505 | T387-P402 HydrophobicContact CG2-CG 4.44Å; P402-F404 HydrophobicContact CB-CE2 3.89Å; P402-F404 HydrophobicContact CB-CZ 4.2Å; P402-P494 WeakPolarHBondContact O-CD 3.33Å; P402-F505 HydrophobicContact CB-CZ 3.91Å; P402-F505 HydrophobicContact CG-CE1 3.93Å; P402-F505 HydrophobicContact CG-CZ 3.79Å | ||
| 403 | Q | 94.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | trans | -130.3 | 137.2 | -172.9 | -73.1 | 176.9 | 25.4 | 0 | 0 | 109.3 | W399 Q455 V456 L491 V493 M520 | W399-Q403 PolarHBondContact O-NE2 3.44Å; Q403-Q455 VanDerWaalsContact OE1-CG 3.31Å; Q403-V456 PolarHBondContact NE2-O 3.24Å; Q403-L491 HydrophobicContact CB-CD1 3.98Å; Q403-L491 HydrophobicContact CG-CD1 4.43Å; Q403-V493 HydrophobicContact CG-CG2 4.3Å; Q403-M520 HydrophobicContact CB-CB 3.72Å; Q403-M520 HydrophobicContact CB-CG 3.95Å; Q403-M520 WeakPolarHBondContact O-CB 3.44Å; Q403-M520 VanDerWaalsContact O-CG 3.3Å; Q403-M520 WeakPolarHBondContact O-CG 3.35Å; Q403-M520 PolarHBondContact O-N 3.2Å | ||
| 404 | F | 94.8 | Very high | 89 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 125.2 | -178.3 | -58.2 | -90.4 | 0 | 0 | 0 | 110 | F378 P402 L491 L492 P494 F505 I507 I518 E519 | F378-F404 HydrophobicContact CB-CD1 4.01Å; F378-F404 HydrophobicContact CB-CE1 3.45Å; F378-F404 VanDerWaalsContact CB-CE1 3.45Å; F378-F404 HydrophobicContact CB-CZ 4.06Å; F378-F404 AromaticContact CD1-CD1 3.73Å; F378-F404 HydrophobicContact CD1-CD1 3.73Å; F378-F404 AromaticContact CD1-CE1 3.69Å; F378-F404 HydrophobicContact CD1-CE1 3.69Å; F378-F404 AromaticContact CD2-CD1 3.94Å; F378-F404 HydrophobicContact CD2-CD1 3.94Å; F378-F404 HydrophobicContact CD2-CE1 4.27Å; F378-F404 HydrophobicContact CE1-CD1 4.23Å; F378-F404 HydrophobicContact CE2-CD1 4.42Å; F378-F404 AromaticContact CG-CD1 3.59Å; F378-F404 HydrophobicContact CG-CD1 3.59Å; F378-F404 AromaticContact CG-CE1 3.52Å; F378-F404 HydrophobicContact CG-CE1 3.52Å; P402-F404 HydrophobicContact CB-CE2 3.89Å; P402-F404 HydrophobicContact CB-CZ 4.2Å; F404-L491 CarbonylContact O-C 3.59Å; F404-L491 WeakPolarHBondContact O-CA 3.47Å; F404-L492 HydrophobicContact CB-CB 4.29Å; F404-L492 PolarHBondContact N-O 2.6Å; F404-L492 PolarHBondContact O-N 3.39Å; F404-P494 HydrophobicContact CD2-CG 4.3Å; F404-P494 HydrophobicContact CE2-CG 3.83Å; F404-F505 HydrophobicContact CE2-CE2 4.18Å; F404-F505 HydrophobicContact CE2-CZ 4.3Å; F404-F505 HydrophobicContact CZ-CE2 4.18Å; F404-F505 HydrophobicContact CZ-CZ 4.37Å; F404-I507 HydrophobicContact CD2-CD1 3.64Å; F404-I507 HydrophobicContact CE2-CD1 3.47Å; F404-I507 VanDerWaalsContact CE2-CD1 3.47Å; F404-I507 HydrophobicContact CG-CD1 4.38Å; F404-I507 HydrophobicContact CZ-CD1 4.07Å; F404-I518 CarbonylContact C-O 3.24Å; F404-I518 WeakPolarHBondContact CA-O 3.39Å; F404-E519 HydrophobicContact CD1-CB 4Å; F404-E519 HydrophobicContact CD1-CG 4.2Å; F404-E519 HydrophobicContact CE1-CB 3.87Å; F404-E519 HydrophobicContact CE1-CG 3.75Å; F404-E519 HydrophobicContact CZ-CG 4.36Å |
| 405 | R | 94.3 | Very high | 87.9 | Confident | 40 Ų | 40 | 39.8 Ų | 39.8 | 15% | 0.151 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 123.1 | 176.2 | -169 | -172.5 | -58.8 | 113.8 | -13.9 | 109.1 | A449 E453 Y490 A517 I518 M520 | R405-A449 HydrophobicContact CG-CB 4.16Å; R405-E453 PolarHBondContact NH2-O 2.88Å; R405-Y490 CarbonylContact C-O 3.52Å; R405-Y490 WeakPolarHBondContact CA-O 3.34Å; R405-A517 CarbonylContact O-C 3.4Å; R405-A517 VanDerWaalsContact O-CA 3.25Å; R405-A517 WeakPolarHBondContact O-CA 3.33Å; R405-I518 HydrophobicContact CB-CG1 4.1Å; R405-I518 PolarHBondContact N-O 2.9Å; R405-I518 PolarHBondContact O-N 2.83Å; R405-M520 HydrophobicContact CB-CG 4.2Å; R405-M520 HydrophobicContact CB-SD 3.54Å; R405-M520 VanDerWaalsContact CB-SD 3.54Å; R405-M520 HydrophobicContact CG-SD 4.46Å; R405-M520 VanDerWaalsContact CZ-CE 3.43Å; R405-M520 PolarHBondContact NH1-SD 2.86Å; R405-M520 PolarHBondContact NH2-SD 3.1Å |
| 406 | L | 94.4 | Very high | 87.4 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.2 | 177.6 | 174.9 | 66.3 | 0 | 0 | 0 | 109.4 | L408 V420 K489 Y490 I509 A515 E516 A517 | L406-L408 HydrophobicContact CD1-CD2 4.08Å; L406-L408 HydrophobicContact CD2-CD2 4.08Å; L406-L408 HydrophobicContact CD2-CG 4.37Å; L406-L408 HydrophobicContact CG-CD2 3.99Å; L406-L408 HydrophobicContact CG-CG 4.25Å; L406-V420 HydrophobicContact CD2-CG1 4.27Å; L406-K489 CarbonylContact O-C 3.53Å; L406-K489 WeakPolarHBondContact O-CA 3.45Å; L406-Y490 PolarHBondContact N-O 3.31Å; L406-Y490 PolarHBondContact O-N 3.27Å; L406-I509 HydrophobicContact CD1-CD1 4.42Å; L406-I509 HydrophobicContact CD1-CG2 4.13Å; L406-I509 HydrophobicContact CD2-CG2 4.24Å; L406-A515 HydrophobicContact CD1-CB 3.97Å; L406-E516 CarbonylContact C-O 3.41Å; L406-A517 HydrophobicContact CD1-CB 4.07Å |
| 407 | Q | 93.9 | Very high | 87.3 | Confident | 47 Ų | 47 | 43.3 Ų | 43.3 | 22% | 0.22 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 112.5 | 175.3 | 176.3 | 74.6 | 73.9 | 0 | 0 | 109.2 | K409 G488 A515 E516 | Q407-K409 HydrophobicContact CG-CG 3.95Å; Q407-G488 PolarHBondContact NE2-O 2.75Å; Q407-A515 WeakPolarHBondContact O-CA 3.2Å; Q407-E516 HydrophobicContact CB-CB 4.29Å; Q407-E516 PolarHBondContact N-O 2.79Å; Q407-E516 PolarHBondContact O-N 2.74Å; Q407-E516 VanDerWaalsContact O-N 3.09Å |
| 408 | L | 91.9 | Very high | 87.1 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 119.3 | 171.2 | -55.6 | 178.9 | 0 | 0 | 0 | 108 | L406 C418 V420 L485 G488 Y490 A515 | L406-L408 HydrophobicContact CD1-CD2 4.08Å; L406-L408 HydrophobicContact CD2-CD2 4.08Å; L406-L408 HydrophobicContact CD2-CG 4.37Å; L406-L408 HydrophobicContact CG-CD2 3.99Å; L406-L408 HydrophobicContact CG-CG 4.25Å; L408-C418 HydrophobicContact CB-CB 4.24Å; L408-C418 HydrophobicContact CD1-CB 3.82Å; L408-C418 HydrophobicContact CG-CB 4.42Å; L408-V420 HydrophobicContact CD1-CG2 3.7Å; L408-V420 HydrophobicContact CD2-CG2 3.72Å; L408-V420 HydrophobicContact CG-CG2 4.38Å; L408-L485 HydrophobicContact CD1-CB 3.9Å; L408-L485 HydrophobicContact CD1-CD1 4.25Å; L408-G488 PolarHBondContact N-O 3.39Å; L408-G488 PolarHBondContact O-N 2.83Å; L408-Y490 HydrophobicContact CD1-CD2 3.89Å; L408-Y490 HydrophobicContact CD1-CE2 3.68Å; L408-Y490 HydrophobicContact CG-CD2 4.14Å; L408-Y490 HydrophobicContact CG-CE2 4.2Å; L408-A515 HydrophobicContact CD2-CB 3.7Å |
| 409 | K | 87 | Confident | 86.6 | Confident | 100 Ų | 100 | 43.3 Ų | 43.3 | 44% | 0.435 | 23% | 0.228 | S | C | . | . | trans | -99.8 | -53 | -175 | -67.2 | -176.6 | -179.3 | 173.5 | 0 | 112.2 | Q407 E516 | Q407-K409 HydrophobicContact CG-CG 3.95Å; K409-E516 WeakPolarHBondContact CE-OE2 3.08Å; K409-E516 IonicContact NZ-OE1 3.01Å; K409-E516 PolarHBondContact NZ-OE1 2.86Å; K409-E516 IonicContact NZ-OE2 2.74Å; K409-E516 PolarHBondContact NZ-OE2 2.92Å | ||
| 410 | D | 84.5 | Confident | 86.4 | Confident | 96 Ų | 96 | 42 Ų | 42 | 51% | 0.513 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -110.8 | 135.5 | -172.1 | -55 | -48.1 | 0 | 0 | 0 | 110.3 | C418 K513 | D410-C418 PolarHBondContact O-SG 3.37Å; D410-K513 HydrophobicContact CB-CB 4.14Å; D410-K513 HydrophobicContact CB-CG 4.24Å |
| 411 | A | 82.9 | Confident | 86.4 | Confident | 30 Ų | 30 | 42.1 Ų | 42.1 | 25% | 0.248 | 22% | 0.224 | C | C | . | . | trans | -71.9 | 161.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D415 P487 | A411-D415 WeakPolarHBondContact CB-O 3.44Å; A411-P487 HydrophobicContact CB-CG 4.25Å | ||
| 412 | D | 77.1 | Confident | 86.4 | Confident | 11 Ų | 11 | 42.2 Ų | 42.2 | 6% | 0.059 | 22% | 0.224 | C | C | . | . | trans | -68.8 | 157.5 | 179.6 | -59.9 | -22.1 | 0 | 0 | 0 | 111 | D414 D415 V417 S419 | D412-D414 PolarHBondContact O-N 3.21Å; D412-D414 VanDerWaalsContact O-N 3.11Å; D412-D415 PolarHBondContact O-N 3.19Å; D412-V417 PolarHBondContact N-O 2.64Å; D412-S419 PolarHBondContact OD1-N 2.8Å; D412-S419 WeakPolarHBondContact OD2-CA 3.09Å; D412-S419 WeakPolarHBondContact OD2-CB 3.3Å; D412-S419 PolarHBondContact OD2-N 3.39Å; D412-S419 PolarHBondContact OD2-OG 2.88Å | ||
| 413 | D | 74.8 | Confident | 86.4 | Confident | 113 Ų | 113 | 42 Ų | 42 | 60% | 0.604 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -24.2 | -171.6 | -69.7 | -41.4 | 0 | 0 | 0 | 113.9 | K513 | D413-K513 WeakPolarHBondContact OD1-CE 3.43Å; D413-K513 IonicContact OD1-NZ 2.74Å; D413-K513 PolarHBondContact OD1-NZ 3.43Å; D413-K513 IonicContact OD2-NZ 2.83Å; D413-K513 PolarHBondContact OD2-NZ 2.92Å |
| 414 | D | 71.1 | Confident | 86.4 | Confident | 115 Ų | 115 | 42 Ų | 42 | 62% | 0.615 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -10.5 | -173.4 | -61.2 | -54.9 | 0 | 0 | 0 | 112.9 | R371 D412 | R371-D414 IonicContact CZ-OD2 2.79Å; R371-D414 IonicContact NH1-OD2 2.74Å; R371-D414 PolarHBondContact NH1-OD2 2.88Å; R371-D414 IonicContact NH2-OD2 3.6Å; R371-D414 PolarHBondContact NH2-OD2 2.81Å; D412-D414 PolarHBondContact O-N 3.21Å; D412-D414 VanDerWaalsContact O-N 3.11Å |
| 415 | D | 70.4 | Confident | 86.4 | Confident | 96 Ų | 96 | 42.2 Ų | 42.2 | 51% | 0.513 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -146 | 149.6 | -170.7 | -69.3 | -49.1 | 0 | 0 | 0 | 112.7 | A411 D412 V417 | A411-D415 WeakPolarHBondContact CB-O 3.44Å; D412-D415 PolarHBondContact O-N 3.19Å; D415-V417 HydrophobicContact CB-CG2 3.8Å; D415-V417 PolarHBondContact O-N 2.87Å |
| 416 | D | 82 | Confident | 86.4 | Confident | 156 Ų | 156 | 40.4 Ų | 40.4 | 83% | 0.834 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -75.6 | 21 | 174.7 | -70.8 | -39.6 | 0 | 0 | 0 | 113.8 | ||
| 417 | V | 85.8 | Confident | 86.3 | Confident | 44 Ų | 44 | 41.6 Ų | 41.6 | 27% | 0.267 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -130.4 | 159.4 | -178.4 | -66.6 | 0 | 0 | 0 | 0 | 110.9 | D412 D415 T484 | D412-V417 PolarHBondContact N-O 2.64Å; D415-V417 HydrophobicContact CB-CG2 3.8Å; D415-V417 PolarHBondContact O-N 2.87Å; V417-T484 HydrophobicContact CG2-CG2 4.15Å |
| 418 | C | 85.3 | Confident | 86.1 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.034 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 125.6 | 174.5 | -53.9 | 0 | 0 | 0 | 0 | 109.8 | L408 D410 T484 L485 | L408-C418 HydrophobicContact CB-CB 4.24Å; L408-C418 HydrophobicContact CD1-CB 3.82Å; L408-C418 HydrophobicContact CG-CB 4.42Å; D410-C418 PolarHBondContact O-SG 3.37Å; C418-T484 WeakPolarHBondContact O-CA 3.23Å; C418-L485 WeakPolarHBondContact CB-O 3.29Å; C418-L485 PolarHBondContact N-O 3.46Å; C418-L485 PolarHBondContact O-N 3.23Å |
| 419 | S | 83.9 | Confident | 86 | Confident | 19 Ų | 19 | 42.6 Ų | 42.6 | 13% | 0.133 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 121.5 | 171.7 | -65.3 | 0 | 0 | 0 | 0 | 110.9 | D412 E512 | D412-S419 PolarHBondContact OD1-N 2.8Å; D412-S419 WeakPolarHBondContact OD2-CA 3.09Å; D412-S419 WeakPolarHBondContact OD2-CB 3.3Å; D412-S419 PolarHBondContact OD2-N 3.39Å; D412-S419 PolarHBondContact OD2-OG 2.88Å; S419-E512 PolarHBondContact O-N 2.85Å |
| 420 | V | 88.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 134 | -180 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | L406 L408 I422 R482 F483 I509 F510 | L406-V420 HydrophobicContact CD2-CG1 4.27Å; L408-V420 HydrophobicContact CD1-CG2 3.7Å; L408-V420 HydrophobicContact CD2-CG2 3.72Å; L408-V420 HydrophobicContact CG-CG2 4.38Å; V420-I422 HydrophobicContact CG1-CD1 4.47Å; V420-I422 HydrophobicContact CG1-CG1 3.98Å; V420-R482 WeakPolarHBondContact O-CA 3.44Å; V420-F483 PolarHBondContact N-O 2.8Å; V420-F483 PolarHBondContact O-N 2.81Å; V420-I509 HydrophobicContact CG1-CG2 3.62Å; V420-F510 CarbonylContact C-O 3.6Å; V420-F510 VanDerWaalsContact CA-O 3.28Å; V420-F510 WeakPolarHBondContact CA-O 3.4Å |
| 421 | V | 89.6 | Confident | 86.3 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 125 | 167.3 | -174.3 | 0 | 0 | 0 | 0 | 108.3 | V199 E481 R482 I509 F510 | V199-V421 HydrophobicContact CG2-CG1 4.15Å; V421-E481 WeakPolarHBondContact CA-O 3.2Å; V421-R482 HydrophobicContact CG2-CB 4.22Å; V421-R482 HydrophobicContact CG2-CG 4.19Å; V421-I509 WeakPolarHBondContact O-CA 3.47Å; V421-F510 HydrophobicContact CB-CB 4.13Å; V421-F510 HydrophobicContact CB-CD2 4.28Å; V421-F510 PolarHBondContact N-O 3.17Å; V421-F510 PolarHBondContact O-N 2.97Å |
| 422 | I | 93.4 | Very high | 86.5 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 124.2 | 176.2 | -62.4 | 167 | 0 | 0 | 0 | 107.4 | V420 F444 V446 S480 E481 F483 L492 I509 | V420-I422 HydrophobicContact CG1-CD1 4.47Å; V420-I422 HydrophobicContact CG1-CG1 3.98Å; I422-F444 HydrophobicContact CB-CE1 4.46Å; I422-F444 HydrophobicContact CB-CE2 3.9Å; I422-F444 HydrophobicContact CB-CZ 3.75Å; I422-F444 HydrophobicContact CD1-CE2 4.25Å; I422-F444 HydrophobicContact CG2-CD1 4.34Å; I422-F444 HydrophobicContact CG2-CD2 4.11Å; I422-F444 HydrophobicContact CG2-CE1 3.99Å; I422-F444 HydrophobicContact CG2-CE2 3.75Å; I422-F444 HydrophobicContact CG2-CG 4.4Å; I422-F444 HydrophobicContact CG2-CZ 3.67Å; I422-V446 HydrophobicContact CD1-CG2 3.77Å; I422-S480 CarbonylContact O-C 3.49Å; I422-S480 VanDerWaalsContact O-CA 3.24Å; I422-S480 WeakPolarHBondContact O-CA 3.41Å; I422-E481 PolarHBondContact N-O 2.72Å; I422-E481 PolarHBondContact O-N 3.12Å; I422-F483 HydrophobicContact CB-CE2 4.39Å; I422-F483 HydrophobicContact CD1-CD2 4.07Å; I422-F483 HydrophobicContact CD1-CE2 4.06Å; I422-F483 HydrophobicContact CG1-CD2 4.5Å; I422-F483 HydrophobicContact CG1-CE2 4.5Å; I422-L492 HydrophobicContact CD1-CD1 4.26Å; I422-L492 HydrophobicContact CD1-CD2 4.45Å; I422-L492 HydrophobicContact CG2-CD1 4.05Å; I422-L492 HydrophobicContact CG2-CD2 3.78Å; I422-I509 HydrophobicContact CG1-CG2 4.32Å |
| 423 | A | 93.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 122.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | V199 E478 I507 R508 F510 | V199-A423 HydrophobicContact CG2-CB 3.93Å; A423-E478 HydrophobicContact CB-CG 4.23Å; A423-E478 WeakPolarHBondContact CB-OE1 3.37Å; A423-I507 CarbonylContact O-C 3.57Å; A423-I507 VanDerWaalsContact O-CA 3.31Å; A423-I507 WeakPolarHBondContact O-CA 3.24Å; A423-R508 HydrophobicContact CB-CB 4.34Å; A423-R508 PolarHBondContact N-O 3.07Å; A423-R508 PolarHBondContact O-N 3.11Å; A423-F510 HydrophobicContact CB-CE2 4.47Å |
| 424 | L | 95.8 | Very high | 87.5 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 113.4 | 177.2 | 173.9 | 64.2 | 0 | 0 | 0 | 109.3 | W382 I442 G443 F444 E478 V479 P494 F505 I507 | W382-L424 HydrophobicContact CH2-CD1 4.09Å; W382-L424 HydrophobicContact CH2-CD2 4.08Å; W382-L424 HydrophobicContact CH2-CG 4.36Å; W382-L424 HydrophobicContact CZ2-CD1 4.31Å; W382-L424 HydrophobicContact CZ2-CD2 4.16Å; L424-I442 HydrophobicContact CD2-CB 4.37Å; L424-I442 HydrophobicContact CG-CD1 4.32Å; L424-G443 VanDerWaalsContact CD2-O 3.32Å; L424-G443 WeakPolarHBondContact CD2-O 3.45Å; L424-F444 HydrophobicContact CB-CD1 3.92Å; L424-F444 HydrophobicContact CB-CE1 4.45Å; L424-F444 HydrophobicContact CD2-CB 4.3Å; L424-F444 HydrophobicContact CD2-CD1 4.29Å; L424-E478 CarbonylContact O-C 3.48Å; L424-E478 VanDerWaalsContact O-CA 3.31Å; L424-E478 WeakPolarHBondContact O-CA 3.46Å; L424-V479 PolarHBondContact N-O 2.74Å; L424-V479 PolarHBondContact O-N 3.33Å; L424-P494 HydrophobicContact CD1-CB 3.66Å; L424-P494 HydrophobicContact CD2-CB 3.8Å; L424-P494 HydrophobicContact CG-CB 4.37Å; L424-F505 HydrophobicContact CD1-CB 3.96Å; L424-F505 HydrophobicContact CD1-CD2 3.79Å; L424-F505 HydrophobicContact CD1-CG 4.02Å; L424-I507 HydrophobicContact CD1-CD1 4.47Å; L424-I507 HydrophobicContact CD1-CG1 3.74Å |
| 425 | M | 94.3 | Very high | 88.3 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.02 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 134.9 | -179.3 | 178.4 | -176.3 | -70.1 | 0 | 0 | 111.2 | W132 E193 R477 E478 F505 L506 | W132-M425 HydrophobicContact CZ3-CE 4.05Å; E193-M425 VanDerWaalsContact OE2-CE 3.3Å; E193-M425 WeakPolarHBondContact OE2-CE 3.3Å; M425-R477 CarbonylContact C-O 3.5Å; M425-R477 VanDerWaalsContact CA-O 3.26Å; M425-R477 WeakPolarHBondContact CA-O 3.39Å; M425-R477 HydrophobicContact CG-CG 4.15Å; M425-E478 HydrophobicContact CB-CB 4.15Å; M425-E478 HydrophobicContact CB-CG 4.23Å; M425-E478 HydrophobicContact CE-CB 4.32Å; M425-E478 VanDerWaalsContact CE-OE2 3.28Å; M425-E478 WeakPolarHBondContact CE-OE2 3.48Å; M425-E478 HydrophobicContact CG-CB 4.44Å; M425-F505 CarbonylContact O-C 3.58Å; M425-F505 WeakPolarHBondContact O-CA 3.25Å; M425-F505 VanDerWaalsContact O-CB 3.29Å; M425-F505 WeakPolarHBondContact O-CB 3.16Å; M425-L506 HydrophobicContact CB-CB 4.35Å; M425-L506 PolarHBondContact N-O 3.5Å; M425-L506 PolarHBondContact O-N 2.81Å |
| 426 | Q | 94.4 | Very high | 89 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 136.7 | 167.4 | 58.1 | -175.6 | -52.4 | 0 | 0 | 111.2 | R429 L439 E440 I442 M476 R477 D504 | Q426-R429 HydrophobicContact CB-CG 4.27Å; Q426-R429 HydrophobicContact CG-CG 3.89Å; Q426-L439 HydrophobicContact CG-CD2 3.97Å; Q426-E440 PolarHBondContact NE2-O 3.41Å; Q426-I442 HydrophobicContact CB-CD1 4.3Å; Q426-I442 HydrophobicContact CG-CD1 4.14Å; Q426-M476 PolarHBondContact NE2-O 2.71Å; Q426-R477 WeakPolarHBondContact CG-O 3.37Å; Q426-R477 PolarHBondContact N-O 2.93Å; Q426-D504 CarbonylContact C-O 3.31Å; Q426-D504 WeakPolarHBondContact CA-O 3.49Å |
| 427 | K | 92.8 | Very high | 89.2 | Confident | 27 Ų | 27 | 36.1 Ų | 36.1 | 12% | 0.117 | 19% | 0.192 | C | C | . | . | trans | -94.2 | 147.6 | -167.8 | -58 | 177.5 | 56.3 | -172 | 0 | 112.2 | H134 E379 R429 D504 L506 | H134-K427 VanDerWaalsContact CD2-CE 3.48Å; H134-K427 WeakPolarHBondContact CD2-CE 3.35Å; H134-K427 VanDerWaalsContact CD2-CG 3.46Å; H134-K427 WeakPolarHBondContact CD2-CG 3.32Å; H134-K427 WeakPolarHBondContact NE2-CB 3.45Å; E379-K427 IonicContact OE2-NZ 2.6Å; E379-K427 PolarHBondContact OE2-NZ 2.76Å; K427-R429 PolarHBondContact O-N 3.36Å; K427-D504 HydrophobicContact CB-CB 3.97Å; K427-D504 HydrophobicContact CD-CB 4.08Å; K427-D504 HydrophobicContact CG-CB 4.32Å; K427-D504 PolarHBondContact N-O 2.94Å; K427-L506 HydrophobicContact CD-CB 4.47Å | ||
| 428 | N | 88.7 | Confident | 89.2 | Confident | 59 Ų | 59 | 37.7 Ų | 37.7 | 32% | 0.316 | 20% | 0.198 | S | C | . | . | S | Bend | trans | 55.8 | 9.3 | 168.1 | -62.4 | -57.6 | 0 | 0 | 0 | 118.5 | H134 R430 K431 | H134-N428 PolarHBondContact CE1-OD1 3.1Å; H134-N428 VanDerWaalsContact CE1-OD1 3.23Å; N428-R430 VanDerWaalsContact C-N 3.3Å; N428-R430 PolarHBondContact O-N 3.25Å; N428-R430 VanDerWaalsContact O-N 3.17Å; N428-K431 WeakPolarHBondContact O-CB 2.94Å; N428-K431 PolarHBondContact O-N 3.22Å |
| 429 | R | 90 | Very high | 89.4 | Confident | 13 Ų | 13 | 39.2 Ų | 39.2 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.7 | -35.1 | -171.1 | -60.5 | -59 | -64.9 | -163.7 | -8.1 | 114.3 | Q426 K427 K431 L432 R433 D438 L439 E440 E502 | Q426-R429 HydrophobicContact CB-CG 4.27Å; Q426-R429 HydrophobicContact CG-CG 3.89Å; K427-R429 PolarHBondContact O-N 3.36Å; R429-K431 VanDerWaalsContact C-N 3.3Å; R429-K431 PolarHBondContact O-N 3.29Å; R429-L432 PolarHBondContact O-N 3.36Å; R429-R433 PolarHBondContact O-N 2.92Å; R429-D438 PolarHBondContact NE-O 3.46Å; R429-D438 PolarHBondContact NH2-O 3.46Å; R429-L439 HydrophobicContact CB-CD2 3.78Å; R429-L439 HydrophobicContact CG-CD2 3.99Å; R429-E440 IonicContact CZ-OE1 3.56Å; R429-E440 IonicContact NH2-OE1 2.66Å; R429-E440 PolarHBondContact NH2-OE1 3.24Å; R429-E502 PolarHBondContact NH1-O 3.49Å |
| 430 | R | 89.1 | Confident | 89.9 | Confident | 11 Ų | 11 | 39.8 Ų | 39.8 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.3 | -37 | 176.3 | -72.5 | -172.4 | 177.8 | -76.2 | -8 | 113.6 | W94 N177 S182 G185 E190 N428 L432 R433 | W94-R430 VanDerWaalsContact CZ2-CZ 3.42Å; W94-R430 VanDerWaalsContact CZ2-NH2 3.34Å; N177-R430 HydrophobicContact CB-CB 4.19Å; N177-R430 WeakPolarHBondContact OD1-CB 3.34Å; N177-R430 VanDerWaalsContact OD1-CD 3.27Å; N177-R430 WeakPolarHBondContact OD1-CD 3.28Å; S182-R430 PolarHBondContact O-NH1 3.44Å; G185-R430 VanDerWaalsContact O-CZ 3.3Å; G185-R430 PolarHBondContact O-NH1 3.07Å; G185-R430 PolarHBondContact O-NH2 3.44Å; E190-R430 WeakPolarHBondContact OE1-CD 3.32Å; E190-R430 IonicContact OE1-CZ 3.24Å; E190-R430 IonicContact OE1-NE 2.92Å; E190-R430 PolarHBondContact OE1-NE 2.93Å; E190-R430 IonicContact OE1-NH2 3.04Å; E190-R430 IonicContact OE2-CZ 3.67Å; E190-R430 IonicContact OE2-NE 3.49Å; E190-R430 PolarHBondContact OE2-NE 3.27Å; E190-R430 IonicContact OE2-NH2 3.23Å; E190-R430 PolarHBondContact OE2-NH2 2.8Å; N428-R430 VanDerWaalsContact C-N 3.3Å; N428-R430 PolarHBondContact O-N 3.25Å; N428-R430 VanDerWaalsContact O-N 3.17Å; R430-L432 VanDerWaalsContact C-N 3.26Å; R430-L432 PolarHBondContact O-N 2.87Å; R430-R433 WeakPolarHBondContact O-CB 3.49Å; R430-R433 PolarHBondContact O-N 2.93Å |
| 431 | K | 88.1 | Confident | 90.2 | Very high | 83 Ų | 83 | 42.2 Ų | 42.2 | 36% | 0.361 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.2 | -29.8 | 177.2 | -68.5 | -179.5 | -180 | 174.7 | 0 | 112.5 | V176 N177 N428 R429 R433 K434 | V176-K431 WeakPolarHBondContact O-CE 3Å; V176-K431 PolarHBondContact O-NZ 3.01Å; N177-K431 WeakPolarHBondContact O-CA 3.44Å; N428-K431 WeakPolarHBondContact O-CB 2.94Å; N428-K431 PolarHBondContact O-N 3.22Å; R429-K431 VanDerWaalsContact C-N 3.3Å; R429-K431 PolarHBondContact O-N 3.29Å; K431-R433 VanDerWaalsContact C-N 3.31Å; K431-K434 WeakPolarHBondContact O-CE 3.48Å; K431-K434 WeakPolarHBondContact O-CG 3.36Å |
| 432 | L | 89 | Confident | 90.6 | Very high | 45 Ų | 45 | 42.1 Ų | 42.1 | 24% | 0.236 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -84.2 | -5.7 | -176.5 | -56.7 | 175.9 | 0 | 0 | 0 | 112.7 | R429 R430 K434 E435 G436 L437 | R429-L432 PolarHBondContact O-N 3.36Å; R430-L432 VanDerWaalsContact C-N 3.26Å; R430-L432 PolarHBondContact O-N 2.87Å; L432-K434 PolarHBondContact O-N 2.79Å; L432-E435 CarbonylContact O-C 3.53Å; L432-E435 WeakPolarHBondContact O-CA 3.39Å; L432-E435 WeakPolarHBondContact O-CB 3.08Å; L432-E435 PolarHBondContact O-N 2.99Å; L432-G436 PolarHBondContact O-N 3.08Å; L432-L437 CarbonylContact C-O 3.53Å; L432-L437 VanDerWaalsContact C-O 3.31Å; L432-L437 HydrophobicContact CB-CB 3.87Å; L432-L437 HydrophobicContact CB-CD1 4.3Å; L432-L437 HydrophobicContact CD1-CD1 4.4Å; L432-L437 PolarHBondContact O-N 2.94Å; L432-L437 VanDerWaalsContact O-N 3.17Å |
| 433 | R | 87.9 | Confident | 90.8 | Very high | 45 Ų | 45 | 42 Ų | 42 | 17% | 0.17 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -60 | -32.1 | 175.5 | -73.6 | -178.1 | 169.6 | -177.5 | -6.3 | 113.5 | F53 S182 K184 R429 R430 K431 E435 G436 L437 D438 | F53-R433 HydrophobicContact CE1-CB 4.22Å; F53-R433 HydrophobicContact CE2-CB 4.23Å; F53-R433 HydrophobicContact CZ-CB 3.7Å; S182-R433 PolarHBondContact O-NH1 2.91Å; K184-R433 PolarHBondContact O-NH1 2.99Å; R429-R433 PolarHBondContact O-N 2.92Å; R430-R433 WeakPolarHBondContact O-CB 3.49Å; R430-R433 PolarHBondContact O-N 2.93Å; K431-R433 VanDerWaalsContact C-N 3.31Å; R433-E435 PolarHBondContact O-N 2.9Å; R433-G436 PolarHBondContact O-N 2.78Å; R433-L437 WeakPolarHBondContact CA-O 3.43Å; R433-L437 PolarHBondContact N-O 2.84Å; R433-D438 IonicContact CZ-OD1 2.68Å; R433-D438 IonicContact NE-OD1 2.79Å; R433-D438 PolarHBondContact NE-OD1 2.85Å; R433-D438 IonicContact NH2-OD1 2.81Å; R433-D438 PolarHBondContact NH2-OD1 2.84Å; R433-D438 IonicContact NH2-OD2 2.83Å |
| 434 | K | 84.9 | Confident | 91 | Very high | 135 Ų | 135 | 42.1 Ų | 42.1 | 59% | 0.587 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -62.4 | -21.3 | 172.5 | 75.5 | -171.9 | 177.9 | 169.3 | 0 | 113.1 | F53 K431 L432 | F53-K434 HydrophobicContact CB-CB 3.68Å; F53-K434 HydrophobicContact CD1-CB 4.29Å; F53-K434 HydrophobicContact CD2-CB 4.14Å; F53-K434 HydrophobicContact CG-CB 3.79Å; K431-K434 WeakPolarHBondContact O-CE 3.48Å; K431-K434 WeakPolarHBondContact O-CG 3.36Å; L432-K434 PolarHBondContact O-N 2.79Å |
| 435 | E | 87.2 | Confident | 91.1 | Very high | 119 Ų | 119 | 42.3 Ų | 42.3 | 56% | 0.556 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -98.1 | 5.4 | 176.4 | -63.3 | 164.2 | -145.4 | 0 | 0 | 111.4 | L432 R433 L437 | L432-E435 CarbonylContact O-C 3.53Å; L432-E435 WeakPolarHBondContact O-CA 3.39Å; L432-E435 WeakPolarHBondContact O-CB 3.08Å; L432-E435 PolarHBondContact O-N 2.99Å; R433-E435 PolarHBondContact O-N 2.9Å; E435-L437 VanDerWaalsContact C-N 3.35Å |
| 436 | G | 84.6 | Confident | 91.2 | Very high | 69 Ų | 69 | 42.2 Ų | 42.2 | 71% | 0.711 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 9.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L432 R433 | L432-G436 PolarHBondContact O-N 3.08Å; R433-G436 PolarHBondContact O-N 2.78Å |
| 437 | L | 86.1 | Confident | 91.3 | Very high | 75 Ų | 75 | 42.3 Ų | 42.3 | 39% | 0.393 | 22% | 0.223 | S | C | . | . | trans | -99.6 | 118.2 | 180 | -57.9 | 174.3 | 0 | 0 | 0 | 110.4 | L432 R433 E435 | L432-L437 CarbonylContact C-O 3.53Å; L432-L437 VanDerWaalsContact C-O 3.31Å; L432-L437 HydrophobicContact CB-CB 3.87Å; L432-L437 HydrophobicContact CB-CD1 4.3Å; L432-L437 HydrophobicContact CD1-CD1 4.4Å; L432-L437 PolarHBondContact O-N 2.94Å; L432-L437 VanDerWaalsContact O-N 3.17Å; R433-L437 WeakPolarHBondContact CA-O 3.43Å; R433-L437 PolarHBondContact N-O 2.84Å; E435-L437 VanDerWaalsContact C-N 3.35Å | ||
| 438 | D | 87.2 | Confident | 91.4 | Very high | 76 Ų | 76 | 46.4 Ų | 46.4 | 41% | 0.406 | 24% | 0.242 | S | C | . | . | trans | -106.5 | -170.2 | 177.6 | -156.6 | 4.6 | 0 | 0 | 0 | 111.9 | R429 R433 E440 | R429-D438 PolarHBondContact NE-O 3.46Å; R429-D438 PolarHBondContact NH2-O 3.46Å; R433-D438 IonicContact CZ-OD1 2.68Å; R433-D438 IonicContact NE-OD1 2.79Å; R433-D438 PolarHBondContact NE-OD1 2.85Å; R433-D438 IonicContact NH2-OD1 2.81Å; R433-D438 PolarHBondContact NH2-OD1 2.84Å; R433-D438 IonicContact NH2-OD2 2.83Å; D438-E440 PolarHBondContact O-N 3.26Å | ||
| 439 | L | 89.6 | Confident | 91.6 | Very high | 38 Ų | 38 | 44.1 Ų | 44.1 | 20% | 0.199 | 23% | 0.231 | C | C | . | . | trans | -61.1 | 134.1 | 177.4 | -66.5 | 169.2 | 0 | 0 | 0 | 112.4 | Q426 R429 N475 R477 | Q426-L439 HydrophobicContact CG-CD2 3.97Å; R429-L439 HydrophobicContact CB-CD2 3.78Å; R429-L439 HydrophobicContact CG-CD2 3.99Å; L439-N475 HydrophobicContact CB-CB 4.43Å; L439-N475 WeakPolarHBondContact CD1-O 3.44Å; L439-R477 HydrophobicContact CD2-CB 4.27Å | ||
| 440 | E | 93.5 | Very high | 91.5 | Very high | 31 Ų | 31 | 45 Ų | 45 | 15% | 0.145 | 24% | 0.239 | C | C | . | . | trans | -79.6 | 149.6 | 170.5 | -62.9 | -57.5 | 159.3 | 0 | 0 | 111 | Q426 R429 D438 I442 N475 T496 H501 A503 | Q426-E440 PolarHBondContact NE2-O 3.41Å; R429-E440 IonicContact CZ-OE1 3.56Å; R429-E440 IonicContact NH2-OE1 2.66Å; R429-E440 PolarHBondContact NH2-OE1 3.24Å; D438-E440 PolarHBondContact O-N 3.26Å; E440-I442 HydrophobicContact CB-CG2 4.11Å; E440-I442 PolarHBondContact O-N 2.68Å; E440-N475 WeakPolarHBondContact O-CA 3.22Å; E440-T496 HydrophobicContact CB-CG2 4.28Å; E440-H501 IonicContact OE1-ND1 3.23Å; E440-H501 IonicContact OE2-CE1 2.94Å; E440-H501 IonicContact OE2-CG 3.88Å; E440-H501 IonicContact OE2-ND1 3.94Å; E440-H501 PolarHBondContact OE2-ND1 3.32Å; E440-A503 HydrophobicContact CG-CB 4.29Å | ||
| 441 | T | 95.5 | Very high | 91 | Very high | 50 Ų | 50 | 50.1 Ų | 50.1 | 31% | 0.307 | 27% | 0.267 | S | S | . | . | trans | -73.7 | 110.1 | 169 | -54.9 | 0 | 0 | 0 | 0 | 109 | Y473 T496 F497 | T441-Y473 VanDerWaalsContact CG2-C 3.44Å; T441-Y473 WeakPolarHBondContact CG2-O 3.19Å; T441-T496 CarbonylContact O-C 3.59Å; T441-T496 WeakPolarHBondContact O-CA 3.48Å; T441-F497 HydrophobicContact CG2-CB 3.77Å; T441-F497 HydrophobicContact CG2-CG 4.34Å; T441-F497 PolarHBondContact O-N 3.23Å | ||
| 442 | I | 97.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 160.5 | -174.8 | 60.5 | 173.3 | 0 | 0 | 0 | 112.1 | W382 L424 Q426 E440 Y473 I474 V479 T496 | W382-I442 HydrophobicContact CH2-CB 4.36Å; W382-I442 HydrophobicContact CH2-CG2 3.81Å; W382-I442 HydrophobicContact CZ3-CG2 3.91Å; L424-I442 HydrophobicContact CD2-CB 4.37Å; L424-I442 HydrophobicContact CG-CD1 4.32Å; Q426-I442 HydrophobicContact CB-CD1 4.3Å; Q426-I442 HydrophobicContact CG-CD1 4.14Å; E440-I442 HydrophobicContact CB-CG2 4.11Å; E440-I442 PolarHBondContact O-N 2.68Å; I442-Y473 WeakPolarHBondContact O-CA 3.49Å; I442-I474 PolarHBondContact N-O 2.78Å; I442-I474 PolarHBondContact O-N 2.82Å; I442-V479 HydrophobicContact CD1-CG2 4.24Å; I442-V479 HydrophobicContact CG1-CG2 3.78Å; I442-T496 HydrophobicContact CG2-CG2 4.34Å |
| 443 | G | 97.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.3 | 179.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L424 S470 T495 | L424-G443 VanDerWaalsContact CD2-O 3.32Å; L424-G443 WeakPolarHBondContact CD2-O 3.45Å; G443-S470 WeakPolarHBondContact CA-OG 3.31Å; G443-T495 PolarHBondContact N-O 3.08Å; G443-T495 PolarHBondContact O-N 3.29Å |
| 444 | F | 97.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 160.7 | -179.2 | 61.1 | -96.8 | 0 | 0 | 0 | 112.2 | I422 L424 V446 R469 S470 V479 E481 F483 L492 V493 | I422-F444 HydrophobicContact CB-CE1 4.46Å; I422-F444 HydrophobicContact CB-CE2 3.9Å; I422-F444 HydrophobicContact CB-CZ 3.75Å; I422-F444 HydrophobicContact CD1-CE2 4.25Å; I422-F444 HydrophobicContact CG2-CD1 4.34Å; I422-F444 HydrophobicContact CG2-CD2 4.11Å; I422-F444 HydrophobicContact CG2-CE1 3.99Å; I422-F444 HydrophobicContact CG2-CE2 3.75Å; I422-F444 HydrophobicContact CG2-CG 4.4Å; I422-F444 HydrophobicContact CG2-CZ 3.67Å; L424-F444 HydrophobicContact CB-CD1 3.92Å; L424-F444 HydrophobicContact CB-CE1 4.45Å; L424-F444 HydrophobicContact CD2-CB 4.3Å; L424-F444 HydrophobicContact CD2-CD1 4.29Å; F444-V446 HydrophobicContact CD2-CG2 4.38Å; F444-R469 WeakPolarHBondContact O-CA 3.39Å; F444-R469 WeakPolarHBondContact O-CB 3.38Å; F444-S470 PolarHBondContact N-OG 3.39Å; F444-S470 VanDerWaalsContact N-OG 3.15Å; F444-S470 PolarHBondContact O-N 2.72Å; F444-S470 PolarHBondContact O-OG 3.06Å; F444-V479 HydrophobicContact CE1-CG1 4.36Å; F444-E481 HydrophobicContact CZ-CB 4.08Å; F444-E481 HydrophobicContact CZ-CG 4.4Å; F444-F483 AromaticContact CE2-CE2 3.59Å; F444-F483 HydrophobicContact CE2-CE2 3.59Å; F444-F483 AromaticContact CE2-CZ 3.76Å; F444-F483 HydrophobicContact CE2-CZ 3.76Å; F444-F483 AromaticContact CZ-CE2 3.92Å; F444-F483 HydrophobicContact CZ-CE2 3.92Å; F444-F483 HydrophobicContact CZ-CZ 4.13Å; F444-L492 HydrophobicContact CB-CD1 3.88Å; F444-L492 HydrophobicContact CD2-CD1 3.59Å; F444-L492 HydrophobicContact CE2-CD1 4.42Å; F444-L492 HydrophobicContact CG-CD1 3.96Å; F444-V493 WeakPolarHBondContact CA-O 3.5Å |
| 445 | A | 97.6 | Very high | 89.2 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 5% | 0.05 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 147.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | F398 Y447 R469 V493 | F398-A445 HydrophobicContact CZ-CB 4.49Å; A445-Y447 HydrophobicContact CB-CD2 4.43Å; A445-Y447 HydrophobicContact CB-CE2 3.62Å; A445-R469 HydrophobicContact CB-CB 4.33Å; A445-V493 PolarHBondContact N-O 2.99Å; A445-V493 VanDerWaalsContact N-O 3.07Å; A445-V493 PolarHBondContact O-N 2.69Å |
| 446 | V | 97.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 125.3 | 179.7 | -175.1 | 0 | 0 | 0 | 0 | 109.2 | I422 F444 S466 K467 A468 L485 Y490 L491 L492 | I422-V446 HydrophobicContact CD1-CG2 3.77Å; F444-V446 HydrophobicContact CD2-CG2 4.38Å; V446-S466 CarbonylContact O-C 3.51Å; V446-S466 WeakPolarHBondContact O-CA 3.31Å; V446-K467 PolarHBondContact O-N 3.27Å; V446-A468 WeakPolarHBondContact CA-O 3.43Å; V446-A468 HydrophobicContact CB-CB 4.09Å; V446-A468 HydrophobicContact CG2-CB 4.47Å; V446-A468 PolarHBondContact N-O 2.85Å; V446-A468 PolarHBondContact O-N 3.01Å; V446-L485 HydrophobicContact CG1-CD1 4.5Å; V446-Y490 HydrophobicContact CG1-CD1 3.99Å; V446-Y490 HydrophobicContact CG1-CG 4.22Å; V446-L491 CarbonylContact C-O 3.53Å; V446-L491 VanDerWaalsContact CA-O 3.28Å; V446-L491 WeakPolarHBondContact CA-O 3.36Å; V446-L492 HydrophobicContact CG2-CD1 3.95Å |
| 447 | Y | 96.9 | Very high | 89.5 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 2% | 0.02 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 165.4 | 178 | -62.8 | -98.2 | 0 | 0 | 0 | 110.2 | F398 A445 F460 F461 H464 P465 Y490 L491 V493 | F398-Y447 HydrophobicContact CE1-CE2 4.12Å; F398-Y447 HydrophobicContact CZ-CE2 4.09Å; A445-Y447 HydrophobicContact CB-CD2 4.43Å; A445-Y447 HydrophobicContact CB-CE2 3.62Å; Y447-F460 HydrophobicContact CD1-CE1 4.32Å; Y447-F460 HydrophobicContact CG-CE1 4.23Å; Y447-F461 HydrophobicContact CD1-CD1 4.39Å; Y447-F461 HydrophobicContact CD2-CD1 4.23Å; Y447-F461 AromaticContact CD2-CE1 3.92Å; Y447-F461 HydrophobicContact CD2-CE1 3.92Å; Y447-F461 HydrophobicContact CE1-CD1 4.09Å; Y447-F461 AromaticContact CE2-CD1 3.92Å; Y447-F461 HydrophobicContact CE2-CD1 3.92Å; Y447-F461 AromaticContact CE2-CE1 3.88Å; Y447-F461 HydrophobicContact CE2-CE1 3.88Å; Y447-F461 HydrophobicContact CG-CD1 4.47Å; Y447-F461 HydrophobicContact CG-CE1 4.37Å; Y447-F461 AromaticContact CZ-CD1 3.85Å; Y447-H464 WeakPolarHBondContact CE1-O 3.45Å; Y447-P465 WeakPolarHBondContact CD1-O 3.31Å; Y447-Y490 CarbonylContact O-C 3.6Å; Y447-Y490 WeakPolarHBondContact O-CA 3.37Å; Y447-L491 PolarHBondContact N-O 3.37Å; Y447-L491 PolarHBondContact O-N 2.64Å; Y447-V493 HydrophobicContact CD2-CG2 4.42Å |
| 448 | E | 95.3 | Very high | 89.6 | Confident | 112 Ų | 112 | 45.6 Ų | 45.6 | 52% | 0.523 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 126.9 | 165.6 | -170.3 | 169 | 174.5 | 0 | 0 | 108.4 | F460 K467 | E448-F460 WeakPolarHBondContact O-CZ 3.37Å; E448-K467 HydrophobicContact CB-CG 4.38Å; E448-K467 WeakPolarHBondContact OE2-CE 3.28Å; E448-K467 IonicContact OE2-NZ 3.54Å; E448-K467 PolarHBondContact OE2-NZ 2.91Å |
| 449 | A | 91.3 | Very high | 89.8 | Confident | 11 Ų | 11 | 46.7 Ų | 46.7 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -84.8 | 139.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R405 K489 L491 | R405-A449 HydrophobicContact CG-CB 4.16Å; A449-K489 HydrophobicContact CB-CB 3.96Å; A449-K489 PolarHBondContact N-O 3.32Å; A449-L491 HydrophobicContact CB-CB 4.09Å |
| 450 | P | 87.9 | Confident | 90 | Very high | 32 Ų | 32 | 46 Ų | 46 | 21% | 0.208 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -71.6 | 155.1 | 169.9 | 29.7 | -32.1 | 0 | 0 | 0 | 111.5 | E453 V456 F460 | P450-E453 HydrophobicContact CG-CB 4.27Å; P450-V456 HydrophobicContact CG-CG1 3.38Å; P450-F460 HydrophobicContact CG-CE2 4.37Å |
| 451 | D | 78.8 | Confident | 90.1 | Very high | 119 Ų | 119 | 44.5 Ų | 44.5 | 64% | 0.636 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -77.5 | -31.4 | -172.4 | -77.5 | -45.1 | 0 | 0 | 0 | 114.8 | K489 | D451-K489 WeakPolarHBondContact OD1-CD 3.49Å; D451-K489 WeakPolarHBondContact OD1-CE 3.28Å; D451-K489 IonicContact OD1-NZ 3.65Å; D451-K489 PolarHBondContact OD1-NZ 3.37Å |
| 452 | E | 76.2 | Confident | 90 | Very high | 188 Ų | 188 | 48.7 Ų | 48.7 | 88% | 0.879 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -113.9 | -10.4 | -165.1 | -63 | -172 | 171.5 | 0 | 0 | 115.2 | ||
| 453 | E | 75.4 | Confident | 89.8 | Confident | 91 Ų | 91 | 56.6 Ų | 56.6 | 43% | 0.425 | 27% | 0.274 | S | S | . | . | trans | -91.5 | 128 | -175.3 | -67 | -172.3 | -161.1 | 0 | 0 | 112.2 | R405 P450 Q455 V456 M520 | R405-E453 PolarHBondContact NH2-O 2.88Å; P450-E453 HydrophobicContact CG-CB 4.27Å; E453-Q455 VanDerWaalsContact C-N 3.29Å; E453-V456 HydrophobicContact CB-CG1 4.32Å; E453-V456 WeakPolarHBondContact OE2-CA 3.24Å; E453-M520 WeakPolarHBondContact O-CE 3.35Å | ||
| 454 | D | 76.7 | Confident | 89.7 | Confident | 76 Ų | 76 | 61.1 Ų | 61.1 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -69.9 | -24.3 | 173.1 | -89.5 | -12.5 | 0 | 0 | 0 | 113.3 | M520 G521 N523 | D454-M520 CarbonylContact O-C 3.46Å; D454-M520 WeakPolarHBondContact O-CA 3.36Å; D454-M520 VanDerWaalsContact O-CB 3.3Å; D454-M520 WeakPolarHBondContact O-CB 3.25Å; D454-M520 VanDerWaalsContact O-CE 3.25Å; D454-M520 WeakPolarHBondContact O-CE 3.39Å; D454-G521 PolarHBondContact O-N 3.41Å; D454-N523 PolarHBondContact OD2-ND2 2.96Å |
| 455 | Q | 83.4 | Confident | 89.5 | Confident | 21 Ų | 21 | 66 Ų | 66 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -160.7 | 134.4 | 171 | -172.4 | -177.3 | 14.6 | 0 | 0 | 108.9 | Q403 E453 R680 | Q403-Q455 VanDerWaalsContact OE1-CG 3.31Å; E453-Q455 VanDerWaalsContact C-N 3.29Å; Q455-R680 VanDerWaalsContact NE2-CZ 3.3Å; Q455-R680 VanDerWaalsContact NE2-NH1 3.11Å; Q455-R680 VanDerWaalsContact NE2-NH2 3.2Å |
| 456 | V | 89.4 | Confident | 89.5 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | trans | -86.3 | 139.9 | -177 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | Q403 P450 E453 F460 F461 L491 | Q403-V456 PolarHBondContact NE2-O 3.24Å; P450-V456 HydrophobicContact CG-CG1 3.38Å; E453-V456 HydrophobicContact CB-CG1 4.32Å; E453-V456 WeakPolarHBondContact OE2-CA 3.24Å; V456-F460 HydrophobicContact CB-CB 4.02Å; V456-F460 HydrophobicContact CB-CD1 3.92Å; V456-F460 HydrophobicContact CB-CG 3.94Å; V456-F460 HydrophobicContact CG1-CD1 4.3Å; V456-F460 HydrophobicContact CG1-CD2 4.42Å; V456-F460 HydrophobicContact CG1-CG 4.18Å; V456-F460 HydrophobicContact CG2-CD1 3.72Å; V456-F460 HydrophobicContact CG2-CE1 4.21Å; V456-F460 HydrophobicContact CG2-CG 4.26Å; V456-F461 HydrophobicContact CG2-CD2 4.47Å; V456-F461 HydrophobicContact CG2-CE1 4.16Å; V456-F461 HydrophobicContact CG2-CE2 3.5Å; V456-F461 VanDerWaalsContact CG2-CE2 3.5Å; V456-F461 HydrophobicContact CG2-CZ 3.32Å; V456-L491 HydrophobicContact CG1-CD2 4.43Å; V456-L491 HydrophobicContact CG2-CD2 3.31Å | ||
| 457 | G | 88.6 | Confident | 89.4 | Confident | 30 Ų | 30 | 73.5 Ų | 73.5 | 31% | 0.309 | 36% | 0.364 | S | S | . | . | trans | -87.6 | -178.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D459 F460 F461 | G457-D459 VanDerWaalsContact C-N 3.35Å; G457-D459 PolarHBondContact O-N 3.2Å; G457-F460 WeakPolarHBondContact O-CB 3.49Å; G457-F460 PolarHBondContact O-N 2.77Å; G457-F461 WeakPolarHBondContact O-CD2 3.45Å | ||
| 458 | K | 89.9 | Confident | 89.3 | Confident | 68 Ų | 68 | 73.9 Ų | 73.9 | 30% | 0.296 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -51.5 | -46.4 | 179.3 | -178.1 | 177.9 | 176.7 | 174.7 | 0 | 114.1 | D396 W399 F460 F461 R462 | D396-K458 WeakPolarHBondContact OD1-CE 3.32Å; D396-K458 IonicContact OD1-NZ 3.06Å; D396-K458 PolarHBondContact OD1-NZ 2.94Å; W399-K458 HydrophobicContact CD2-CB 4.42Å; W399-K458 HydrophobicContact CG-CB 3.95Å; K458-F460 VanDerWaalsContact C-N 3.3Å; K458-F460 PolarHBondContact O-N 2.78Å; K458-F461 PolarHBondContact O-N 2.98Å; K458-R462 PolarHBondContact O-N 3.41Å |
| 459 | D | 90.5 | Very high | 89.2 | Confident | 99 Ų | 99 | 76.3 Ų | 76.3 | 53% | 0.529 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.2 | -34.4 | -173.5 | -71.7 | -32.9 | 0 | 0 | 0 | 112.5 | G457 F461 R462 Y463 | G457-D459 VanDerWaalsContact C-N 3.35Å; G457-D459 PolarHBondContact O-N 3.2Å; D459-F461 PolarHBondContact O-N 3.24Å; D459-R462 WeakPolarHBondContact O-CB 3.3Å; D459-R462 PolarHBondContact O-N 2.86Å; D459-R462 VanDerWaalsContact O-N 3.12Å; D459-Y463 HydrophobicContact CB-CD2 4.43Å; D459-Y463 HydrophobicContact CB-CE2 4.23Å; D459-Y463 WeakPolarHBondContact O-CD2 3.35Å; D459-Y463 PolarHBondContact O-N 3.02Å |
| 460 | F | 93.8 | Very high | 89.3 | Confident | 24 Ų | 24 | 75.9 Ų | 75.9 | 11% | 0.105 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -53.9 | -53.5 | 174.7 | 171.9 | -95.3 | 0 | 0 | 0 | 110.8 | Y447 E448 P450 V456 G457 K458 R462 Y463 H464 L491 | Y447-F460 HydrophobicContact CD1-CE1 4.32Å; Y447-F460 HydrophobicContact CG-CE1 4.23Å; E448-F460 WeakPolarHBondContact O-CZ 3.37Å; P450-F460 HydrophobicContact CG-CE2 4.37Å; V456-F460 HydrophobicContact CB-CB 4.02Å; V456-F460 HydrophobicContact CB-CD1 3.92Å; V456-F460 HydrophobicContact CB-CG 3.94Å; V456-F460 HydrophobicContact CG1-CD1 4.3Å; V456-F460 HydrophobicContact CG1-CD2 4.42Å; V456-F460 HydrophobicContact CG1-CG 4.18Å; V456-F460 HydrophobicContact CG2-CD1 3.72Å; V456-F460 HydrophobicContact CG2-CE1 4.21Å; V456-F460 HydrophobicContact CG2-CG 4.26Å; G457-F460 WeakPolarHBondContact O-CB 3.49Å; G457-F460 PolarHBondContact O-N 2.77Å; K458-F460 VanDerWaalsContact C-N 3.3Å; K458-F460 PolarHBondContact O-N 2.78Å; F460-R462 PolarHBondContact O-N 3.07Å; F460-Y463 PolarHBondContact O-N 3.45Å; F460-H464 AromaticContact CD2-CE1 3.81Å; F460-H464 AromaticContact CD2-CG 3.99Å; F460-H464 AromaticContact CD2-ND1 3.48Å; F460-H464 WeakPolarHBondContact CD2-ND1 3.29Å; F460-H464 HydrophobicContact CE1-CB 4.47Å; F460-H464 HydrophobicContact CE2-CB 4.19Å; F460-H464 AromaticContact CE2-CG 3.75Å; F460-H464 AromaticContact CE2-ND1 3.73Å; F460-H464 HydrophobicContact CZ-CB 4.12Å; F460-H464 WeakPolarHBondContact O-CB 3.45Å; F460-H464 PolarHBondContact O-N 3.04Å; F460-H464 PolarHBondContact O-ND1 2.82Å; F460-L491 HydrophobicContact CE1-CD2 4Å |
| 461 | F | 94.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69.3 | -22.5 | -178.6 | -61.6 | -68.8 | 0 | 0 | 0 | 113.4 | R392 I395 F398 W399 Y447 V456 G457 K458 D459 L491 V493 | R392-F461 VanDerWaalsContact CZ-O 3.25Å; R392-F461 PolarHBondContact NE-O 2.8Å; R392-F461 PolarHBondContact NH2-O 3.33Å; I395-F461 HydrophobicContact CD1-CB 3.66Å; F398-F461 HydrophobicContact CD1-CB 4.04Å; F398-F461 AromaticContact CD1-CD1 3.96Å; F398-F461 HydrophobicContact CD1-CD1 3.96Å; F398-F461 HydrophobicContact CD1-CD2 4.04Å; F398-F461 HydrophobicContact CD1-CE1 4.37Å; F398-F461 HydrophobicContact CD1-CE2 4.45Å; F398-F461 AromaticContact CD1-CG 3.74Å; F398-F461 HydrophobicContact CD1-CG 3.74Å; F398-F461 HydrophobicContact CE1-CB 4.28Å; F398-F461 AromaticContact CE1-CD1 3.46Å; F398-F461 HydrophobicContact CE1-CD1 3.46Å; F398-F461 VanDerWaalsContact CE1-CD1 3.46Å; F398-F461 HydrophobicContact CE1-CD2 4.31Å; F398-F461 AromaticContact CE1-CE1 3.69Å; F398-F461 HydrophobicContact CE1-CE1 3.69Å; F398-F461 AromaticContact CE1-CG 3.75Å; F398-F461 HydrophobicContact CE1-CG 3.75Å; F398-F461 HydrophobicContact CE1-CZ 4.2Å; W399-F461 HydrophobicContact CB-CD2 3.6Å; W399-F461 HydrophobicContact CB-CE2 3.64Å; Y447-F461 HydrophobicContact CD1-CD1 4.39Å; Y447-F461 HydrophobicContact CD2-CD1 4.23Å; Y447-F461 AromaticContact CD2-CE1 3.92Å; Y447-F461 HydrophobicContact CD2-CE1 3.92Å; Y447-F461 HydrophobicContact CE1-CD1 4.09Å; Y447-F461 AromaticContact CE2-CD1 3.92Å; Y447-F461 HydrophobicContact CE2-CD1 3.92Å; Y447-F461 AromaticContact CE2-CE1 3.88Å; Y447-F461 HydrophobicContact CE2-CE1 3.88Å; Y447-F461 HydrophobicContact CG-CD1 4.47Å; Y447-F461 HydrophobicContact CG-CE1 4.37Å; Y447-F461 AromaticContact CZ-CD1 3.85Å; V456-F461 HydrophobicContact CG2-CD2 4.47Å; V456-F461 HydrophobicContact CG2-CE1 4.16Å; V456-F461 HydrophobicContact CG2-CE2 3.5Å; V456-F461 VanDerWaalsContact CG2-CE2 3.5Å; V456-F461 HydrophobicContact CG2-CZ 3.32Å; G457-F461 WeakPolarHBondContact O-CD2 3.45Å; K458-F461 PolarHBondContact O-N 2.98Å; D459-F461 PolarHBondContact O-N 3.24Å; F461-L491 HydrophobicContact CE1-CD2 3.85Å; F461-L491 HydrophobicContact CZ-CD2 3.8Å; F461-V493 HydrophobicContact CE1-CG2 3.9Å; F461-V493 HydrophobicContact CZ-CG2 3.93Å |
| 462 | R | 93.8 | Very high | 89.4 | Confident | 138 Ų | 138 | 81.4 Ų | 81.4 | 52% | 0.521 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.8 | -38.7 | 175.7 | -168.2 | 175.3 | -172.8 | 136.6 | 4.2 | 111.6 | K458 D459 F460 | K458-R462 PolarHBondContact O-N 3.41Å; D459-R462 WeakPolarHBondContact O-CB 3.3Å; D459-R462 PolarHBondContact O-N 2.86Å; D459-R462 VanDerWaalsContact O-N 3.12Å; F460-R462 PolarHBondContact O-N 3.07Å |
| 463 | Y | 93.8 | Very high | 90.1 | Very high | 165 Ų | 165 | 74.9 Ų | 74.9 | 65% | 0.647 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -104.9 | -12.5 | -172.5 | -58.7 | -64.5 | 0 | 0 | 0 | 114.7 | D459 F460 | D459-Y463 HydrophobicContact CB-CD2 4.43Å; D459-Y463 HydrophobicContact CB-CE2 4.23Å; D459-Y463 WeakPolarHBondContact O-CD2 3.35Å; D459-Y463 PolarHBondContact O-N 3.02Å; F460-Y463 PolarHBondContact O-N 3.45Å |
| 464 | H | 94.3 | Very high | 90.6 | Very high | 95 Ų | 95 | 73 Ų | 73 | 44% | 0.44 | 35% | 0.346 | S | S | . | . | trans | -111.1 | 127 | -179 | -60.3 | 83.3 | 0 | 0 | 0 | 111.9 | Y447 F460 | Y447-H464 WeakPolarHBondContact CE1-O 3.45Å; F460-H464 AromaticContact CD2-CE1 3.81Å; F460-H464 AromaticContact CD2-CG 3.99Å; F460-H464 AromaticContact CD2-ND1 3.48Å; F460-H464 WeakPolarHBondContact CD2-ND1 3.29Å; F460-H464 HydrophobicContact CE1-CB 4.47Å; F460-H464 HydrophobicContact CE2-CB 4.19Å; F460-H464 AromaticContact CE2-CG 3.75Å; F460-H464 AromaticContact CE2-ND1 3.73Å; F460-H464 HydrophobicContact CZ-CB 4.12Å; F460-H464 WeakPolarHBondContact O-CB 3.45Å; F460-H464 PolarHBondContact O-N 3.04Å; F460-H464 PolarHBondContact O-ND1 2.82Å | ||
| 465 | P | 94.8 | Very high | 91.2 | Very high | 105 Ų | 105 | 73.9 Ų | 73.9 | 68% | 0.682 | 35% | 0.35 | S | S | * | . | trans | -78.6 | 153.2 | 174.2 | 32.3 | -34.1 | 0 | 0 | 0 | 111.8 | Y447 | Y447-P465 WeakPolarHBondContact CD1-O 3.31Š| ||
| 466 | S | 95.9 | Very high | 91.4 | Very high | 41 Ų | 41 | 74.6 Ų | 74.6 | 29% | 0.287 | 35% | 0.354 | S | S | . | . | trans | -67.8 | 136.7 | 172.1 | 57.6 | 0 | 0 | 0 | 0 | 110.6 | V446 | V446-S466 CarbonylContact O-C 3.51Å; V446-S466 WeakPolarHBondContact O-CA 3.31Å | ||
| 467 | K | 95.4 | Very high | 91.5 | Very high | 122 Ų | 122 | 75.9 Ų | 75.9 | 53% | 0.53 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -78.6 | -34.7 | 171.9 | -63.8 | -69.7 | -176.4 | 162.7 | 0 | 111.7 | V446 E448 | V446-K467 PolarHBondContact O-N 3.27Å; E448-K467 HydrophobicContact CB-CG 4.38Å; E448-K467 WeakPolarHBondContact OE2-CE 3.28Å; E448-K467 IonicContact OE2-NZ 3.54Å; E448-K467 PolarHBondContact OE2-NZ 2.91Å |
| 468 | A | 94.6 | Very high | 91.7 | Very high | 13 Ų | 13 | 74.7 Ų | 74.7 | 11% | 0.107 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 161.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V446 F483 L485 | V446-A468 WeakPolarHBondContact CA-O 3.43Å; V446-A468 HydrophobicContact CB-CB 4.09Å; V446-A468 HydrophobicContact CG2-CB 4.47Å; V446-A468 PolarHBondContact N-O 2.85Å; V446-A468 PolarHBondContact O-N 3.01Å; A468-F483 HydrophobicContact CB-CD1 3.57Å; A468-F483 HydrophobicContact CB-CE1 3.68Å; A468-F483 HydrophobicContact CB-CG 4.08Å; A468-F483 HydrophobicContact CB-CZ 4.27Å; A468-L485 HydrophobicContact CB-CD2 4.33Å |
| 469 | R | 94.7 | Very high | 91.8 | Very high | 164 Ų | 164 | 71.8 Ų | 71.8 | 62% | 0.619 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 162.3 | 177.9 | 58.6 | -179 | -176.9 | -175.4 | 2.1 | 110.1 | F444 A445 F483 | F444-R469 WeakPolarHBondContact O-CA 3.39Å; F444-R469 WeakPolarHBondContact O-CB 3.38Å; A445-R469 HydrophobicContact CB-CB 4.33Å; R469-F483 WeakPolarHBondContact O-CE1 3.3Å; R469-F483 WeakPolarHBondContact O-CZ 3.33Å |
| 470 | S | 92.8 | Very high | 91.9 | Very high | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | trans | -56.4 | 138.5 | 165.9 | 62.3 | 0 | 0 | 0 | 0 | 110.2 | G443 F444 T472 | G443-S470 WeakPolarHBondContact CA-OG 3.31Å; F444-S470 PolarHBondContact N-OG 3.39Å; F444-S470 VanDerWaalsContact N-OG 3.15Å; F444-S470 PolarHBondContact O-N 2.72Å; F444-S470 PolarHBondContact O-OG 3.06Å; S470-T472 VanDerWaalsContact C-N 3.26Å; S470-T472 PolarHBondContact O-N 3.21Å; S470-T472 PolarHBondContact OG-O 2.97Å | ||
| 471 | R | 85.5 | Confident | 91.7 | Very high | 183 Ų | 183 | 68 Ų | 68 | 69% | 0.691 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -61.2 | -40.8 | -176.7 | -71.4 | 172.5 | -164.9 | -154.6 | -5.3 | 111.7 | E481 | R471-E481 WeakPolarHBondContact CB-OE1 3.09Å; R471-E481 VanDerWaalsContact CD-OE1 3.25Å; R471-E481 WeakPolarHBondContact CD-OE1 3.26Å; R471-E481 WeakPolarHBondContact CD-OE2 3.31Å; R471-E481 WeakPolarHBondContact CG-OE1 3.31Å; R471-E481 IonicContact CZ-OE2 2.67Å; R471-E481 PolarHBondContact N-OE1 3.39Å; R471-E481 IonicContact NE-OE1 3.71Å; R471-E481 IonicContact NE-OE2 3.44Å; R471-E481 PolarHBondContact NE-OE2 2.99Å; R471-E481 IonicContact NH2-OE2 3.86Å |
| 472 | T | 83.8 | Confident | 91.3 | Very high | 83 Ų | 83 | 72.4 Ų | 72.4 | 51% | 0.509 | 33% | 0.331 | S | S | . | . | trans | -136 | 148.6 | -176.6 | -52.2 | 0 | 0 | 0 | 0 | 109.5 | S470 | S470-T472 VanDerWaalsContact C-N 3.26Å; S470-T472 PolarHBondContact O-N 3.21Å; S470-T472 PolarHBondContact OG-O 2.97Å | ||
| 473 | Y | 89.6 | Confident | 91 | Very high | 52 Ų | 52 | 67 Ų | 67 | 20% | 0.204 | 31% | 0.311 | C | S | . | . | trans | -89.7 | 120.1 | 164 | -90.8 | -105.9 | 0 | 0 | 0 | 107.6 | C391 T441 I442 T495 F497 | C391-Y473 HydrophobicContact CB-CD1 4.46Å; C391-Y473 HydrophobicContact CB-CE1 3.69Å; C391-Y473 HydrophobicContact CB-CE2 4.39Å; T441-Y473 VanDerWaalsContact CG2-C 3.44Å; T441-Y473 WeakPolarHBondContact CG2-O 3.19Å; I442-Y473 WeakPolarHBondContact O-CA 3.49Å; Y473-T495 WeakPolarHBondContact CE1-OG1 3.37Å; Y473-T495 PolarHBondContact OH-OG1 3.11Å; Y473-F497 HydrophobicContact CD1-CB 3.81Å; Y473-F497 AromaticContact CD1-CD2 3.77Å; Y473-F497 HydrophobicContact CD1-CD2 3.77Å; Y473-F497 HydrophobicContact CD1-CG 4.3Å; Y473-F497 HydrophobicContact CD2-CD2 4.47Å; Y473-F497 HydrophobicContact CG-CB 4.49Å; Y473-F497 AromaticContact CG-CD2 3.73Å; Y473-F497 HydrophobicContact CG-CD2 3.73Å | ||
| 474 | I | 87.2 | Confident | 90.8 | Very high | 50 Ų | 50 | 63.5 Ų | 63.5 | 26% | 0.256 | 31% | 0.307 | S | S | . | . | B | Isolated β-bridge | trans | -140.4 | 146.8 | -170.4 | -165 | 172.4 | 0 | 0 | 0 | 110.9 | I442 M476 V479 | I442-I474 PolarHBondContact N-O 2.78Å; I442-I474 PolarHBondContact O-N 2.82Å; I474-M476 HydrophobicContact CD1-CE 3.93Å; I474-M476 HydrophobicContact CD1-CG 3.9Å; I474-M476 HydrophobicContact CD1-SD 4Å; I474-M476 HydrophobicContact CG1-CG 3.94Å; I474-M476 HydrophobicContact CG2-CB 4.19Å; I474-M476 HydrophobicContact CG2-CE 3.61Å; I474-M476 HydrophobicContact CG2-CG 3.99Å; I474-M476 PolarHBondContact O-N 3.37Å; I474-V479 HydrophobicContact CG2-CG2 3.52Å |
| 475 | N | 88.4 | Confident | 90.7 | Very high | 95 Ų | 95 | 59.6 Ų | 59.6 | 51% | 0.508 | 29% | 0.29 | S | S | . | . | trans | -82.1 | 57.3 | 177.7 | 61.5 | -28 | 0 | 0 | 0 | 111.5 | L439 E440 | L439-N475 HydrophobicContact CB-CB 4.43Å; L439-N475 WeakPolarHBondContact CD1-O 3.44Å; E440-N475 WeakPolarHBondContact O-CA 3.22Å | ||
| 476 | M | 88.1 | Confident | 90.6 | Very high | 36 Ų | 36 | 58 Ų | 58 | 18% | 0.177 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -109.5 | 158.5 | 173.5 | -66.6 | -162.3 | -64.1 | 0 | 0 | 110.9 | M202 Q426 I474 E478 | M202-M476 HydrophobicContact CE-CE 3.97Å; M202-M476 HydrophobicContact CE-SD 3.59Å; M202-M476 VanDerWaalsContact CE-SD 3.59Å; M202-M476 HydrophobicContact SD-CE 4.1Å; M202-M476 HydrophobicContact SD-SD 4.28Å; Q426-M476 PolarHBondContact NE2-O 2.71Å; I474-M476 HydrophobicContact CD1-CE 3.93Å; I474-M476 HydrophobicContact CD1-CG 3.9Å; I474-M476 HydrophobicContact CD1-SD 4Å; I474-M476 HydrophobicContact CG1-CG 3.94Å; I474-M476 HydrophobicContact CG2-CB 4.19Å; I474-M476 HydrophobicContact CG2-CE 3.61Å; I474-M476 HydrophobicContact CG2-CG 3.99Å; I474-M476 PolarHBondContact O-N 3.37Å; M476-E478 VanDerWaalsContact C-N 3.3Å; M476-E478 PolarHBondContact O-N 3.05Å |
| 477 | R | 91.7 | Very high | 90.5 | Very high | 29 Ų | 29 | 59.1 Ų | 59.1 | 11% | 0.109 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -58.7 | -42.8 | 176.2 | -169.4 | -173.9 | 75.4 | 175.7 | 2.7 | 111.9 | E190 E193 D194 M425 Q426 L439 | E190-R477 PolarHBondContact O-NH2 3.35Å; E190-R477 IonicContact OE1-NH1 2.72Å; E193-R477 IonicContact OE2-CZ 3.63Å; E193-R477 IonicContact OE2-NE 3.11Å; E193-R477 IonicContact OE2-NH2 3.68Å; E193-R477 PolarHBondContact OE2-NH2 3.22Å; D194-R477 IonicContact OD1-CZ 3.41Å; D194-R477 VanDerWaalsContact OD1-CZ 3.23Å; D194-R477 IonicContact OD1-NH1 3.29Å; D194-R477 PolarHBondContact OD1-NH1 3.24Å; D194-R477 IonicContact OD1-NH2 2.68Å; D194-R477 PolarHBondContact OD1-NH2 3.28Å; D194-R477 IonicContact OD2-CZ 2.78Å; D194-R477 IonicContact OD2-NH1 2.73Å; D194-R477 PolarHBondContact OD2-NH1 3.26Å; M425-R477 CarbonylContact C-O 3.5Å; M425-R477 VanDerWaalsContact CA-O 3.26Å; M425-R477 WeakPolarHBondContact CA-O 3.39Å; M425-R477 HydrophobicContact CG-CG 4.15Å; Q426-R477 WeakPolarHBondContact CG-O 3.37Å; Q426-R477 PolarHBondContact N-O 2.93Å; L439-R477 HydrophobicContact CD2-CB 4.27Å |
| 478 | E | 92.3 | Very high | 90.4 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.019 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 140.3 | 177.2 | -177.6 | 167.5 | 111.4 | 0 | 0 | 110.4 | A423 L424 M425 M476 R508 | A423-E478 HydrophobicContact CB-CG 4.23Å; A423-E478 WeakPolarHBondContact CB-OE1 3.37Å; L424-E478 CarbonylContact O-C 3.48Å; L424-E478 VanDerWaalsContact O-CA 3.31Å; L424-E478 WeakPolarHBondContact O-CA 3.46Å; M425-E478 HydrophobicContact CB-CB 4.15Å; M425-E478 HydrophobicContact CB-CG 4.23Å; M425-E478 HydrophobicContact CE-CB 4.32Å; M425-E478 VanDerWaalsContact CE-OE2 3.28Å; M425-E478 WeakPolarHBondContact CE-OE2 3.48Å; M425-E478 HydrophobicContact CG-CB 4.44Å; M476-E478 VanDerWaalsContact C-N 3.3Å; M476-E478 PolarHBondContact O-N 3.05Å; E478-R508 VanDerWaalsContact CD-NH2 3.28Å; E478-R508 IonicContact OE1-NH2 3.89Å; E478-R508 PolarHBondContact OE1-NH2 3.41Å; E478-R508 IonicContact OE2-CZ 3.08Å; E478-R508 IonicContact OE2-NE 3.37Å; E478-R508 IonicContact OE2-NH2 2.64Å; E478-R508 PolarHBondContact OE2-NH2 3.07Å |
| 479 | V | 91.9 | Very high | 90.4 | Very high | 8 Ų | 8 | 57 Ų | 57 | 5% | 0.048 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 120.2 | 168.2 | 177.1 | 0 | 0 | 0 | 0 | 107.8 | L424 I442 F444 I474 | L424-V479 PolarHBondContact N-O 2.74Å; L424-V479 PolarHBondContact O-N 3.33Å; I442-V479 HydrophobicContact CD1-CG2 4.24Å; I442-V479 HydrophobicContact CG1-CG2 3.78Å; F444-V479 HydrophobicContact CE1-CG1 4.36Å; I474-V479 HydrophobicContact CG2-CG2 3.52Å |
| 480 | S | 91.8 | Very high | 90.5 | Very high | 14 Ų | 14 | 49.9 Ų | 49.9 | 10% | 0.098 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 142.9 | -179 | 59.7 | 0 | 0 | 0 | 0 | 111.4 | G200 I422 | G200-S480 VanDerWaalsContact O-CB 3.28Å; G200-S480 WeakPolarHBondContact O-CB 3.36Å; G200-S480 PolarHBondContact O-OG 2.95Å; I422-S480 CarbonylContact O-C 3.49Å; I422-S480 VanDerWaalsContact O-CA 3.24Å; I422-S480 WeakPolarHBondContact O-CA 3.41Å |
| 481 | E | 89.7 | Confident | 90.7 | Very high | 30 Ų | 30 | 49.8 Ų | 49.8 | 14% | 0.14 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 148 | 172.8 | -72.1 | -68.4 | 167.3 | 0 | 0 | 111.1 | V421 I422 F444 R471 F483 | V421-E481 WeakPolarHBondContact CA-O 3.2Å; I422-E481 PolarHBondContact N-O 2.72Å; I422-E481 PolarHBondContact O-N 3.12Å; F444-E481 HydrophobicContact CZ-CB 4.08Å; F444-E481 HydrophobicContact CZ-CG 4.4Å; R471-E481 WeakPolarHBondContact CB-OE1 3.09Å; R471-E481 VanDerWaalsContact CD-OE1 3.25Å; R471-E481 WeakPolarHBondContact CD-OE1 3.26Å; R471-E481 WeakPolarHBondContact CD-OE2 3.31Å; R471-E481 WeakPolarHBondContact CG-OE1 3.31Å; R471-E481 IonicContact CZ-OE2 2.67Å; R471-E481 PolarHBondContact N-OE1 3.39Å; R471-E481 IonicContact NE-OE1 3.71Å; R471-E481 IonicContact NE-OE2 3.44Å; R471-E481 PolarHBondContact NE-OE2 2.99Å; R471-E481 IonicContact NH2-OE2 3.86Å; E481-F483 HydrophobicContact CB-CD2 4.49Å; E481-F483 HydrophobicContact CB-CE1 4Å; E481-F483 HydrophobicContact CB-CE2 3.6Å; E481-F483 HydrophobicContact CB-CZ 3.32Å; E481-F483 HydrophobicContact CG-CZ 4.04Å |
| 482 | R | 86.8 | Confident | 91.2 | Very high | 91 Ų | 91 | 41.2 Ų | 41.2 | 34% | 0.343 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 129.8 | 173.1 | -178.8 | 179.5 | -63.2 | -79.6 | -1.6 | 110 | E201 V420 V421 | E201-R482 IonicContact OE1-CZ 2.87Å; E201-R482 IonicContact OE1-NE 2.77Å; E201-R482 IonicContact OE1-NH2 2.69Å; E201-R482 PolarHBondContact OE1-NH2 3.41Å; E201-R482 IonicContact OE2-CZ 3.94Å; E201-R482 IonicContact OE2-NE 3.93Å; E201-R482 PolarHBondContact OE2-NE 2.97Å; E201-R482 IonicContact OE2-NH2 2.85Å; V420-R482 WeakPolarHBondContact O-CA 3.44Å; V421-R482 HydrophobicContact CG2-CB 4.22Å; V421-R482 HydrophobicContact CG2-CG 4.19Å |
| 483 | F | 88.9 | Confident | 91.9 | Very high | 25 Ų | 25 | 37.2 Ų | 37.2 | 11% | 0.11 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 149.8 | 176.7 | -53.9 | -71.4 | 0 | 0 | 0 | 111 | V420 I422 F444 A468 R469 E481 L485 | V420-F483 PolarHBondContact N-O 2.8Å; V420-F483 PolarHBondContact O-N 2.81Å; I422-F483 HydrophobicContact CB-CE2 4.39Å; I422-F483 HydrophobicContact CD1-CD2 4.07Å; I422-F483 HydrophobicContact CD1-CE2 4.06Å; I422-F483 HydrophobicContact CG1-CD2 4.5Å; I422-F483 HydrophobicContact CG1-CE2 4.5Å; F444-F483 AromaticContact CE2-CE2 3.59Å; F444-F483 HydrophobicContact CE2-CE2 3.59Å; F444-F483 AromaticContact CE2-CZ 3.76Å; F444-F483 HydrophobicContact CE2-CZ 3.76Å; F444-F483 AromaticContact CZ-CE2 3.92Å; F444-F483 HydrophobicContact CZ-CE2 3.92Å; F444-F483 HydrophobicContact CZ-CZ 4.13Å; A468-F483 HydrophobicContact CB-CD1 3.57Å; A468-F483 HydrophobicContact CB-CE1 3.68Å; A468-F483 HydrophobicContact CB-CG 4.08Å; A468-F483 HydrophobicContact CB-CZ 4.27Å; R469-F483 WeakPolarHBondContact O-CE1 3.3Å; R469-F483 WeakPolarHBondContact O-CZ 3.33Å; E481-F483 HydrophobicContact CB-CD2 4.49Å; E481-F483 HydrophobicContact CB-CE1 4Å; E481-F483 HydrophobicContact CB-CE2 3.6Å; E481-F483 HydrophobicContact CB-CZ 3.32Å; E481-F483 HydrophobicContact CG-CZ 4.04Å; F483-L485 HydrophobicContact CB-CD1 4.39Å; F483-L485 HydrophobicContact CB-CG 4.06Å |
| 484 | T | 89.2 | Confident | 92.3 | Very high | 92 Ų | 92 | 34.8 Ų | 34.8 | 56% | 0.564 | 19% | 0.186 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 115.7 | 161.8 | 46 | 0 | 0 | 0 | 0 | 107.6 | V417 C418 | V417-T484 HydrophobicContact CG2-CG2 4.15Å; C418-T484 WeakPolarHBondContact O-CA 3.23Å |
| 485 | L | 91.9 | Very high | 92.8 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 6% | 0.063 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 140.7 | -175.8 | -65.9 | 175.9 | 0 | 0 | 0 | 109.3 | L408 C418 V446 A468 F483 Y490 | L408-L485 HydrophobicContact CD1-CB 3.9Å; L408-L485 HydrophobicContact CD1-CD1 4.25Å; C418-L485 WeakPolarHBondContact CB-O 3.29Å; C418-L485 PolarHBondContact N-O 3.46Å; C418-L485 PolarHBondContact O-N 3.23Å; V446-L485 HydrophobicContact CG1-CD1 4.5Å; A468-L485 HydrophobicContact CB-CD2 4.33Å; F483-L485 HydrophobicContact CB-CD1 4.39Å; F483-L485 HydrophobicContact CB-CG 4.06Å; L485-Y490 HydrophobicContact CB-CE1 4.45Å; L485-Y490 HydrophobicContact CB-CE2 4.15Å; L485-Y490 HydrophobicContact CD1-CD1 4.25Å; L485-Y490 HydrophobicContact CD1-CD2 4.38Å; L485-Y490 HydrophobicContact CD1-CE1 4.18Å; L485-Y490 HydrophobicContact CD1-CE2 4.33Å; L485-Y490 HydrophobicContact CD1-CG 4.34Å; L485-Y490 HydrophobicContact CD2-CE1 4.28Å |
| 486 | P | 92.8 | Very high | 93.2 | Very high | 73 Ų | 73 | 27.9 Ų | 27.9 | 47% | 0.474 | 15% | 0.15 | S | C | . | . | trans | -63.9 | 156 | 171.8 | 25.8 | -31.3 | 0 | 0 | 0 | 110.6 | G488 Y490 | P486-G488 PolarHBondContact O-N 3.32Å; P486-Y490 VanDerWaalsContact CD-OH 3.25Å; P486-Y490 WeakPolarHBondContact CD-OH 3.37Å; P486-Y490 WeakPolarHBondContact CG-OH 3.45Å; P486-Y490 WeakPolarHBondContact O-CE2 3.39Å; P486-Y490 PolarHBondContact O-OH 3.08Å | ||
| 487 | P | 93.7 | Very high | 93.6 | Very high | 63 Ų | 63 | 29.4 Ų | 29.4 | 41% | 0.409 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -51.9 | 135 | 171.2 | -26.4 | 34.4 | 0 | 0 | 0 | 111.5 | A411 | A411-P487 HydrophobicContact CB-CG 4.25Š|
| 488 | G | 93.3 | Very high | 93.8 | Very high | 21 Ų | 21 | 31.4 Ų | 31.4 | 22% | 0.216 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164 | -177.2 | -172 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q407 L408 P486 | Q407-G488 PolarHBondContact NE2-O 2.75Å; L408-G488 PolarHBondContact N-O 3.39Å; L408-G488 PolarHBondContact O-N 2.83Å; P486-G488 PolarHBondContact O-N 3.32Å |
| 489 | K | 94.8 | Very high | 93.8 | Very high | 71 Ų | 71 | 32 Ų | 32 | 31% | 0.309 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 130.3 | 176.4 | -64.3 | -177.7 | -171.2 | 171.2 | 0 | 110 | L406 A449 D451 | L406-K489 CarbonylContact O-C 3.53Å; L406-K489 WeakPolarHBondContact O-CA 3.45Å; A449-K489 HydrophobicContact CB-CB 3.96Å; A449-K489 PolarHBondContact N-O 3.32Å; D451-K489 WeakPolarHBondContact OD1-CD 3.49Å; D451-K489 WeakPolarHBondContact OD1-CE 3.28Å; D451-K489 IonicContact OD1-NZ 3.65Å; D451-K489 PolarHBondContact OD1-NZ 3.37Å |
| 490 | Y | 96 | Very high | 93.7 | Very high | 13 Ų | 13 | 35.5 Ų | 35.5 | 5% | 0.051 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 151.5 | -177.2 | -62.2 | -81.8 | 0 | 0 | 0 | 111 | R405 L406 L408 V446 Y447 L485 P486 | R405-Y490 CarbonylContact C-O 3.52Å; R405-Y490 WeakPolarHBondContact CA-O 3.34Å; L406-Y490 PolarHBondContact N-O 3.31Å; L406-Y490 PolarHBondContact O-N 3.27Å; L408-Y490 HydrophobicContact CD1-CD2 3.89Å; L408-Y490 HydrophobicContact CD1-CE2 3.68Å; L408-Y490 HydrophobicContact CG-CD2 4.14Å; L408-Y490 HydrophobicContact CG-CE2 4.2Å; V446-Y490 HydrophobicContact CG1-CD1 3.99Å; V446-Y490 HydrophobicContact CG1-CG 4.22Å; Y447-Y490 CarbonylContact O-C 3.6Å; Y447-Y490 WeakPolarHBondContact O-CA 3.37Å; L485-Y490 HydrophobicContact CB-CE1 4.45Å; L485-Y490 HydrophobicContact CB-CE2 4.15Å; L485-Y490 HydrophobicContact CD1-CD1 4.25Å; L485-Y490 HydrophobicContact CD1-CD2 4.38Å; L485-Y490 HydrophobicContact CD1-CE1 4.18Å; L485-Y490 HydrophobicContact CD1-CE2 4.33Å; L485-Y490 HydrophobicContact CD1-CG 4.34Å; L485-Y490 HydrophobicContact CD2-CE1 4.28Å; P486-Y490 VanDerWaalsContact CD-OH 3.25Å; P486-Y490 WeakPolarHBondContact CD-OH 3.37Å; P486-Y490 WeakPolarHBondContact CG-OH 3.45Å; P486-Y490 WeakPolarHBondContact O-CE2 3.39Å; P486-Y490 PolarHBondContact O-OH 3.08Å |
| 491 | L | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 113.5 | 176.4 | -179.7 | 75.9 | 0 | 0 | 0 | 108.6 | Q403 F404 V446 Y447 A449 V456 F460 F461 V493 M520 | Q403-L491 HydrophobicContact CB-CD1 3.98Å; Q403-L491 HydrophobicContact CG-CD1 4.43Å; F404-L491 CarbonylContact O-C 3.59Å; F404-L491 WeakPolarHBondContact O-CA 3.47Å; V446-L491 CarbonylContact C-O 3.53Å; V446-L491 VanDerWaalsContact CA-O 3.28Å; V446-L491 WeakPolarHBondContact CA-O 3.36Å; Y447-L491 PolarHBondContact N-O 3.37Å; Y447-L491 PolarHBondContact O-N 2.64Å; A449-L491 HydrophobicContact CB-CB 4.09Å; V456-L491 HydrophobicContact CG1-CD2 4.43Å; V456-L491 HydrophobicContact CG2-CD2 3.31Å; F460-L491 HydrophobicContact CE1-CD2 4Å; F461-L491 HydrophobicContact CE1-CD2 3.85Å; F461-L491 HydrophobicContact CZ-CD2 3.8Å; L491-V493 HydrophobicContact CD2-CG2 4.17Å; L491-V493 HydrophobicContact CG-CG2 4.14Å; L491-M520 HydrophobicContact CD1-CE 4.42Å; L491-M520 HydrophobicContact CD1-CG 4.17Å |
| 492 | L | 97.3 | Very high | 93.8 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 128.6 | 174.4 | 172 | 62.8 | 0 | 0 | 0 | 110 | F404 I422 F444 V446 I507 I509 | F404-L492 HydrophobicContact CB-CB 4.29Å; F404-L492 PolarHBondContact N-O 2.6Å; F404-L492 PolarHBondContact O-N 3.39Å; I422-L492 HydrophobicContact CD1-CD1 4.26Å; I422-L492 HydrophobicContact CD1-CD2 4.45Å; I422-L492 HydrophobicContact CG2-CD1 4.05Å; I422-L492 HydrophobicContact CG2-CD2 3.78Å; F444-L492 HydrophobicContact CB-CD1 3.88Å; F444-L492 HydrophobicContact CD2-CD1 3.59Å; F444-L492 HydrophobicContact CE2-CD1 4.42Å; F444-L492 HydrophobicContact CG-CD1 3.96Å; V446-L492 HydrophobicContact CG2-CD1 3.95Å; L492-I507 HydrophobicContact CD2-CD1 4.13Å; L492-I507 HydrophobicContact CD2-CG2 3.84Å; L492-I509 HydrophobicContact CD2-CD1 3.93Å; L492-I509 HydrophobicContact CD2-CG1 4.35Å |
| 493 | V | 97.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 100.7 | 178.5 | -170.2 | 0 | 0 | 0 | 0 | 109.5 | F398 N401 Q403 F444 A445 Y447 F461 L491 T495 | F398-V493 HydrophobicContact CE1-CG1 4.39Å; F398-V493 HydrophobicContact CE2-CG1 4.13Å; F398-V493 HydrophobicContact CZ-CB 4.1Å; F398-V493 HydrophobicContact CZ-CG1 3.86Å; N401-V493 HydrophobicContact CB-CG1 3.84Å; Q403-V493 HydrophobicContact CG-CG2 4.3Å; F444-V493 WeakPolarHBondContact CA-O 3.5Å; A445-V493 PolarHBondContact N-O 2.99Å; A445-V493 VanDerWaalsContact N-O 3.07Å; A445-V493 PolarHBondContact O-N 2.69Å; Y447-V493 HydrophobicContact CD2-CG2 4.42Å; F461-V493 HydrophobicContact CE1-CG2 3.9Å; F461-V493 HydrophobicContact CZ-CG2 3.93Å; L491-V493 HydrophobicContact CD2-CG2 4.17Å; L491-V493 HydrophobicContact CG-CG2 4.14Å; V493-T495 HydrophobicContact CG1-CG2 3.92Å |
| 494 | P | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 135.9 | 171.3 | 35.5 | -42.6 | 0 | 0 | 0 | 111.8 | W382 P402 F404 L424 F505 I507 | W382-P494 HydrophobicContact CZ2-CB 3.96Å; W382-P494 PolarHBondContact NE1-O 3.02Å; P402-P494 WeakPolarHBondContact O-CD 3.33Å; F404-P494 HydrophobicContact CD2-CG 4.3Å; F404-P494 HydrophobicContact CE2-CG 3.83Å; L424-P494 HydrophobicContact CD1-CB 3.66Å; L424-P494 HydrophobicContact CD2-CB 3.8Å; L424-P494 HydrophobicContact CG-CB 4.37Å; P494-F505 HydrophobicContact CB-CE2 4.37Å; P494-F505 HydrophobicContact CB-CZ 4.49Å; P494-F505 HydrophobicContact CG-CE1 4.41Å; P494-F505 HydrophobicContact CG-CE2 3.87Å; P494-F505 HydrophobicContact CG-CZ 3.74Å; P494-I507 HydrophobicContact CB-CD1 3.9Å; P494-I507 HydrophobicContact CG-CD1 3.67Å |
| 495 | T | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 152.4 | -179.5 | 73.5 | 0 | 0 | 0 | 0 | 112.7 | G390 F398 N401 G443 Y473 V493 | G390-T495 WeakPolarHBondContact O-CB 3.41Å; F398-T495 HydrophobicContact CD2-CG2 3.99Å; F398-T495 HydrophobicContact CE2-CG2 3.58Å; N401-T495 HydrophobicContact CB-CG2 3.97Å; N401-T495 VanDerWaalsContact CG-CG2 3.45Å; N401-T495 VanDerWaalsContact ND2-CG2 3.33Å; N401-T495 WeakPolarHBondContact ND2-CG2 3.46Å; G443-T495 PolarHBondContact N-O 3.08Å; G443-T495 PolarHBondContact O-N 3.29Å; Y473-T495 WeakPolarHBondContact CE1-OG1 3.37Å; Y473-T495 PolarHBondContact OH-OG1 3.11Å; V493-T495 HydrophobicContact CG1-CG2 3.92Å |
| 496 | T | 97.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 161 | 153.6 | 53.4 | 0 | 0 | 0 | 0 | 110 | W382 G390 C391 E440 T441 I442 Q498 H501 | W382-T496 HydrophobicContact CD2-CG2 3.9Å; W382-T496 HydrophobicContact CE3-CG2 3.73Å; W382-T496 HydrophobicContact CG-CG2 4.33Å; W382-T496 HydrophobicContact CZ3-CG2 4.1Å; G390-T496 CarbonylContact C-O 3.39Å; G390-T496 VanDerWaalsContact C-O 3.24Å; G390-T496 WeakPolarHBondContact CA-O 3.4Å; C391-T496 PolarHBondContact N-O 3.37Å; E440-T496 HydrophobicContact CB-CG2 4.28Å; T441-T496 CarbonylContact O-C 3.59Å; T441-T496 WeakPolarHBondContact O-CA 3.48Å; I442-T496 HydrophobicContact CG2-CG2 4.34Å; T496-Q498 PolarHBondContact OG1-O 2.73Å; T496-H501 HydrophobicContact CG2-CB 4.11Å |
| 497 | F | 96.1 | Very high | 94.9 | Very high | 67 Ų | 67 | 31.3 Ų | 31.3 | 29% | 0.294 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -67.5 | -53.2 | 177.3 | -173.6 | -101.3 | 0 | 0 | 0 | 111.3 | C391 Y394 T441 Y473 | C391-F497 HydrophobicContact CB-CD2 4.44Å; C391-F497 PolarHBondContact N-O 3.43Å; C391-F497 PolarHBondContact SG-O 3.24Å; Y394-F497 WeakPolarHBondContact CE2-O 3.39Å; T441-F497 HydrophobicContact CG2-CB 3.77Å; T441-F497 HydrophobicContact CG2-CG 4.34Å; T441-F497 PolarHBondContact O-N 3.23Å; Y473-F497 HydrophobicContact CD1-CB 3.81Å; Y473-F497 AromaticContact CD1-CD2 3.77Å; Y473-F497 HydrophobicContact CD1-CD2 3.77Å; Y473-F497 HydrophobicContact CD1-CG 4.3Å; Y473-F497 HydrophobicContact CD2-CD2 4.47Å; Y473-F497 HydrophobicContact CG-CB 4.49Å; Y473-F497 AromaticContact CG-CD2 3.73Å; Y473-F497 HydrophobicContact CG-CD2 3.73Å |
| 498 | Q | 95.6 | Very high | 94.8 | Very high | 71 Ų | 71 | 28.5 Ų | 28.5 | 33% | 0.332 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -88.7 | 145.3 | 175.9 | -66.4 | -62.3 | -30.9 | 0 | 0 | 110.8 | Y394 T496 | Y394-Q498 VanDerWaalsContact CZ-OE1 3.31Å; Y394-Q498 VanDerWaalsContact OH-CD 3.24Å; Y394-Q498 PolarHBondContact OH-NE2 2.84Å; Y394-Q498 PolarHBondContact OH-OE1 2.84Å; T496-Q498 PolarHBondContact OG1-O 2.73Å |
| 499 | P | 92.6 | Very high | 94.7 | Very high | 18 Ų | 18 | 27.5 Ų | 27.5 | 12% | 0.117 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 164 | 169.8 | 31.2 | -34.7 | 0 | 0 | 0 | 110.9 | A388 Y394 H501 | A388-P499 WeakPolarHBondContact O-CA 3.47Å; Y394-P499 HydrophobicContact CD1-CG 3.88Å; Y394-P499 HydrophobicContact CE1-CG 4.19Å; Y394-P499 HydrophobicContact CG-CG 4.1Å; P499-H501 PolarHBondContact O-CD2 3.09Å; P499-H501 VanDerWaalsContact O-CD2 3.31Å; P499-H501 PolarHBondContact O-N 3.22Å; P499-H501 VanDerWaalsContact O-N 3.11Å |
| 500 | H | 89.9 | Confident | 94.4 | Very high | 81 Ų | 81 | 24.4 Ų | 24.4 | 38% | 0.375 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 1.7 | 177 | -47.6 | -71.4 | 0 | 0 | 0 | 116.3 | R384 A388 | R384-H500 HydrophobicContact CG-CB 3.83Å; A388-H500 PolarHBondContact O-N 3.21Å |
| 501 | H | 91.8 | Very high | 93.9 | Very high | 75 Ų | 75 | 24 Ų | 24 | 35% | 0.347 | 12% | 0.117 | S | C | . | . | trans | -81.4 | 128.7 | 173.6 | -75.8 | -137 | 0 | 0 | 0 | 110 | A388 E440 T496 P499 | A388-H501 WeakPolarHBondContact CB-O 3.07Å; E440-H501 IonicContact OE1-ND1 3.23Å; E440-H501 IonicContact OE2-CE1 2.94Å; E440-H501 IonicContact OE2-CG 3.88Å; E440-H501 IonicContact OE2-ND1 3.94Å; E440-H501 PolarHBondContact OE2-ND1 3.32Å; T496-H501 HydrophobicContact CG2-CB 4.11Å; P499-H501 PolarHBondContact O-CD2 3.09Å; P499-H501 VanDerWaalsContact O-CD2 3.31Å; P499-H501 PolarHBondContact O-N 3.22Å; P499-H501 VanDerWaalsContact O-N 3.11Å | ||
| 502 | E | 91.4 | Very high | 93 | Very high | 89 Ų | 89 | 26 Ų | 26 | 42% | 0.416 | 13% | 0.126 | S | C | . | . | trans | -100.8 | 129.8 | -173.4 | -59.2 | -171.3 | 125.3 | 0 | 0 | 111.6 | W382 R384 R429 | W382-E502 WeakPolarHBondContact O-CA 3.33Å; R384-E502 HydrophobicContact CB-CG 3.77Å; R384-E502 VanDerWaalsContact CB-OE1 3.29Å; R384-E502 WeakPolarHBondContact CB-OE1 3.45Å; R384-E502 PolarHBondContact N-OE1 2.92Å; R429-E502 PolarHBondContact NH1-O 3.49Å | ||
| 503 | A | 93.4 | Very high | 92.2 | Very high | 8 Ų | 8 | 28.6 Ų | 28.6 | 7% | 0.066 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 145.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | N381 W382 E440 | N381-A503 WeakPolarHBondContact CA-O 3.49Å; W382-A503 HydrophobicContact CE3-CB 3.83Å; W382-A503 HydrophobicContact CZ3-CB 4.12Å; W382-A503 PolarHBondContact N-O 2.99Å; W382-A503 PolarHBondContact O-N 3.33Å; E440-A503 HydrophobicContact CG-CB 4.29Å |
| 504 | D | 94.1 | Very high | 91.5 | Very high | 76 Ų | 76 | 34.6 Ų | 34.6 | 41% | 0.406 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 144.4 | 164.1 | -68.9 | -29.5 | 0 | 0 | 0 | 109.5 | N381 Q426 K427 | N381-D504 WeakPolarHBondContact CB-OD1 3.21Å; Q426-D504 CarbonylContact C-O 3.31Å; Q426-D504 WeakPolarHBondContact CA-O 3.49Å; K427-D504 HydrophobicContact CB-CB 3.97Å; K427-D504 HydrophobicContact CD-CB 4.08Å; K427-D504 HydrophobicContact CG-CB 4.32Å; K427-D504 PolarHBondContact N-O 2.94Å |
| 505 | F | 95.6 | Very high | 91 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 162.9 | 178.4 | 68.7 | -99 | 0 | 0 | 0 | 113.5 | G380 N381 W382 P402 F404 L424 M425 P494 I507 | G380-F505 VanDerWaalsContact C-CE1 3.45Å; G380-F505 PolarHBondContact N-O 2.79Å; G380-F505 PolarHBondContact O-N 3.13Å; N381-F505 VanDerWaalsContact N-CE1 3.31Å; W382-F505 AromaticContact CD2-CD1 3.63Å; W382-F505 HydrophobicContact CD2-CD1 3.63Å; W382-F505 HydrophobicContact CD2-CE1 4.01Å; W382-F505 AromaticContact CE2-CD1 3.59Å; W382-F505 AromaticContact CE2-CE1 3.78Å; W382-F505 HydrophobicContact CE3-CB 4.39Å; W382-F505 AromaticContact CE3-CD1 3.71Å; W382-F505 HydrophobicContact CE3-CD1 3.71Å; W382-F505 HydrophobicContact CE3-CG 4.48Å; W382-F505 HydrophobicContact CG-CD1 4.34Å; W382-F505 HydrophobicContact CG-CE1 4.35Å; W382-F505 HydrophobicContact CH2-CB 3.77Å; W382-F505 AromaticContact CH2-CD1 3.83Å; W382-F505 HydrophobicContact CH2-CD1 3.83Å; W382-F505 AromaticContact CH2-CG 3.96Å; W382-F505 HydrophobicContact CH2-CG 3.96Å; W382-F505 HydrophobicContact CZ2-CB 4.43Å; W382-F505 AromaticContact CZ2-CD1 3.71Å; W382-F505 HydrophobicContact CZ2-CD1 3.71Å; W382-F505 HydrophobicContact CZ2-CE1 4.17Å; W382-F505 HydrophobicContact CZ2-CG 4.12Å; W382-F505 HydrophobicContact CZ3-CB 3.74Å; W382-F505 AromaticContact CZ3-CD1 3.82Å; W382-F505 HydrophobicContact CZ3-CD1 3.82Å; W382-F505 HydrophobicContact CZ3-CG 4.14Å; W382-F505 AromaticContact NE1-CE1 3.9Å; P402-F505 HydrophobicContact CB-CZ 3.91Å; P402-F505 HydrophobicContact CG-CE1 3.93Å; P402-F505 HydrophobicContact CG-CZ 3.79Å; F404-F505 HydrophobicContact CE2-CE2 4.18Å; F404-F505 HydrophobicContact CE2-CZ 4.3Å; F404-F505 HydrophobicContact CZ-CE2 4.18Å; F404-F505 HydrophobicContact CZ-CZ 4.37Å; L424-F505 HydrophobicContact CD1-CB 3.96Å; L424-F505 HydrophobicContact CD1-CD2 3.79Å; L424-F505 HydrophobicContact CD1-CG 4.02Å; M425-F505 CarbonylContact O-C 3.58Å; M425-F505 WeakPolarHBondContact O-CA 3.25Å; M425-F505 VanDerWaalsContact O-CB 3.29Å; M425-F505 WeakPolarHBondContact O-CB 3.16Å; P494-F505 HydrophobicContact CB-CE2 4.37Å; P494-F505 HydrophobicContact CB-CZ 4.49Å; P494-F505 HydrophobicContact CG-CE1 4.41Å; P494-F505 HydrophobicContact CG-CE2 3.87Å; P494-F505 HydrophobicContact CG-CZ 3.74Å; F505-I507 HydrophobicContact CD2-CD1 4.31Å; F505-I507 HydrophobicContact CD2-CG1 4.04Å; F505-I507 HydrophobicContact CE2-CD1 3.83Å; F505-I507 HydrophobicContact CE2-CG1 4.05Å |
| 506 | L | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 130.2 | 172.8 | -177.4 | 79.1 | 0 | 0 | 0 | 108.2 | W132 N135 V377 F378 E379 M425 K427 R508 | W132-L506 HydrophobicContact CH2-CD2 4.15Å; N135-L506 HydrophobicContact CB-CD2 4.32Å; V377-L506 HydrophobicContact CG1-CD1 3.47Å; V377-L506 VanDerWaalsContact CG1-CD1 3.47Å; V377-L506 HydrophobicContact CG1-CG 4.19Å; F378-L506 CarbonylContact O-C 3.41Å; F378-L506 WeakPolarHBondContact O-CA 3.39Å; E379-L506 HydrophobicContact CG-CD1 3.58Å; M425-L506 HydrophobicContact CB-CB 4.35Å; M425-L506 PolarHBondContact N-O 3.5Å; M425-L506 PolarHBondContact O-N 2.81Å; K427-L506 HydrophobicContact CD-CB 4.47Å; L506-R508 HydrophobicContact CD2-CG 4.11Å; L506-R508 HydrophobicContact CG-CG 4.31Å |
| 507 | I | 94.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 134.1 | 168.6 | -66.8 | 167.7 | 0 | 0 | 0 | 108.8 | V377 F378 F404 A423 L424 L492 P494 F505 I509 | V377-I507 CarbonylContact C-O 3.6Å; V377-I507 VanDerWaalsContact CA-O 3.31Å; V377-I507 WeakPolarHBondContact CA-O 3.35Å; F378-I507 HydrophobicContact CB-CB 4.39Å; F378-I507 PolarHBondContact N-O 2.96Å; F378-I507 PolarHBondContact O-N 3.48Å; F404-I507 HydrophobicContact CD2-CD1 3.64Å; F404-I507 HydrophobicContact CE2-CD1 3.47Å; F404-I507 VanDerWaalsContact CE2-CD1 3.47Å; F404-I507 HydrophobicContact CG-CD1 4.38Å; F404-I507 HydrophobicContact CZ-CD1 4.07Å; A423-I507 CarbonylContact O-C 3.57Å; A423-I507 VanDerWaalsContact O-CA 3.31Å; A423-I507 WeakPolarHBondContact O-CA 3.24Å; L424-I507 HydrophobicContact CD1-CD1 4.47Å; L424-I507 HydrophobicContact CD1-CG1 3.74Å; L492-I507 HydrophobicContact CD2-CD1 4.13Å; L492-I507 HydrophobicContact CD2-CG2 3.84Å; P494-I507 HydrophobicContact CB-CD1 3.9Å; P494-I507 HydrophobicContact CG-CD1 3.67Å; F505-I507 HydrophobicContact CD2-CD1 4.31Å; F505-I507 HydrophobicContact CD2-CG1 4.04Å; F505-I507 HydrophobicContact CE2-CD1 3.83Å; F505-I507 HydrophobicContact CE2-CG1 4.05Å; I507-I509 HydrophobicContact CG2-CD1 4.25Å; I507-I509 HydrophobicContact CG2-CG1 3.71Å |
| 508 | R | 92.6 | Very high | 90.2 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 1% | 0.011 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 124 | 167.7 | -58.1 | -178.5 | -72.1 | 163.7 | 1.3 | 108.9 | W132 G197 G198 N376 V377 A423 E478 L506 F510 | W132-R508 VanDerWaalsContact CH2-NH1 3.3Å; G197-R508 PolarHBondContact O-NH1 3.4Å; G198-R508 PolarHBondContact O-NH1 2.8Å; G198-R508 PolarHBondContact O-NH2 2.75Å; G198-R508 VanDerWaalsContact O-NH2 3.14Å; N376-R508 WeakPolarHBondContact O-CA 3.47Å; V377-R508 HydrophobicContact CG1-CG 4.37Å; V377-R508 HydrophobicContact CG2-CG 4.25Å; A423-R508 HydrophobicContact CB-CB 4.34Å; A423-R508 PolarHBondContact N-O 3.07Å; A423-R508 PolarHBondContact O-N 3.11Å; E478-R508 VanDerWaalsContact CD-NH2 3.28Å; E478-R508 IonicContact OE1-NH2 3.89Å; E478-R508 PolarHBondContact OE1-NH2 3.41Å; E478-R508 IonicContact OE2-CZ 3.08Å; E478-R508 IonicContact OE2-NE 3.37Å; E478-R508 IonicContact OE2-NH2 2.64Å; E478-R508 PolarHBondContact OE2-NH2 3.07Å; L506-R508 HydrophobicContact CD2-CG 4.11Å; L506-R508 HydrophobicContact CG-CG 4.31Å; R508-F510 HydrophobicContact CB-CD2 4.36Å; R508-F510 HydrophobicContact CB-CE2 3.51Å; R508-F510 HydrophobicContact CB-CZ 3.92Å |
| 509 | I | 91.7 | Very high | 90 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 115 | 177.5 | -50.4 | 177.8 | 0 | 0 | 0 | 107.4 | V375 N376 F378 L406 V420 V421 I422 L492 I507 A517 | V375-I509 WeakPolarHBondContact CA-O 3.32Å; N376-I509 HydrophobicContact CB-CB 4.33Å; N376-I509 PolarHBondContact N-O 3.07Å; N376-I509 PolarHBondContact O-N 3.28Å; F378-I509 HydrophobicContact CE2-CD1 4.26Å; L406-I509 HydrophobicContact CD1-CD1 4.42Å; L406-I509 HydrophobicContact CD1-CG2 4.13Å; L406-I509 HydrophobicContact CD2-CG2 4.24Å; V420-I509 HydrophobicContact CG1-CG2 3.62Å; V421-I509 WeakPolarHBondContact O-CA 3.47Å; I422-I509 HydrophobicContact CG1-CG2 4.32Å; L492-I509 HydrophobicContact CD2-CD1 3.93Å; L492-I509 HydrophobicContact CD2-CG1 4.35Å; I507-I509 HydrophobicContact CG2-CD1 4.25Å; I507-I509 HydrophobicContact CG2-CG1 3.71Å; I509-A517 HydrophobicContact CD1-CB 4.13Å |
| 510 | F | 87.1 | Confident | 89.8 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 129.3 | 177.4 | -55.1 | -100.9 | 0 | 0 | 0 | 109.3 | V199 W373 E374 V375 V420 V421 A423 R508 | V199-F510 HydrophobicContact CB-CD2 4.41Å; V199-F510 HydrophobicContact CB-CE1 4.43Å; V199-F510 HydrophobicContact CB-CE2 3.71Å; V199-F510 HydrophobicContact CB-CZ 3.73Å; V199-F510 HydrophobicContact CG1-CD2 4.46Å; V199-F510 HydrophobicContact CG1-CE1 4.38Å; V199-F510 HydrophobicContact CG1-CE2 4.17Å; V199-F510 HydrophobicContact CG1-CZ 4.14Å; V199-F510 HydrophobicContact CG2-CD2 4.2Å; V199-F510 HydrophobicContact CG2-CE2 3.64Å; V199-F510 HydrophobicContact CG2-CZ 4.2Å; W373-F510 HydrophobicContact CB-CD1 4.36Å; W373-F510 HydrophobicContact CD2-CB 4.33Å; W373-F510 HydrophobicContact CE3-CB 3.85Å; E374-F510 CarbonylContact O-C 3.47Å; E374-F510 VanDerWaalsContact O-CA 3.28Å; E374-F510 WeakPolarHBondContact O-CA 3.44Å; V375-F510 HydrophobicContact CB-CD1 4.36Å; V375-F510 HydrophobicContact CB-CE1 4.4Å; V375-F510 HydrophobicContact CG1-CD1 4.07Å; V375-F510 HydrophobicContact CG1-CE1 3.81Å; V375-F510 HydrophobicContact CG1-CZ 4.14Å; V375-F510 HydrophobicContact CG2-CD1 3.52Å; V375-F510 HydrophobicContact CG2-CE1 3.65Å; V375-F510 HydrophobicContact CG2-CG 4.49Å; V420-F510 CarbonylContact C-O 3.6Å; V420-F510 VanDerWaalsContact CA-O 3.28Å; V420-F510 WeakPolarHBondContact CA-O 3.4Å; V421-F510 HydrophobicContact CB-CB 4.13Å; V421-F510 HydrophobicContact CB-CD2 4.28Å; V421-F510 PolarHBondContact N-O 3.17Å; V421-F510 PolarHBondContact O-N 2.97Å; A423-F510 HydrophobicContact CB-CE2 4.47Å; R508-F510 HydrophobicContact CB-CD2 4.36Å; R508-F510 HydrophobicContact CB-CE2 3.51Å; R508-F510 HydrophobicContact CB-CZ 3.92Å |
| 511 | S | 85.1 | Confident | 89.4 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.028 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 146.1 | 174.3 | 55.4 | 0 | 0 | 0 | 0 | 111.4 | E374 K513 A515 | E374-S511 PolarHBondContact N-O 2.74Å; E374-S511 PolarHBondContact O-N 3.43Å; S511-K513 VanDerWaalsContact CB-O 3.25Å; S511-K513 WeakPolarHBondContact CB-O 3.47Å; S511-K513 PolarHBondContact OG-O 3Å; S511-A515 VanDerWaalsContact OG-CB 3.28Å; S511-A515 WeakPolarHBondContact OG-CB 3.44Å |
| 512 | E | 77.4 | Confident | 88.9 | Confident | 42 Ų | 42 | 35.4 Ų | 35.4 | 20% | 0.196 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -73 | -37.1 | 178 | 176.2 | 163.5 | -179.7 | 0 | 0 | 111.5 | R371 W373 S419 | R371-E512 WeakPolarHBondContact CD-OE1 3.19Å; R371-E512 IonicContact CZ-OE1 3.58Å; R371-E512 IonicContact NE-OE1 2.78Å; R371-E512 IonicContact NH1-OE1 3.4Å; R371-E512 PolarHBondContact NH1-OE1 3.14Å; R371-E512 IonicContact NH1-OE2 3.43Å; W373-E512 HydrophobicContact CZ3-CB 4.17Å; S419-E512 PolarHBondContact O-N 2.85Å |
| 513 | K | 82.1 | Confident | 88.4 | Confident | 57 Ų | 57 | 35.1 Ų | 35.1 | 25% | 0.248 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -104.8 | 171.8 | 171.3 | -62.2 | -57.6 | -169.2 | -177.3 | 0 | 111.8 | D410 D413 S511 A515 | D410-K513 HydrophobicContact CB-CB 4.14Å; D410-K513 HydrophobicContact CB-CG 4.24Å; D413-K513 WeakPolarHBondContact OD1-CE 3.43Å; D413-K513 IonicContact OD1-NZ 2.74Å; D413-K513 PolarHBondContact OD1-NZ 3.43Å; D413-K513 IonicContact OD2-NZ 2.83Å; D413-K513 PolarHBondContact OD2-NZ 2.92Å; S511-K513 VanDerWaalsContact CB-O 3.25Å; S511-K513 WeakPolarHBondContact CB-O 3.47Å; S511-K513 PolarHBondContact OG-O 3Å; K513-A515 PolarHBondContact O-N 2.83Å |
| 514 | K | 83.1 | Confident | 88 | Confident | 127 Ų | 127 | 37.9 Ų | 37.9 | 55% | 0.552 | 19% | 0.194 | S | C | * | . | trans | -64 | 118.8 | -178.3 | -163.7 | 177.9 | -179.3 | 179.6 | 0 | 111.3 | E374 | E374-K514 VanDerWaalsContact OE2-C 3.3Å; E374-K514 WeakPolarHBondContact OE2-CA 3.46Å; E374-K514 WeakPolarHBondContact OE2-CG 3.33Å | ||
| 515 | A | 87.3 | Confident | 87.6 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 131.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E374 N376 L406 Q407 L408 S511 K513 | E374-A515 PolarHBondContact OE2-N 2.97Å; N376-A515 PolarHBondContact ND2-O 3.03Å; L406-A515 HydrophobicContact CD1-CB 3.97Å; Q407-A515 WeakPolarHBondContact O-CA 3.2Å; L408-A515 HydrophobicContact CD2-CB 3.7Å; S511-A515 VanDerWaalsContact OG-CB 3.28Å; S511-A515 WeakPolarHBondContact OG-CB 3.44Å; K513-A515 PolarHBondContact O-N 2.83Å |
| 516 | E | 90.9 | Very high | 87.2 | Confident | 90 Ų | 90 | 39.3 Ų | 39.3 | 42% | 0.421 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 124.2 | 175.3 | -75.6 | 165.6 | -166.7 | 0 | 0 | 108.9 | L406 Q407 K409 | L406-E516 CarbonylContact C-O 3.41Å; Q407-E516 HydrophobicContact CB-CB 4.29Å; Q407-E516 PolarHBondContact N-O 2.79Å; Q407-E516 PolarHBondContact O-N 2.74Å; Q407-E516 VanDerWaalsContact O-N 3.09Å; K409-E516 WeakPolarHBondContact CE-OE2 3.08Å; K409-E516 IonicContact NZ-OE1 3.01Å; K409-E516 PolarHBondContact NZ-OE1 2.86Å; K409-E516 IonicContact NZ-OE2 2.74Å; K409-E516 PolarHBondContact NZ-OE2 2.92Å |
| 517 | A | 91.6 | Very high | 86.7 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 8% | 0.083 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 140.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | N376 F378 R405 L406 I509 | N376-A517 HydrophobicContact CB-CB 3.92Å; F378-A517 HydrophobicContact CE2-CB 3.52Å; F378-A517 HydrophobicContact CZ-CB 3.5Å; F378-A517 VanDerWaalsContact CZ-CB 3.5Å; F378-A517 WeakPolarHBondContact CZ-O 3.47Å; R405-A517 CarbonylContact O-C 3.4Å; R405-A517 VanDerWaalsContact O-CA 3.25Å; R405-A517 WeakPolarHBondContact O-CA 3.33Å; L406-A517 HydrophobicContact CD1-CB 4.07Å; I509-A517 HydrophobicContact CD1-CB 4.13Å |
| 518 | I | 91.6 | Very high | 86 | Confident | 88 Ų | 88 | 46.7 Ų | 46.7 | 45% | 0.451 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 146.7 | 177.2 | 56 | 172.8 | 0 | 0 | 0 | 111.7 | F404 R405 | F404-I518 CarbonylContact C-O 3.24Å; F404-I518 WeakPolarHBondContact CA-O 3.39Å; R405-I518 HydrophobicContact CB-CG1 4.1Å; R405-I518 PolarHBondContact N-O 2.9Å; R405-I518 PolarHBondContact O-N 2.83Å |
| 519 | E | 90.6 | Very high | 84.9 | Confident | 61 Ų | 61 | 50.7 Ų | 50.7 | 29% | 0.285 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 134 | 172 | -172.6 | -178.9 | 179.3 | 0 | 0 | 110.7 | F404 T522 | F404-E519 HydrophobicContact CD1-CB 4Å; F404-E519 HydrophobicContact CD1-CG 4.2Å; F404-E519 HydrophobicContact CE1-CB 3.87Å; F404-E519 HydrophobicContact CE1-CG 3.75Å; F404-E519 HydrophobicContact CZ-CG 4.36Å; E519-T522 HydrophobicContact CB-CG2 3.96Å; E519-T522 HydrophobicContact CG-CG2 3.86Å |
| 520 | M | 88.8 | Confident | 83.3 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.02 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -87.8 | 152.5 | -178.3 | -60.3 | -70.6 | -79.2 | 0 | 0 | 111.2 | Q403 R405 E453 D454 L491 T522 | Q403-M520 HydrophobicContact CB-CB 3.72Å; Q403-M520 HydrophobicContact CB-CG 3.95Å; Q403-M520 WeakPolarHBondContact O-CB 3.44Å; Q403-M520 VanDerWaalsContact O-CG 3.3Å; Q403-M520 WeakPolarHBondContact O-CG 3.35Å; Q403-M520 PolarHBondContact O-N 3.2Å; R405-M520 HydrophobicContact CB-CG 4.2Å; R405-M520 HydrophobicContact CB-SD 3.54Å; R405-M520 VanDerWaalsContact CB-SD 3.54Å; R405-M520 HydrophobicContact CG-SD 4.46Å; R405-M520 VanDerWaalsContact CZ-CE 3.43Å; R405-M520 PolarHBondContact NH1-SD 2.86Å; R405-M520 PolarHBondContact NH2-SD 3.1Å; E453-M520 WeakPolarHBondContact O-CE 3.35Å; D454-M520 CarbonylContact O-C 3.46Å; D454-M520 WeakPolarHBondContact O-CA 3.36Å; D454-M520 VanDerWaalsContact O-CB 3.3Å; D454-M520 WeakPolarHBondContact O-CB 3.25Å; D454-M520 VanDerWaalsContact O-CE 3.25Å; D454-M520 WeakPolarHBondContact O-CE 3.39Å; L491-M520 HydrophobicContact CD1-CE 4.42Å; L491-M520 HydrophobicContact CD1-CG 4.17Å; M520-T522 VanDerWaalsContact C-N 3.33Å; M520-T522 PolarHBondContact O-N 2.83Å |
| 521 | G | 81.5 | Confident | 81.6 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 7% | 0.072 | 31% | 0.313 | C | S | . | . | S | Bend | trans | 68.7 | 28.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | D454 N691 | D454-G521 PolarHBondContact O-N 3.41Å; G521-N691 VanDerWaalsContact O-CA 3.3Å; G521-N691 WeakPolarHBondContact O-CA 3.48Å; G521-N691 VanDerWaalsContact O-CB 3.31Å; G521-N691 WeakPolarHBondContact O-CB 3.41Å |
| 522 | T | 81.1 | Confident | 79.7 | Confident | 68 Ų | 68 | 65 Ų | 65 | 42% | 0.417 | 34% | 0.341 | S | S | . | . | trans | -87.6 | -18.3 | 179.1 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | E519 M520 | E519-T522 HydrophobicContact CB-CG2 3.96Å; E519-T522 HydrophobicContact CG-CG2 3.86Å; M520-T522 VanDerWaalsContact C-N 3.33Å; M520-T522 PolarHBondContact O-N 2.83Å | ||
| 523 | N | 80.9 | Confident | 77.9 | Confident | 84 Ų | 84 | 69.5 Ų | 69.5 | 45% | 0.449 | 36% | 0.36 | S | S | . | . | trans | -67.7 | 133.1 | 179.3 | -72.8 | -20.8 | 0 | 0 | 0 | 111.5 | D454 N689 | D454-N523 PolarHBondContact OD2-ND2 2.96Å; N523-N689 PolarHBondContact O-ND2 3.5Å | ||
| 524 | V | 86.4 | Confident | 75.9 | Confident | 65 Ų | 65 | 70.4 Ų | 70.4 | 39% | 0.394 | 37% | 0.373 | S | S | . | . | trans | -117.4 | 117.8 | 172.4 | -178.8 | 0 | 0 | 0 | 0 | 107.6 | N689 L690 N691 L694 F725 | V524-N689 WeakPolarHBondContact CA-O 3.49Å; V524-L690 HydrophobicContact CG1-CD2 4.28Å; V524-N691 HydrophobicContact CG2-CB 3.93Å; V524-L694 HydrophobicContact CB-CD1 4.39Å; V524-L694 HydrophobicContact CG1-CD1 3.71Å; V524-L694 HydrophobicContact CG2-CD1 3.7Å; V524-F725 HydrophobicContact CG1-CE1 4.03Å; V524-F725 HydrophobicContact CG1-CZ 3.93Å | ||
| 525 | D | 84.9 | Confident | 73.9 | Confident | 103 Ų | 103 | 67.7 Ų | 67.7 | 55% | 0.551 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 161.6 | -179.1 | -164.1 | 8.7 | 0 | 0 | 0 | 110.4 | N689 | D525-N689 PolarHBondContact N-O 2.67Å; D525-N689 PolarHBondContact O-N 2.99Å |
| 526 | A | 86.3 | Confident | 71.8 | Confident | 4 Ų | 4 | 69.4 Ų | 69.4 | 3% | 0.033 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 114.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L528 G687 M688 F725 Q729 | A526-L528 HydrophobicContact CB-CD1 4.1Å; A526-L528 HydrophobicContact CB-CG 3.92Å; A526-L528 PolarHBondContact O-N 2.83Å; A526-G687 CarbonylContact C-O 3.6Å; A526-G687 WeakPolarHBondContact CA-O 3.43Å; A526-M688 HydrophobicContact CB-CG 3.96Å; A526-F725 HydrophobicContact CB-CB 3.98Å; A526-F725 HydrophobicContact CB-CD1 3.39Å; A526-F725 HydrophobicContact CB-CD2 3.7Å; A526-F725 HydrophobicContact CB-CE1 3.65Å; A526-F725 HydrophobicContact CB-CE2 3.95Å; A526-F725 HydrophobicContact CB-CG 3.42Å; A526-F725 VanDerWaalsContact CB-CG 3.42Å; A526-F725 HydrophobicContact CB-CZ 3.92Å; A526-Q729 PolarHBondContact O-NE2 3.43Å |
| 527 | D | 85.4 | Confident | 69.5 | Low | 138 Ų | 138 | 68.4 Ų | 68.4 | 74% | 0.738 | 37% | 0.37 | S | S | * | . | trans | -88.2 | 78.1 | 169.4 | -172 | 16.7 | 0 | 0 | 0 | 109.4 | G687 | D527-G687 PolarHBondContact N-O 3.01Š| ||
| 528 | L | 79 | Confident | 67.1 | Low | 18 Ų | 18 | 76.2 Ų | 76.2 | 9% | 0.094 | 40% | 0.397 | C | S | . | . | trans | -92.1 | 137 | 179.7 | -62.9 | 170 | 0 | 0 | 0 | 109.6 | A526 E530 M688 E722 F725 R726 | A526-L528 HydrophobicContact CB-CD1 4.1Å; A526-L528 HydrophobicContact CB-CG 3.92Å; A526-L528 PolarHBondContact O-N 2.83Å; L528-E530 PolarHBondContact O-N 2.87Å; L528-M688 HydrophobicContact CD2-CG 4.01Å; L528-E722 HydrophobicContact CD1-CG 3.96Å; L528-E722 HydrophobicContact CD2-CG 4.34Å; L528-F725 HydrophobicContact CD1-CB 3.76Å; L528-R726 HydrophobicContact CD1-CG 4.07Å | ||
| 529 | P | 70.8 | Confident | 64.7 | Low | 87 Ų | 87 | 73.5 Ų | 73.5 | 57% | 0.565 | 39% | 0.388 | S | S | * | . | trans | -51.9 | 135.3 | 175 | -24.7 | 31.8 | 0 | 0 | 0 | 111.4 | V531 R726 | P529-V531 PolarHBondContact O-N 2.85Å; P529-R726 PolarHBondContact O-NH1 3.46Å; P529-R726 PolarHBondContact O-NH2 3.16Å | ||
| 530 | E | 57.1 | Low | 62.4 | Low | 155 Ų | 155 | 73.3 Ų | 73.3 | 72% | 0.724 | 39% | 0.391 | S | S | * | . | trans | -57.1 | 115.1 | 178.2 | -77.4 | -160.4 | 148.2 | 0 | 0 | 109.6 | L528 K533 | L528-E530 PolarHBondContact O-N 2.87Å; E530-K533 WeakPolarHBondContact OE1-CE 3.18Å; E530-K533 IonicContact OE1-NZ 2.73Å; E530-K533 PolarHBondContact OE1-NZ 2.77Å | ||
| 531 | V | 52.8 | Low | 60.1 | Low | 39 Ų | 39 | 79.3 Ų | 79.3 | 24% | 0.236 | 42% | 0.417 | C | S | . | . | trans | -91.4 | 130 | 160.8 | 179.1 | 0 | 0 | 0 | 0 | 105.2 | P529 K533 I536 | P529-V531 PolarHBondContact O-N 2.85Å; V531-K533 PolarHBondContact O-N 2.79Å; V531-I536 HydrophobicContact CB-CD1 4.33Å | ||
| 532 | N | 45.1 | Very low | 58.3 | Low | 116 Ų | 116 | 83.2 Ų | 83.2 | 62% | 0.62 | 44% | 0.435 | S | S | * | . | trans | -32.3 | 109.8 | -174.8 | -129.5 | -29.5 | 0 | 0 | 0 | 111.8 | S534 L535 | N532-S534 PolarHBondContact O-N 3.31Å; N532-L535 HydrophobicContact CB-CD1 3.81Å; N532-L535 HydrophobicContact CB-CG 4.33Å; N532-L535 WeakPolarHBondContact O-CB 3.33Å; N532-L535 PolarHBondContact O-N 2.87Å | ||
| 533 | K | 39.4 | Very low | 56.3 | Low | 137 Ų | 137 | 82.4 Ų | 82.4 | 60% | 0.596 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -52.3 | -23.8 | -174.2 | -78.8 | 168.5 | 168.7 | 146.7 | 0 | 113.3 | E530 V531 L535 I537 | E530-K533 WeakPolarHBondContact OE1-CE 3.18Å; E530-K533 IonicContact OE1-NZ 2.73Å; E530-K533 PolarHBondContact OE1-NZ 2.77Å; V531-K533 PolarHBondContact O-N 2.79Å; K533-L535 VanDerWaalsContact C-N 3.33Å; K533-L535 PolarHBondContact O-N 2.84Å; K533-I537 WeakPolarHBondContact O-CB 3.44Å; K533-I537 VanDerWaalsContact O-CD1 3.23Å; K533-I537 WeakPolarHBondContact O-CD1 3.39Å; K533-I537 WeakPolarHBondContact O-CG1 3.25Å; K533-I537 PolarHBondContact O-N 2.79Å |
| 534 | S | 39.8 | Very low | 54.2 | Low | 76 Ų | 76 | 81 Ų | 81 | 53% | 0.531 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.3 | -24.2 | 175.1 | 55.2 | 0 | 0 | 0 | 0 | 115.1 | N532 | N532-S534 PolarHBondContact O-N 3.31Å |
| 535 | L | 39.9 | Very low | 51.7 | Low | 70 Ų | 70 | 87.6 Ų | 87.6 | 37% | 0.366 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -81.4 | -52.4 | -179 | -75.6 | 164.9 | 0 | 0 | 0 | 110.8 | N532 K533 I537 R538 V638 | N532-L535 HydrophobicContact CB-CD1 3.81Å; N532-L535 HydrophobicContact CB-CG 4.33Å; N532-L535 WeakPolarHBondContact O-CB 3.33Å; N532-L535 PolarHBondContact O-N 2.87Å; K533-L535 VanDerWaalsContact C-N 3.33Å; K533-L535 PolarHBondContact O-N 2.84Å; L535-I537 PolarHBondContact O-N 3.46Å; L535-R538 WeakPolarHBondContact O-CB 3.4Å; L535-R538 PolarHBondContact O-N 3.15Å; L535-R538 VanDerWaalsContact O-N 3.13Å; L535-V638 VanDerWaalsContact C-CG1 3.47Å; L535-V638 HydrophobicContact CB-CG1 3.76Å; L535-V638 HydrophobicContact CB-CG2 4.36Å; L535-V638 HydrophobicContact CD2-CB 4.41Å; L535-V638 HydrophobicContact CD2-CG1 3.82Å; L535-V638 HydrophobicContact CG-CG1 4.4Å; L535-V638 WeakPolarHBondContact O-CG1 3.48Å |
| 536 | I | 44.5 | Very low | 49.3 | Very low | 38 Ų | 38 | 90.5 Ų | 90.5 | 20% | 0.195 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -66.1 | -36 | -178.7 | -58.8 | 171 | 0 | 0 | 0 | 112.2 | V531 R538 A539 R726 A730 | V531-I536 HydrophobicContact CB-CD1 4.33Å; I536-R538 PolarHBondContact O-N 3.49Å; I536-A539 PolarHBondContact O-N 2.77Å; I536-R726 HydrophobicContact CD1-CB 4.38Å; I536-R726 HydrophobicContact CD1-CG 4.49Å; I536-A730 HydrophobicContact CG2-CB 3.65Å |
| 537 | I | 42.8 | Very low | 46.8 | Very low | 68 Ų | 68 | 99 Ų | 99 | 35% | 0.349 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -23.2 | 178 | -69.2 | 172.7 | 0 | 0 | 0 | 111.9 | K533 L535 K541 | K533-I537 WeakPolarHBondContact O-CB 3.44Å; K533-I537 VanDerWaalsContact O-CD1 3.23Å; K533-I537 WeakPolarHBondContact O-CD1 3.39Å; K533-I537 WeakPolarHBondContact O-CG1 3.25Å; K533-I537 PolarHBondContact O-N 2.79Å; L535-I537 PolarHBondContact O-N 3.46Å; I537-K541 HydrophobicContact CG2-CD 3.69Å; I537-K541 HydrophobicContact CG2-CG 4.19Å; I537-K541 VanDerWaalsContact O-CB 3.27Å; I537-K541 WeakPolarHBondContact O-CB 3.44Å; I537-K541 WeakPolarHBondContact O-CG 3.33Å; I537-K541 PolarHBondContact O-N 3.27Å; I537-K541 VanDerWaalsContact O-N 3.11Å |
| 538 | R | 40.8 | Very low | 44.3 | Very low | 174 Ų | 174 | 100 Ų | 100 | 66% | 0.657 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72.3 | -42.9 | 178 | -115.1 | 178.2 | 175.4 | -177.7 | -2.3 | 112 | L535 I536 V540 K541 I542 | L535-R538 WeakPolarHBondContact O-CB 3.4Å; L535-R538 PolarHBondContact O-N 3.15Å; L535-R538 VanDerWaalsContact O-N 3.13Å; I536-R538 PolarHBondContact O-N 3.49Å; R538-V540 PolarHBondContact O-N 2.93Å; R538-K541 PolarHBondContact O-N 3.17Å; R538-I542 WeakPolarHBondContact O-CD1 3.33Å; R538-I542 VanDerWaalsContact O-CG1 3.24Å; R538-I542 WeakPolarHBondContact O-CG1 3.03Å; R538-I542 PolarHBondContact O-N 3.18Å |
| 539 | A | 40 | Very low | 42 | Very low | 32 Ų | 32 | 110.8 Ų | 110.8 | 26% | 0.264 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.7 | -40.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | I536 | I536-A539 PolarHBondContact O-N 2.77Å |
| 540 | V | 42.6 | Very low | 40.3 | Very low | 57 Ų | 57 | 118.3 Ų | 118.3 | 35% | 0.345 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -75.4 | -34.2 | 177.7 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | R538 L731 | R538-V540 PolarHBondContact O-N 2.93Å; V540-L731 HydrophobicContact CG1-CD2 3.69Å |
| 541 | K | 40.4 | Very low | 38.9 | Very low | 130 Ų | 130 | 116.3 Ų | 116.3 | 57% | 0.565 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -76.9 | -23.3 | 179.9 | -79.1 | -176.6 | 179.8 | 171.1 | 0 | 114.5 | I537 R538 S543 G544 | I537-K541 HydrophobicContact CG2-CD 3.69Å; I537-K541 HydrophobicContact CG2-CG 4.19Å; I537-K541 VanDerWaalsContact O-CB 3.27Å; I537-K541 WeakPolarHBondContact O-CB 3.44Å; I537-K541 WeakPolarHBondContact O-CG 3.33Å; I537-K541 PolarHBondContact O-N 3.27Å; I537-K541 VanDerWaalsContact O-N 3.11Å; R538-K541 PolarHBondContact O-N 3.17Å; K541-S543 VanDerWaalsContact C-N 3.26Å; K541-S543 PolarHBondContact O-N 3.38Å; K541-G544 PolarHBondContact O-N 3.09Å |
| 542 | I | 43.5 | Very low | 37.9 | Very low | 88 Ų | 88 | 119.8 Ų | 119.8 | 45% | 0.451 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.5 | -26.2 | 178.1 | -69.9 | 164.5 | 0 | 0 | 0 | 111.4 | R538 G544 Y545 | R538-I542 WeakPolarHBondContact O-CD1 3.33Å; R538-I542 VanDerWaalsContact O-CG1 3.24Å; R538-I542 WeakPolarHBondContact O-CG1 3.03Å; R538-I542 PolarHBondContact O-N 3.18Å; I542-G544 PolarHBondContact O-N 2.69Å; I542-Y545 PolarHBondContact O-N 3.45Å |
| 543 | S | 39.9 | Very low | 37.2 | Very low | 51 Ų | 51 | 118.9 Ų | 118.9 | 36% | 0.357 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.6 | -17.7 | 169.2 | -179.3 | 0 | 0 | 0 | 0 | 113.8 | K541 | K541-S543 VanDerWaalsContact C-N 3.26Å; K541-S543 PolarHBondContact O-N 3.38Å |
| 544 | G | 36.9 | Very low | 36.8 | Very low | 56 Ų | 56 | 119 Ų | 119 | 58% | 0.577 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -8.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | K541 I542 | K541-G544 PolarHBondContact O-N 3.09Å; I542-G544 PolarHBondContact O-N 2.69Å |
| 545 | Y | 34.2 | Very low | 36.5 | Very low | 203 Ų | 203 | 123.6 Ų | 123.6 | 80% | 0.796 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 0.8 | -172.5 | -109.9 | -87.7 | 0 | 0 | 0 | 115.2 | I542 | I542-Y545 PolarHBondContact O-N 3.45Š|
| 546 | L | 35 | Very low | 35.9 | Very low | 163 Ų | 163 | 125.2 Ų | 125.2 | 85% | 0.853 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | 0.3 | 178.3 | -88.5 | 158.1 | 0 | 0 | 0 | 115 | ||
| 547 | E | 33.1 | Very low | 35 | Very low | 182 Ų | 182 | 128.9 Ų | 128.9 | 85% | 0.85 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -104.9 | 2.9 | -174.8 | -111.8 | -179.4 | -178.1 | 0 | 0 | 117.5 | ||
| 548 | I | 32.3 | Very low | 35.1 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 83% | 0.826 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -127.6 | 41.6 | -179.6 | -39.3 | -179.8 | 0 | 0 | 0 | 114 | ||
| 549 | R | 31.2 | Very low | 34.7 | Very low | 244 Ų | 244 | 129 Ų | 129 | 92% | 0.921 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -137.9 | 47.4 | 162.1 | -82 | -162.3 | 175.5 | -176.4 | 0.5 | 113.5 | ||
| 550 | R | 33.9 | Very low | 34.3 | Very low | 244 Ų | 244 | 132.7 Ų | 132.7 | 92% | 0.921 | 74% | 0.744 | S | S | * | * | trans | -147.2 | 76.2 | 159 | -78.4 | -164.9 | 175.8 | 163.4 | -0.7 | 112.6 | ||||
| 551 | S | 29.4 | Very low | 33.6 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -166.3 | 101.3 | 148 | 29.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 552 | S | 30.1 | Very low | 33 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | 48.7 | 120 | 143.1 | 60.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 553 | A | 32.1 | Very low | 32.3 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | -56.2 | 142.4 | 155.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 554 | T | 29.4 | Very low | 31.9 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | trans | -157.9 | 143.7 | 139.6 | 20.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 555 | L | 34.1 | Very low | 31.6 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 90% | 0.901 | 83% | 0.826 | S | S | * | * | trans | -63.1 | 142.5 | -172.1 | -69.8 | 93.7 | 0 | 0 | 0 | 114.5 | ||||
| 556 | A | 27.1 | Very low | 31.3 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 87% | 0.868 | 83% | 0.825 | S | S | * | * | -177.5 | 143.4 | 127.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 557 | S | 27 | Very low | 31 | Very low | 115 Ų | 115 | 147 Ų | 147 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -141.1 | 167.6 | 168 | 45.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 558 | P | 44.7 | Very low | 31.2 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | cis | -126.6 | -158.3 | -33.3 | 37.8 | -17.3 | 0 | 0 | 0 | 110.2 | ||||
| 559 | P | 32.3 | Very low | 31.2 | Very low | 127 Ų | 127 | 146.9 Ų | 146.9 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | -144.3 | 167.5 | 70.7 | 34.8 | -13 | 0 | 0 | 0 | 116.5 | |||||
| 560 | S | 32 | Very low | 31.5 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | -80.7 | 144.5 | -179.3 | 62.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 561 | S | 26.3 | Very low | 31.7 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -172.5 | 117.8 | 136.5 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 562 | A | 28.3 | Very low | 32.2 | Very low | 88 Ų | 88 | 137.2 Ų | 137.2 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | 57.2 | 113 | 132.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 563 | L | 29.5 | Very low | 32.5 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | 161.9 | 117.4 | 94.6 | -99.9 | 141.8 | 0 | 0 | 0 | 113.6 | |||||
| 564 | N | 30.5 | Very low | 32.9 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 81% | 0.807 | 81% | 0.814 | S | S | * | * | trans | 15 | 116.6 | 148.9 | -72.1 | -15.6 | 0 | 0 | 0 | 120.5 | ||||
| 565 | K | 31 | Very low | 33.5 | Very low | 196 Ų | 196 | 135.7 Ų | 135.7 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | trans | -127.2 | 124.6 | 133.2 | -90.3 | -177.5 | 177.3 | 177.8 | 0 | 108.8 | Y567 | K565-Y567 PolarHBondContact O-N 3.23Š| ||
| 566 | S | 27.7 | Very low | 34 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -55.8 | 118.2 | 178 | 48.8 | 0 | 0 | 0 | 0 | 111.7 | L568 | S566-L568 PolarHBondContact O-N 3.36Š| ||
| 567 | Y | 29.6 | Very low | 35.2 | Very low | 230 Ų | 230 | 137.2 Ų | 137.2 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -74.1 | 111.6 | 160.7 | -72.7 | -88.8 | 0 | 0 | 0 | 107.6 | K565 E569 | K565-Y567 PolarHBondContact O-N 3.23Å; Y567-E569 PolarHBondContact O-N 3.15Å | ||
| 568 | L | 36.8 | Very low | 36.6 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 123.6 | 154.7 | -90.4 | 129.4 | 0 | 0 | 0 | 106.7 | S566 | S566-L568 PolarHBondContact O-N 3.36Š|
| 569 | E | 33.1 | Very low | 37.4 | Very low | 177 Ų | 177 | 137.4 Ų | 137.4 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 135.4 | 169 | -75.6 | 177.8 | 157 | 0 | 0 | 109.3 | Y567 | Y567-E569 PolarHBondContact O-N 3.15Š|
| 570 | P | 37.6 | Very low | 39.6 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 142 | 170.8 | 6.4 | -2 | 0 | 0 | 0 | 109.2 | L572 | P570-L572 PolarHBondContact O-N 2.74Š|
| 571 | P | 37.8 | Very low | 41.6 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -58 | 138.9 | 175.4 | 24.8 | -31.2 | 0 | 0 | 0 | 109.1 | ||
| 572 | L | 40.1 | Very low | 44 | Very low | 163 Ų | 163 | 137 Ų | 137 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 139.2 | 174.3 | -84 | 107.7 | 0 | 0 | 0 | 109.7 | P570 S574 | P570-L572 PolarHBondContact O-N 2.74Å; L572-S574 PolarHBondContact O-N 3.07Å |
| 573 | P | 36.2 | Very low | 46.3 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 128.8 | 174.5 | 18.8 | -25.9 | 0 | 0 | 0 | 109 | ||
| 574 | S | 40.1 | Very low | 48.8 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 78% | 0.783 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 142.8 | 168.3 | 33 | 0 | 0 | 0 | 0 | 109.6 | L572 | L572-S574 PolarHBondContact O-N 3.07Š|
| 575 | A | 42.3 | Very low | 51.3 | Low | 85 Ų | 85 | 128.1 Ų | 128.1 | 70% | 0.702 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -48 | 142.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | E577 | A575-E577 PolarHBondContact O-N 3.17Š|
| 576 | P | 44.4 | Very low | 53.9 | Low | 121 Ų | 121 | 119.5 Ų | 119.5 | 79% | 0.786 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 127.5 | 179.5 | 23.6 | -31.3 | 0 | 0 | 0 | 108.6 | D578 | P576-D578 PolarHBondContact O-N 3.37Š|
| 577 | E | 50.9 | Low | 56.6 | Low | 188 Ų | 188 | 117.4 Ų | 117.4 | 88% | 0.879 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -53 | 130.6 | 170.1 | -68.2 | 178.1 | 162.9 | 0 | 0 | 107.7 | A575 E579 | A575-E577 PolarHBondContact O-N 3.17Å; E577-E579 PolarHBondContact O-N 3.3Å; E577-E579 VanDerWaalsContact O-N 3.1Å |
| 578 | D | 56.6 | Low | 59.2 | Low | 161 Ų | 161 | 113.6 Ų | 113.6 | 86% | 0.861 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 119.1 | 180 | -79.3 | -46.8 | 0 | 0 | 0 | 109.5 | P576 T580 | P576-D578 PolarHBondContact O-N 3.37Å; D578-T580 PolarHBondContact O-N 3Å |
| 579 | E | 62.6 | Low | 61.5 | Low | 74 Ų | 74 | 108.1 Ų | 108.1 | 35% | 0.346 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -54.5 | 131.4 | 177.6 | -74 | -173.5 | 163.2 | 0 | 0 | 109.9 | E577 E583 K584 R587 | E577-E579 PolarHBondContact O-N 3.3Å; E577-E579 VanDerWaalsContact O-N 3.1Å; E579-E583 WeakPolarHBondContact CA-OE2 3.5Å; E579-E583 HydrophobicContact CB-CB 4.36Å; E579-K584 HydrophobicContact CB-CG 4.21Å; E579-K584 VanDerWaalsContact O-CE 3.28Å; E579-K584 WeakPolarHBondContact O-CE 3.49Å; E579-R587 IonicContact OE1-CZ 3.24Å; E579-R587 VanDerWaalsContact OE1-CZ 3.24Å; E579-R587 IonicContact OE1-NE 3.01Å; E579-R587 PolarHBondContact OE1-NE 2.94Å; E579-R587 IonicContact OE1-NH2 2.67Å; E579-R587 PolarHBondContact OE1-NH2 2.88Å; E579-R587 IonicContact OE2-NE 3.35Å; E579-R587 PolarHBondContact OE2-NE 3.22Å |
| 580 | T | 77.9 | Confident | 64.1 | Low | 74 Ų | 74 | 100.2 Ų | 100.2 | 45% | 0.454 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -65 | 156.2 | 176.4 | 63.3 | 0 | 0 | 0 | 0 | 110.7 | D578 E582 E583 K584 | D578-T580 PolarHBondContact O-N 3Å; T580-E582 PolarHBondContact O-N 3.01Å; T580-E583 PolarHBondContact N-OE2 3.04Å; T580-E583 WeakPolarHBondContact O-CB 3.31Å; T580-E583 PolarHBondContact O-N 2.89Å; T580-E583 WeakPolarHBondContact OG1-CB 3.43Å; T580-E583 VanDerWaalsContact OG1-CD 3.24Å; T580-E583 WeakPolarHBondContact OG1-CG 3.44Å; T580-E583 PolarHBondContact OG1-N 3.42Å; T580-E583 PolarHBondContact OG1-OE2 3.21Å; T580-K584 PolarHBondContact O-N 3.45Å |
| 581 | E | 74.9 | Confident | 66.5 | Low | 126 Ų | 126 | 100.4 Ų | 100.4 | 59% | 0.589 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.1 | -33.4 | 177.9 | -68 | -59.4 | 124.1 | 0 | 0 | 112.3 | K584 D585 | E581-K584 PolarHBondContact O-N 2.58Å; E581-K584 IonicContact OE1-NZ 2.73Å; E581-K584 PolarHBondContact OE1-NZ 2.97Å; E581-D585 PolarHBondContact O-N 3.33Å; E581-D585 VanDerWaalsContact O-N 3.1Å |
| 582 | E | 76.7 | Confident | 68.8 | Low | 141 Ų | 141 | 102.2 Ų | 102.2 | 66% | 0.659 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.2 | -39.2 | 172.6 | -71.7 | -168.1 | -174.1 | 0 | 0 | 112.7 | T580 K584 D585 L586 K657 | T580-E582 PolarHBondContact O-N 3.01Å; E582-K584 VanDerWaalsContact C-N 3.34Å; E582-D585 PolarHBondContact O-N 2.76Å; E582-L586 WeakPolarHBondContact O-CB 3.48Å; E582-L586 PolarHBondContact O-N 2.92Å; E582-K657 IonicContact OE2-NZ 3.83Å |
| 583 | E | 76.7 | Confident | 70.9 | Confident | 44 Ų | 44 | 96.3 Ų | 96.3 | 21% | 0.206 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -67.3 | -35.7 | 176.7 | -76.5 | 166 | 164.1 | 0 | 0 | 111.9 | E579 T580 L586 R587 K650 | E579-E583 WeakPolarHBondContact CA-OE2 3.5Å; E579-E583 HydrophobicContact CB-CB 4.36Å; T580-E583 PolarHBondContact N-OE2 3.04Å; T580-E583 WeakPolarHBondContact O-CB 3.31Å; T580-E583 PolarHBondContact O-N 2.89Å; T580-E583 WeakPolarHBondContact OG1-CB 3.43Å; T580-E583 VanDerWaalsContact OG1-CD 3.24Å; T580-E583 WeakPolarHBondContact OG1-CG 3.44Å; T580-E583 PolarHBondContact OG1-N 3.42Å; T580-E583 PolarHBondContact OG1-OE2 3.21Å; E583-L586 PolarHBondContact O-N 2.75Å; E583-R587 VanDerWaalsContact O-CB 3.27Å; E583-R587 WeakPolarHBondContact O-CB 3.27Å; E583-R587 PolarHBondContact O-N 3.32Å; E583-K650 WeakPolarHBondContact OE1-CE 3.25Å; E583-K650 IonicContact OE1-NZ 2.57Å; E583-K650 PolarHBondContact OE1-NZ 3.22Å |
| 584 | K | 81.3 | Confident | 73.2 | Confident | 76 Ų | 76 | 90.6 Ų | 90.6 | 33% | 0.33 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | 174.5 | -68.7 | 175.6 | -169.3 | 163.6 | 0 | 111.6 | E579 T580 E581 E582 R587 R588 | E579-K584 HydrophobicContact CB-CG 4.21Å; E579-K584 VanDerWaalsContact O-CE 3.28Å; E579-K584 WeakPolarHBondContact O-CE 3.49Å; T580-K584 PolarHBondContact O-N 3.45Å; E581-K584 PolarHBondContact O-N 2.58Å; E581-K584 IonicContact OE1-NZ 2.73Å; E581-K584 PolarHBondContact OE1-NZ 2.97Å; E582-K584 VanDerWaalsContact C-N 3.34Å; K584-R587 PolarHBondContact O-N 2.76Å; K584-R588 WeakPolarHBondContact O-CG 3.43Å; K584-R588 PolarHBondContact O-N 3.45Å |
| 585 | D | 83.2 | Confident | 75.2 | Confident | 92 Ų | 92 | 87.6 Ų | 87.6 | 49% | 0.492 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.9 | -37.2 | 176.3 | -76.4 | -19.7 | 0 | 0 | 0 | 111.9 | E581 E582 R587 R588 L589 | E581-D585 PolarHBondContact O-N 3.33Å; E581-D585 VanDerWaalsContact O-N 3.1Å; E582-D585 PolarHBondContact O-N 2.76Å; D585-R587 VanDerWaalsContact C-N 3.35Å; D585-R588 PolarHBondContact O-N 3.36Å; D585-R588 IonicContact OD1-NH1 3.07Å; D585-R588 PolarHBondContact OD1-NH1 2.87Å; D585-R588 VanDerWaalsContact OD1-NH1 3.07Å; D585-L589 PolarHBondContact O-N 3.08Å |
| 586 | L | 84.6 | Confident | 77 | Confident | 15 Ų | 15 | 89.3 Ų | 89.3 | 8% | 0.079 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 173.1 | -170.9 | 64 | 0 | 0 | 0 | 112.1 | E582 E583 L589 F590 F649 K650 W653 | E582-L586 WeakPolarHBondContact O-CB 3.48Å; E582-L586 PolarHBondContact O-N 2.92Å; E583-L586 PolarHBondContact O-N 2.75Å; L586-L589 PolarHBondContact O-N 3.3Å; L586-F590 WeakPolarHBondContact O-CB 3.29Å; L586-F590 PolarHBondContact O-N 3.44Å; L586-F649 HydrophobicContact CD1-CD1 4.29Å; L586-F649 HydrophobicContact CD1-CE1 3.56Å; L586-F649 HydrophobicContact CD1-CZ 4.3Å; L586-F649 HydrophobicContact CG-CD1 4.31Å; L586-F649 HydrophobicContact CG-CE1 4Å; L586-K650 HydrophobicContact CD2-CB 4.4Å; L586-K650 HydrophobicContact CD2-CG 4.26Å; L586-W653 HydrophobicContact CD1-CB 4.08Å; L586-W653 VanDerWaalsContact CD1-CD1 3.41Å; L586-W653 HydrophobicContact CD1-CD2 3.85Å; L586-W653 HydrophobicContact CD1-CG 3.53Å; L586-W653 HydrophobicContact CD2-CB 4.12Å; L586-W653 HydrophobicContact CD2-CG 4.21Å |
| 587 | R | 84.9 | Confident | 78.8 | Confident | 68 Ų | 68 | 87.3 Ų | 87.3 | 26% | 0.257 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 174.6 | -174.8 | 178.1 | -72.6 | -73.6 | 5.1 | 111.9 | E579 E583 K584 D585 L589 F590 E591 F646 | E579-R587 IonicContact OE1-CZ 3.24Å; E579-R587 VanDerWaalsContact OE1-CZ 3.24Å; E579-R587 IonicContact OE1-NE 3.01Å; E579-R587 PolarHBondContact OE1-NE 2.94Å; E579-R587 IonicContact OE1-NH2 2.67Å; E579-R587 PolarHBondContact OE1-NH2 2.88Å; E579-R587 IonicContact OE2-NE 3.35Å; E579-R587 PolarHBondContact OE2-NE 3.22Å; E583-R587 VanDerWaalsContact O-CB 3.27Å; E583-R587 WeakPolarHBondContact O-CB 3.27Å; E583-R587 PolarHBondContact O-N 3.32Å; K584-R587 PolarHBondContact O-N 2.76Å; D585-R587 VanDerWaalsContact C-N 3.35Å; R587-L589 VanDerWaalsContact C-N 3.33Å; R587-L589 PolarHBondContact O-N 3.18Å; R587-F590 PolarHBondContact O-N 3.17Å; R587-E591 WeakPolarHBondContact O-CB 3.44Å; R587-E591 WeakPolarHBondContact O-CG 3.32Å; R587-E591 PolarHBondContact O-N 3.06Å; R587-F646 VanDerWaalsContact CA-CE2 3.41Å; R587-F646 HydrophobicContact CB-CE2 3.73Å; R587-F646 HydrophobicContact CB-CZ 3.68Å; R587-F646 HydrophobicContact CG-CE2 4.11Å; R587-F646 HydrophobicContact CG-CZ 4.11Å |
| 588 | R | 85.3 | Confident | 80.5 | Confident | 149 Ų | 149 | 86.1 Ų | 86.1 | 56% | 0.562 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -60.9 | -42.2 | 173.7 | -73.2 | 171.1 | 178.6 | 163.7 | -1.7 | 112 | K584 D585 E591 Q592 | K584-R588 WeakPolarHBondContact O-CG 3.43Å; K584-R588 PolarHBondContact O-N 3.45Å; D585-R588 PolarHBondContact O-N 3.36Å; D585-R588 IonicContact OD1-NH1 3.07Å; D585-R588 PolarHBondContact OD1-NH1 2.87Å; D585-R588 VanDerWaalsContact OD1-NH1 3.07Å; R588-E591 PolarHBondContact O-N 3.26Å; R588-Q592 WeakPolarHBondContact O-CG 3.24Å; R588-Q592 PolarHBondContact O-N 3.21Å; R588-Q592 VanDerWaalsContact O-N 3.08Å |
| 589 | L | 84.9 | Confident | 82 | Confident | 49 Ų | 49 | 78.8 Ų | 78.8 | 26% | 0.257 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 176 | -178.7 | 65.1 | 0 | 0 | 0 | 111 | D585 L586 R587 Q592 L593 W653 | D585-L589 PolarHBondContact O-N 3.08Å; L586-L589 PolarHBondContact O-N 3.3Å; R587-L589 VanDerWaalsContact C-N 3.33Å; R587-L589 PolarHBondContact O-N 3.18Å; L589-Q592 PolarHBondContact O-N 3.48Å; L589-L593 HydrophobicContact CD1-CD1 4.15Å; L589-L593 HydrophobicContact CG-CD1 3.98Å; L589-L593 WeakPolarHBondContact O-CD1 3.3Å; L589-L593 VanDerWaalsContact O-CG 3.27Å; L589-L593 WeakPolarHBondContact O-CG 3.16Å; L589-L593 PolarHBondContact O-N 2.93Å; L589-W653 HydrophobicContact CD2-CH2 4.33Å; L589-W653 HydrophobicContact CD2-CZ2 4.49Å |
| 590 | F | 88.1 | Confident | 83.2 | Confident | 10 Ų | 10 | 75.3 Ų | 75.3 | 4% | 0.044 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.7 | -48.6 | 176.2 | 178.6 | -92 | 0 | 0 | 0 | 112 | L586 R587 Q592 L593 A594 K598 I600 F646 F649 | L586-F590 WeakPolarHBondContact O-CB 3.29Å; L586-F590 PolarHBondContact O-N 3.44Å; R587-F590 PolarHBondContact O-N 3.17Å; F590-Q592 VanDerWaalsContact C-N 3.26Å; F590-Q592 PolarHBondContact O-N 3Å; F590-L593 PolarHBondContact O-N 2.66Å; F590-A594 HydrophobicContact CD1-CB 4.05Å; F590-A594 HydrophobicContact CE1-CB 3.67Å; F590-A594 HydrophobicContact CE2-CB 4.22Å; F590-A594 HydrophobicContact CG-CB 4.48Å; F590-A594 HydrophobicContact CZ-CB 3.76Å; F590-A594 VanDerWaalsContact O-CB 3.25Å; F590-A594 WeakPolarHBondContact O-CB 3.19Å; F590-A594 PolarHBondContact O-N 3.14Å; F590-K598 VanDerWaalsContact CZ-O 3.3Å; F590-K598 WeakPolarHBondContact CZ-O 3.48Å; F590-I600 HydrophobicContact CD2-CD1 3.39Å; F590-I600 HydrophobicContact CD2-CG1 3.92Å; F590-I600 HydrophobicContact CE2-CD1 3.62Å; F590-I600 HydrophobicContact CE2-CG1 3.67Å; F590-I600 HydrophobicContact CG-CD1 4.38Å; F590-I600 HydrophobicContact CZ-CG1 4.44Å; F590-F646 HydrophobicContact CB-CD2 3.74Å; F590-F646 HydrophobicContact CB-CE2 4.1Å; F590-F646 HydrophobicContact CD1-CB 4.06Å; F590-F646 AromaticContact CD1-CD2 3.82Å; F590-F646 HydrophobicContact CD1-CD2 3.82Å; F590-F646 HydrophobicContact CD1-CG 4.37Å; F590-F646 HydrophobicContact CD2-CB 4.5Å; F590-F646 HydrophobicContact CD2-CD2 4.08Å; F590-F646 HydrophobicContact CE1-CB 3.85Å; F590-F646 HydrophobicContact CE1-CD2 4.47Å; F590-F646 HydrophobicContact CE2-CB 4.3Å; F590-F646 HydrophobicContact CG-CB 4.39Å; F590-F646 AromaticContact CG-CD2 3.61Å; F590-F646 HydrophobicContact CG-CD2 3.61Å; F590-F646 HydrophobicContact CG-CE2 4.45Å; F590-F646 HydrophobicContact CG-CG 4.48Å; F590-F646 HydrophobicContact CZ-CB 3.98Å; F590-F646 VanDerWaalsContact CZ-N 3.34Å; F590-F649 HydrophobicContact CB-CD1 3.98Å; F590-F649 HydrophobicContact CB-CE1 4.08Å; F590-F649 HydrophobicContact CD2-CB 3.72Å; F590-F649 AromaticContact CD2-CD1 3.62Å; F590-F649 HydrophobicContact CD2-CD1 3.62Å; F590-F649 HydrophobicContact CD2-CD2 4.34Å; F590-F649 HydrophobicContact CD2-CE1 4.3Å; F590-F649 AromaticContact CD2-CG 3.63Å; F590-F649 HydrophobicContact CD2-CG 3.63Å; F590-F649 HydrophobicContact CE2-CB 3.89Å; F590-F649 HydrophobicContact CE2-CG 4.23Å; F590-F649 HydrophobicContact CG-CD1 4.24Å |
| 591 | E | 87 | Confident | 83.8 | Confident | 118 Ų | 118 | 73.3 Ų | 73.3 | 55% | 0.551 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.3 | -31.1 | -179.7 | -73.4 | 173.8 | -179.5 | 0 | 0 | 112.8 | R587 R588 L593 | R587-E591 WeakPolarHBondContact O-CB 3.44Å; R587-E591 WeakPolarHBondContact O-CG 3.32Å; R587-E591 PolarHBondContact O-N 3.06Å; R588-E591 PolarHBondContact O-N 3.26Å; E591-L593 VanDerWaalsContact C-N 3.3Å |
| 592 | Q | 85.7 | Confident | 84.5 | Confident | 160 Ų | 160 | 68.2 Ų | 68.2 | 75% | 0.748 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -69.1 | -29.2 | 173.7 | -76.5 | 177.6 | -0.7 | 0 | 0 | 113.1 | R588 L589 F590 | R588-Q592 WeakPolarHBondContact O-CG 3.24Å; R588-Q592 PolarHBondContact O-N 3.21Å; R588-Q592 VanDerWaalsContact O-N 3.08Å; L589-Q592 PolarHBondContact O-N 3.48Å; F590-Q592 VanDerWaalsContact C-N 3.26Å; F590-Q592 PolarHBondContact O-N 3Å |
| 593 | L | 84.1 | Confident | 85.2 | Confident | 39 Ų | 39 | 69.4 Ų | 69.4 | 20% | 0.204 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -93 | -45.9 | -175.4 | -66.4 | 164.2 | 0 | 0 | 0 | 112.3 | L589 F590 E591 G595 I600 M608 | L589-L593 HydrophobicContact CD1-CD1 4.15Å; L589-L593 HydrophobicContact CG-CD1 3.98Å; L589-L593 WeakPolarHBondContact O-CD1 3.3Å; L589-L593 VanDerWaalsContact O-CG 3.27Å; L589-L593 WeakPolarHBondContact O-CG 3.16Å; L589-L593 PolarHBondContact O-N 2.93Å; F590-L593 PolarHBondContact O-N 2.66Å; E591-L593 VanDerWaalsContact C-N 3.3Å; L593-G595 PolarHBondContact O-N 3.06Å; L593-I600 HydrophobicContact CB-CD1 4.2Å; L593-I600 HydrophobicContact CB-CG1 4.35Å; L593-I600 HydrophobicContact CD1-CD1 4.37Å; L593-M608 HydrophobicContact CD1-CB 3.87Å; L593-M608 HydrophobicContact CD1-CG 3.45Å; L593-M608 VanDerWaalsContact CD1-CG 3.45Å; L593-M608 HydrophobicContact CD2-CB 3.81Å; L593-M608 HydrophobicContact CD2-CG 4.13Å; L593-M608 HydrophobicContact CG-CB 4.49Å; L593-M608 HydrophobicContact CG-CG 4.43Å |
| 594 | A | 85.1 | Confident | 85.9 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.008 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -77 | 1.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F590 S596 D597 K598 I600 | F590-A594 HydrophobicContact CD1-CB 4.05Å; F590-A594 HydrophobicContact CE1-CB 3.67Å; F590-A594 HydrophobicContact CE2-CB 4.22Å; F590-A594 HydrophobicContact CG-CB 4.48Å; F590-A594 HydrophobicContact CZ-CB 3.76Å; F590-A594 VanDerWaalsContact O-CB 3.25Å; F590-A594 WeakPolarHBondContact O-CB 3.19Å; F590-A594 PolarHBondContact O-N 3.14Å; A594-S596 PolarHBondContact O-N 2.73Å; A594-D597 PolarHBondContact O-N 2.78Å; A594-K598 PolarHBondContact O-N 3.17Å; A594-I600 HydrophobicContact CB-CG1 3.9Å |
| 595 | G | 83 | Confident | 86.3 | Confident | 49 Ų | 49 | 66 Ų | 66 | 51% | 0.505 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | -130.8 | 173 | 0 | 0 | 0 | 0 | 0 | 115.1 | L593 | L593-G595 PolarHBondContact O-N 3.06Š|
| 596 | S | 80 | Confident | 86.8 | Confident | 120 Ų | 120 | 63.6 Ų | 63.6 | 84% | 0.839 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -23.6 | -176.7 | 52.7 | 0 | 0 | 0 | 0 | 114.3 | A594 K598 | A594-S596 PolarHBondContact O-N 2.73Å; S596-K598 VanDerWaalsContact C-N 3.34Å |
| 597 | D | 82.6 | Confident | 87 | Confident | 80 Ų | 80 | 69.7 Ų | 69.7 | 43% | 0.428 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -11.5 | -178.5 | 49.1 | -30 | 0 | 0 | 0 | 112.9 | A594 A599 | A594-D597 PolarHBondContact O-N 2.78Å; D597-A599 PolarHBondContact O-N 2.9Å; D597-A599 VanDerWaalsContact O-N 3.14Å |
| 598 | K | 86.1 | Confident | 87.2 | Confident | 162 Ų | 162 | 67 Ų | 67 | 70% | 0.704 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 23.5 | 175.2 | -58.4 | -176.4 | 177.1 | -176.7 | 0 | 113.5 | F590 A594 S596 | F590-K598 VanDerWaalsContact CZ-O 3.3Å; F590-K598 WeakPolarHBondContact CZ-O 3.48Å; A594-K598 PolarHBondContact O-N 3.17Å; S596-K598 VanDerWaalsContact C-N 3.34Å |
| 599 | A | 87.8 | Confident | 87.3 | Confident | 7 Ų | 7 | 60 Ų | 60 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -137.8 | 150.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | D597 Q643 M644 | D597-A599 PolarHBondContact O-N 2.9Å; D597-A599 VanDerWaalsContact O-N 3.14Å; A599-Q643 HydrophobicContact CB-CB 3.8Å; A599-M644 CarbonylContact C-O 3.57Å; A599-M644 WeakPolarHBondContact CA-O 3.46Å |
| 600 | I | 88.3 | Confident | 87.4 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -97.4 | 124.5 | 179.6 | -64.8 | 175.8 | 0 | 0 | 0 | 108.9 | F590 L593 A594 E604 L605 Q643 M644 F649 | F590-I600 HydrophobicContact CD2-CD1 3.39Å; F590-I600 HydrophobicContact CD2-CG1 3.92Å; F590-I600 HydrophobicContact CE2-CD1 3.62Å; F590-I600 HydrophobicContact CE2-CG1 3.67Å; F590-I600 HydrophobicContact CG-CD1 4.38Å; F590-I600 HydrophobicContact CZ-CG1 4.44Å; L593-I600 HydrophobicContact CB-CD1 4.2Å; L593-I600 HydrophobicContact CB-CG1 4.35Å; L593-I600 HydrophobicContact CD1-CD1 4.37Å; A594-I600 HydrophobicContact CB-CG1 3.9Å; I600-E604 HydrophobicContact CG2-CB 3.94Å; I600-L605 HydrophobicContact CG2-CB 3.92Å; I600-Q643 WeakPolarHBondContact O-CA 3.44Å; I600-M644 HydrophobicContact CB-CB 4.38Å; I600-M644 PolarHBondContact N-O 3.39Å; I600-M644 PolarHBondContact O-N 2.73Å; I600-F649 HydrophobicContact CD1-CD2 3.61Å; I600-F649 HydrophobicContact CD1-CE2 3.72Å; I600-F649 HydrophobicContact CD1-CG 4.11Å; I600-F649 HydrophobicContact CD1-CZ 4.3Å |
| 601 | C | 90.4 | Very high | 87.2 | Confident | 32 Ų | 32 | 60.8 Ų | 60.8 | 22% | 0.216 | 32% | 0.321 | C | S | . | . | trans | -86.7 | 169.9 | 171.8 | 79.6 | 0 | 0 | 0 | 0 | 112.4 | R603 E604 L605 | C601-R603 VanDerWaalsContact C-N 3.26Å; C601-R603 PolarHBondContact O-N 2.75Å; C601-E604 PolarHBondContact N-OE2 3.49Å; C601-E604 PolarHBondContact O-N 3.49Å; C601-E604 PolarHBondContact SG-OE2 2.95Å; C601-L605 WeakPolarHBondContact O-CB 3.36Å; C601-L605 PolarHBondContact O-N 2.85Å | ||
| 602 | V | 89.3 | Confident | 87 | Confident | 19 Ų | 19 | 57.2 Ų | 57.2 | 12% | 0.115 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55 | -38.7 | -178.2 | -176.5 | 0 | 0 | 0 | 0 | 112.8 | Q606 L626 C629 H630 I633 | V602-Q606 PolarHBondContact O-N 2.83Å; V602-L626 HydrophobicContact CG1-CD2 3.99Å; V602-C629 HydrophobicContact CG1-CB 3.65Å; V602-H630 VanDerWaalsContact CG2-CE1 3.49Å; V602-H630 WeakPolarHBondContact CG2-CE1 3.27Å; V602-H630 WeakPolarHBondContact CG2-ND1 3.25Å; V602-I633 VanDerWaalsContact CA-CD1 3.47Å; V602-I633 HydrophobicContact CB-CD1 3.93Å; V602-I633 HydrophobicContact CG2-CD1 3.38Å |
| 603 | R | 90.2 | Very high | 86.9 | Confident | 167 Ų | 167 | 49.7 Ų | 49.7 | 63% | 0.63 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -73.3 | -42.7 | -178.2 | -68.9 | -178.7 | 179.8 | -99.4 | -0.8 | 111.9 | C601 L605 Q606 E607 L626 | C601-R603 VanDerWaalsContact C-N 3.26Å; C601-R603 PolarHBondContact O-N 2.75Å; R603-L605 VanDerWaalsContact C-N 3.31Å; R603-L605 PolarHBondContact O-N 3.09Å; R603-Q606 WeakPolarHBondContact O-CB 3.25Å; R603-Q606 PolarHBondContact O-N 2.86Å; R603-E607 WeakPolarHBondContact O-CG 2.96Å; R603-E607 PolarHBondContact O-N 3.29Å; R603-L626 HydrophobicContact CG-CD2 4.39Å |
| 604 | E | 91.7 | Very high | 86.8 | Confident | 48 Ų | 48 | 51.7 Ų | 51.7 | 22% | 0.224 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 176.1 | -70.3 | 159.6 | 164.9 | 0 | 0 | 111 | I600 C601 E607 M608 | I600-E604 HydrophobicContact CG2-CB 3.94Å; C601-E604 PolarHBondContact N-OE2 3.49Å; C601-E604 PolarHBondContact O-N 3.49Å; C601-E604 PolarHBondContact SG-OE2 2.95Å; E604-E607 PolarHBondContact O-N 3.21Å; E604-M608 WeakPolarHBondContact O-CB 3.15Å; E604-M608 PolarHBondContact O-N 3.22Å |
| 605 | L | 90.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 173 | -177.5 | 62.8 | 0 | 0 | 0 | 111.5 | I600 C601 R603 M608 L609 C629 I632 I633 M644 F652 | I600-L605 HydrophobicContact CG2-CB 3.92Å; C601-L605 WeakPolarHBondContact O-CB 3.36Å; C601-L605 PolarHBondContact O-N 2.85Å; R603-L605 VanDerWaalsContact C-N 3.31Å; R603-L605 PolarHBondContact O-N 3.09Å; L605-M608 HydrophobicContact CD1-CE 3.93Å; L605-M608 PolarHBondContact O-N 3.24Å; L605-L609 HydrophobicContact CD1-CD1 3.79Å; L605-L609 HydrophobicContact CD1-CG 4.1Å; L605-L609 HydrophobicContact CG-CD1 3.84Å; L605-L609 HydrophobicContact CG-CG 4.47Å; L605-L609 WeakPolarHBondContact O-CB 3.46Å; L605-L609 VanDerWaalsContact O-CG 3.3Å; L605-L609 WeakPolarHBondContact O-CG 3.46Å; L605-L609 PolarHBondContact O-N 3.07Å; L605-C629 HydrophobicContact CD2-CB 4.19Å; L605-I632 HydrophobicContact CD2-CB 4.18Å; L605-I632 HydrophobicContact CD2-CG2 3.84Å; L605-I633 HydrophobicContact CD2-CD1 4.07Å; L605-I633 HydrophobicContact CD2-CG1 3.92Å; L605-M644 HydrophobicContact CD2-CE 4.29Å; L605-F652 HydrophobicContact CD1-CE1 3.77Å; L605-F652 HydrophobicContact CD1-CZ 4.08Å |
| 606 | Q | 92.9 | Very high | 86.3 | Confident | 42 Ų | 42 | 64.4 Ų | 64.4 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.7 | -48.6 | 178.3 | -173.2 | -175.5 | 43.4 | 0 | 0 | 111.8 | V602 R603 M608 L609 N610 L624 L626 | V602-Q606 PolarHBondContact O-N 2.83Å; R603-Q606 WeakPolarHBondContact O-CB 3.25Å; R603-Q606 PolarHBondContact O-N 2.86Å; Q606-M608 VanDerWaalsContact C-N 3.33Å; Q606-M608 PolarHBondContact O-N 3.26Å; Q606-L609 PolarHBondContact O-N 3.02Å; Q606-N610 VanDerWaalsContact O-CB 3.26Å; Q606-N610 WeakPolarHBondContact O-CB 3.42Å; Q606-N610 PolarHBondContact O-N 3.32Å; Q606-L624 PolarHBondContact NE2-O 3.19Å; Q606-L626 HydrophobicContact CB-CD2 4.44Å; Q606-L626 VanDerWaalsContact OE1-CD2 3.24Å |
| 607 | E | 88.5 | Confident | 85.9 | Confident | 142 Ų | 142 | 70.3 Ų | 70.3 | 66% | 0.664 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.7 | -43.8 | 179.7 | -73.6 | 179 | -173.3 | 0 | 0 | 111.6 | R603 E604 G611 | R603-E607 WeakPolarHBondContact O-CG 2.96Å; R603-E607 PolarHBondContact O-N 3.29Å; E604-E607 PolarHBondContact O-N 3.21Å; E607-G611 PolarHBondContact O-N 3.37Å |
| 608 | M | 88.8 | Confident | 85.5 | Confident | 12 Ų | 12 | 72.2 Ų | 72.2 | 6% | 0.059 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.9 | -54 | 176.2 | -179.3 | -83.3 | -72.6 | 0 | 0 | 111.6 | L593 E604 L605 Q606 N610 G611 V612 F649 F652 W653 | L593-M608 HydrophobicContact CD1-CB 3.87Å; L593-M608 HydrophobicContact CD1-CG 3.45Å; L593-M608 VanDerWaalsContact CD1-CG 3.45Å; L593-M608 HydrophobicContact CD2-CB 3.81Å; L593-M608 HydrophobicContact CD2-CG 4.13Å; L593-M608 HydrophobicContact CG-CB 4.49Å; L593-M608 HydrophobicContact CG-CG 4.43Å; E604-M608 WeakPolarHBondContact O-CB 3.15Å; E604-M608 PolarHBondContact O-N 3.22Å; L605-M608 HydrophobicContact CD1-CE 3.93Å; L605-M608 PolarHBondContact O-N 3.24Å; Q606-M608 VanDerWaalsContact C-N 3.33Å; Q606-M608 PolarHBondContact O-N 3.26Å; M608-N610 VanDerWaalsContact C-N 3.33Å; M608-N610 PolarHBondContact O-N 2.79Å; M608-G611 PolarHBondContact O-N 3.3Å; M608-G611 VanDerWaalsContact O-N 3.12Å; M608-V612 WeakPolarHBondContact O-CG2 3.46Å; M608-V612 PolarHBondContact O-N 2.87Å; M608-V612 HydrophobicContact SD-CG2 3.84Å; M608-F649 HydrophobicContact CE-CE2 3.82Å; M608-F649 HydrophobicContact CE-CZ 4.13Å; M608-F652 HydrophobicContact CE-CE1 4.3Å; M608-W653 HydrophobicContact CE-CE3 4.41Å; M608-W653 HydrophobicContact CE-CZ3 3.87Å; M608-W653 HydrophobicContact SD-CH2 4.27Å; M608-W653 HydrophobicContact SD-CZ3 3.74Å |
| 609 | L | 87.4 | Confident | 84.9 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.7 | -40.2 | -175.1 | -70.9 | 173.5 | 0 | 0 | 0 | 111.1 | L605 Q606 G611 V612 L613 L624 I632 F652 M656 | L605-L609 HydrophobicContact CD1-CD1 3.79Å; L605-L609 HydrophobicContact CD1-CG 4.1Å; L605-L609 HydrophobicContact CG-CD1 3.84Å; L605-L609 HydrophobicContact CG-CG 4.47Å; L605-L609 WeakPolarHBondContact O-CB 3.46Å; L605-L609 VanDerWaalsContact O-CG 3.3Å; L605-L609 WeakPolarHBondContact O-CG 3.46Å; L605-L609 PolarHBondContact O-N 3.07Å; Q606-L609 PolarHBondContact O-N 3.02Å; L609-G611 VanDerWaalsContact C-N 3.32Å; L609-G611 PolarHBondContact O-N 3.37Å; L609-V612 PolarHBondContact O-N 2.97Å; L609-L613 HydrophobicContact CB-CD1 4.4Å; L609-L613 VanDerWaalsContact O-CB 3.26Å; L609-L613 WeakPolarHBondContact O-CB 3.28Å; L609-L613 VanDerWaalsContact O-CG 3.26Å; L609-L613 WeakPolarHBondContact O-CG 3.33Å; L609-L613 PolarHBondContact O-N 2.77Å; L609-L624 HydrophobicContact CB-CD1 3.47Å; L609-L624 VanDerWaalsContact CB-CD1 3.47Å; L609-L624 HydrophobicContact CD1-CD1 3.44Å; L609-L624 VanDerWaalsContact CD1-CD1 3.44Å; L609-L624 HydrophobicContact CG-CD1 4.05Å; L609-I632 HydrophobicContact CD1-CD1 4.13Å; L609-F652 HydrophobicContact CD1-CZ 4.03Å; L609-F652 HydrophobicContact CD2-CE1 4.33Å; L609-F652 HydrophobicContact CD2-CZ 4.01Å; L609-M656 HydrophobicContact CD2-CE 4.13Å; L609-M656 HydrophobicContact CD2-CG 4.48Å |
| 610 | N | 88.5 | Confident | 84.1 | Confident | 44 Ų | 44 | 70 Ų | 70 | 24% | 0.235 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62 | -40.3 | 174.3 | -72.2 | -7.8 | 0 | 0 | 0 | 111.8 | Q606 M608 S614 F621 L624 | Q606-N610 VanDerWaalsContact O-CB 3.26Å; Q606-N610 WeakPolarHBondContact O-CB 3.42Å; Q606-N610 PolarHBondContact O-N 3.32Å; M608-N610 VanDerWaalsContact C-N 3.33Å; M608-N610 PolarHBondContact O-N 2.79Å; N610-S614 WeakPolarHBondContact O-CB 3.35Å; N610-S614 PolarHBondContact O-N 3.26Å; N610-S614 PolarHBondContact O-OG 2.58Å; N610-F621 HydrophobicContact CB-CE1 4.31Å; N610-F621 HydrophobicContact CB-CZ 4.48Å; N610-F621 WeakPolarHBondContact OD1-CZ 3.46Å; N610-L624 PolarHBondContact OD1-N 2.68Å |
| 611 | G | 84.4 | Confident | 83.6 | Confident | 32 Ų | 32 | 71.8 Ų | 71.8 | 33% | 0.33 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.5 | -33.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | E607 M608 L609 S614 R615 | E607-G611 PolarHBondContact O-N 3.37Å; M608-G611 PolarHBondContact O-N 3.3Å; M608-G611 VanDerWaalsContact O-N 3.12Å; L609-G611 VanDerWaalsContact C-N 3.32Å; L609-G611 PolarHBondContact O-N 3.37Å; G611-S614 PolarHBondContact O-OG 2.98Å; G611-R615 PolarHBondContact O-NE 3.22Å |
| 612 | V | 82.3 | Confident | 82.8 | Confident | 43 Ų | 43 | 77.4 Ų | 77.4 | 26% | 0.261 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -79.6 | -45.5 | 178.3 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | M608 L609 W653 M656 | M608-V612 WeakPolarHBondContact O-CG2 3.46Å; M608-V612 PolarHBondContact O-N 2.87Å; M608-V612 HydrophobicContact SD-CG2 3.84Å; L609-V612 PolarHBondContact O-N 2.97Å; V612-W653 HydrophobicContact CG1-CH2 4.32Å; V612-W653 HydrophobicContact CG2-CH2 4.29Å; V612-M656 HydrophobicContact CG1-CE 4.32Å |
| 613 | L | 82.9 | Confident | 82.5 | Confident | 2 Ų | 2 | 77.7 Ų | 77.7 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -75.2 | -35.6 | -174.5 | -67.8 | 170 | 0 | 0 | 0 | 112.2 | L609 R615 R616 I619 F621 L624 I660 F711 | L609-L613 HydrophobicContact CB-CD1 4.4Å; L609-L613 VanDerWaalsContact O-CB 3.26Å; L609-L613 WeakPolarHBondContact O-CB 3.28Å; L609-L613 VanDerWaalsContact O-CG 3.26Å; L609-L613 WeakPolarHBondContact O-CG 3.33Å; L609-L613 PolarHBondContact O-N 2.77Å; L613-R615 PolarHBondContact O-N 3.17Å; L613-R616 PolarHBondContact O-N 2.94Å; L613-I619 HydrophobicContact CD2-CD1 4.22Å; L613-F621 HydrophobicContact CB-CD1 3.93Å; L613-F621 HydrophobicContact CB-CD2 4.07Å; L613-F621 HydrophobicContact CB-CE1 3.69Å; L613-F621 HydrophobicContact CB-CE2 3.86Å; L613-F621 HydrophobicContact CB-CG 4.08Å; L613-F621 HydrophobicContact CB-CZ 3.62Å; L613-F621 HydrophobicContact CD1-CD2 4.25Å; L613-F621 HydrophobicContact CD1-CE2 3.52Å; L613-F621 HydrophobicContact CD1-CZ 3.7Å; L613-F621 HydrophobicContact CG-CE2 4.33Å; L613-F621 HydrophobicContact CG-CZ 4.3Å; L613-L624 HydrophobicContact CD1-CD1 3.93Å; L613-L624 HydrophobicContact CD1-CD2 4.21Å; L613-L624 HydrophobicContact CD1-CG 4Å; L613-I660 HydrophobicContact CD2-CD1 3.65Å; L613-I660 HydrophobicContact CD2-CG1 4.5Å; L613-F711 HydrophobicContact CD1-CD1 4.14Å; L613-F711 HydrophobicContact CD1-CE1 3.7Å; L613-F711 HydrophobicContact CD2-CE1 3.92Å; L613-F711 HydrophobicContact CD2-CZ 4.36Å; L613-F711 HydrophobicContact CG-CE1 4.48Å |
| 614 | S | 82.1 | Confident | 82.4 | Confident | 80 Ų | 80 | 69.9 Ų | 69.9 | 56% | 0.559 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -18.6 | 176 | 57.4 | 0 | 0 | 0 | 0 | 114.4 | N610 G611 | N610-S614 WeakPolarHBondContact O-CB 3.35Å; N610-S614 PolarHBondContact O-N 3.26Å; N610-S614 PolarHBondContact O-OG 2.58Å; G611-S614 PolarHBondContact O-OG 2.98Å |
| 615 | R | 80.8 | Confident | 82.4 | Confident | 214 Ų | 214 | 69.3 Ų | 69.3 | 81% | 0.808 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -15.3 | 177.4 | -64 | 179.5 | -175.4 | -175.1 | 1.6 | 113.2 | G611 L613 | G611-R615 PolarHBondContact O-NE 3.22Å; L613-R615 PolarHBondContact O-N 3.17Å |
| 616 | R | 77.1 | Confident | 82.3 | Confident | 103 Ų | 103 | 72.3 Ų | 72.3 | 39% | 0.389 | 35% | 0.351 | S | S | . | . | trans | -89 | 120.2 | 178.5 | -65.2 | -173.8 | 175.3 | -116.9 | 2.8 | 109.1 | L613 E618 I619 | L613-R616 PolarHBondContact O-N 2.94Å; R616-E618 VanDerWaalsContact C-N 3.33Å; R616-I619 HydrophobicContact CB-CD1 4.45Å | ||
| 617 | R | 71.3 | Confident | 82.1 | Confident | 244 Ų | 244 | 73.5 Ų | 73.5 | 92% | 0.921 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -84.7 | -14.6 | -178.7 | -66.8 | -174.4 | 179.3 | -170.6 | -0.5 | 112.6 | I619 | R617-I619 VanDerWaalsContact C-N 3.29Š|
| 618 | E | 74.9 | Confident | 82.2 | Confident | 120 Ų | 120 | 66.8 Ų | 66.8 | 56% | 0.561 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -78 | -15.2 | -178.4 | -54.9 | 91.7 | 153.9 | 0 | 0 | 112.6 | R616 L664 | R616-E618 VanDerWaalsContact C-N 3.33Å; E618-L664 HydrophobicContact CB-CD2 3.89Å |
| 619 | I | 73.3 | Confident | 82.3 | Confident | 8 Ų | 8 | 66.2 Ų | 66.2 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -111.1 | 126.8 | 180 | -55 | 175.3 | 0 | 0 | 0 | 107.7 | L613 R616 R617 F621 I660 F663 L664 F711 | L613-I619 HydrophobicContact CD2-CD1 4.22Å; R616-I619 HydrophobicContact CB-CD1 4.45Å; R617-I619 VanDerWaalsContact C-N 3.29Å; I619-F621 HydrophobicContact CG2-CB 4.13Å; I619-F621 PolarHBondContact O-N 2.9Å; I619-F621 VanDerWaalsContact O-N 3.1Å; I619-I660 HydrophobicContact CD1-CG2 4.48Å; I619-F663 HydrophobicContact CG2-CE1 4.44Å; I619-L664 HydrophobicContact CG1-CD2 3.91Å; I619-F711 HydrophobicContact CD1-CD2 4.36Å; I619-F711 HydrophobicContact CD1-CE2 4.38Å; I619-F711 HydrophobicContact CG2-CB 3.59Å; I619-F711 HydrophobicContact CG2-CD1 4.39Å; I619-F711 HydrophobicContact CG2-CD2 4.16Å; I619-F711 HydrophobicContact CG2-CG 3.78Å |
| 620 | K | 71.3 | Confident | 82.4 | Confident | 116 Ų | 116 | 70.5 Ų | 70.5 | 50% | 0.504 | 35% | 0.349 | S | S | . | . | trans | -77.1 | 99.4 | 169.7 | -168.9 | 176.8 | 179.2 | -179.3 | 0 | 107.7 | G672 | K620-G672 WeakPolarHBondContact CB-O 3.36Å; K620-G672 PolarHBondContact N-O 2.87Å | ||
| 621 | F | 76.3 | Confident | 82.3 | Confident | 38 Ų | 38 | 68.9 Ų | 68.9 | 17% | 0.167 | 34% | 0.341 | C | S | . | . | trans | -122 | 108.7 | -166.4 | -176.9 | -106.4 | 0 | 0 | 0 | 111.5 | N610 L613 I619 G623 L624 F711 | N610-F621 HydrophobicContact CB-CE1 4.31Å; N610-F621 HydrophobicContact CB-CZ 4.48Å; N610-F621 WeakPolarHBondContact OD1-CZ 3.46Å; L613-F621 HydrophobicContact CB-CD1 3.93Å; L613-F621 HydrophobicContact CB-CD2 4.07Å; L613-F621 HydrophobicContact CB-CE1 3.69Å; L613-F621 HydrophobicContact CB-CE2 3.86Å; L613-F621 HydrophobicContact CB-CG 4.08Å; L613-F621 HydrophobicContact CB-CZ 3.62Å; L613-F621 HydrophobicContact CD1-CD2 4.25Å; L613-F621 HydrophobicContact CD1-CE2 3.52Å; L613-F621 HydrophobicContact CD1-CZ 3.7Å; L613-F621 HydrophobicContact CG-CE2 4.33Å; L613-F621 HydrophobicContact CG-CZ 4.3Å; I619-F621 HydrophobicContact CG2-CB 4.13Å; I619-F621 PolarHBondContact O-N 2.9Å; I619-F621 VanDerWaalsContact O-N 3.1Å; F621-G623 VanDerWaalsContact CZ-CA 3.43Å; F621-L624 HydrophobicContact CE2-CD2 3.78Å; F621-L624 HydrophobicContact CE2-CG 3.74Å; F621-L624 HydrophobicContact CZ-CD2 4.45Å; F621-L624 HydrophobicContact CZ-CG 3.9Å; F621-F711 HydrophobicContact CD2-CD1 4.38Å; F621-F711 HydrophobicContact CE2-CD1 4.49Å | ||
| 622 | D | 74.5 | Confident | 82.5 | Confident | 150 Ų | 150 | 67.4 Ų | 67.4 | 80% | 0.802 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -91.5 | -3.3 | 176.5 | -66 | -37.7 | 0 | 0 | 0 | 112.6 | ||
| 623 | G | 83.1 | Confident | 82.7 | Confident | 24 Ų | 24 | 65.5 Ų | 65.5 | 25% | 0.247 | 31% | 0.314 | C | S | . | . | trans | 117.5 | 148.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F621 | F621-G623 VanDerWaalsContact CZ-CA 3.43Š| ||
| 624 | L | 87.9 | Confident | 82.7 | Confident | 4 Ų | 4 | 68.2 Ų | 68.2 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | trans | -78.6 | 139 | 170.2 | -66 | -177.9 | 0 | 0 | 0 | 110.7 | Q606 L609 N610 L613 F621 T628 F711 D712 L715 | Q606-L624 PolarHBondContact NE2-O 3.19Å; L609-L624 HydrophobicContact CB-CD1 3.47Å; L609-L624 VanDerWaalsContact CB-CD1 3.47Å; L609-L624 HydrophobicContact CD1-CD1 3.44Å; L609-L624 VanDerWaalsContact CD1-CD1 3.44Å; L609-L624 HydrophobicContact CG-CD1 4.05Å; N610-L624 PolarHBondContact OD1-N 2.68Å; L613-L624 HydrophobicContact CD1-CD1 3.93Å; L613-L624 HydrophobicContact CD1-CD2 4.21Å; L613-L624 HydrophobicContact CD1-CG 4Å; F621-L624 HydrophobicContact CE2-CD2 3.78Å; F621-L624 HydrophobicContact CE2-CG 3.74Å; F621-L624 HydrophobicContact CZ-CD2 4.45Å; F621-L624 HydrophobicContact CZ-CG 3.9Å; L624-T628 HydrophobicContact CD2-CG2 4.39Å; L624-F711 HydrophobicContact CD2-CD1 4.28Å; L624-F711 HydrophobicContact CD2-CE1 4.5Å; L624-D712 VanDerWaalsContact CA-OD1 3.29Å; L624-D712 WeakPolarHBondContact CA-OD1 3.19Å; L624-D712 HydrophobicContact CD2-CB 4.08Å; L624-D712 WeakPolarHBondContact CD2-OD1 3.38Å; L624-L715 HydrophobicContact CD1-CD2 4.06Å; L624-L715 HydrophobicContact CD2-CD2 3.96Å | ||
| 625 | S | 90.9 | Very high | 82.6 | Confident | 35 Ų | 35 | 65.5 Ų | 65.5 | 25% | 0.245 | 31% | 0.308 | C | S | . | . | trans | -74.8 | 157.7 | 173.2 | 68.4 | 0 | 0 | 0 | 0 | 112.2 | S627 T628 C629 D712 | S625-S627 WeakPolarHBondContact CB-OG 3.44Å; S625-S627 PolarHBondContact O-N 3.36Å; S625-S627 PolarHBondContact OG-OG 2.83Å; S625-T628 PolarHBondContact O-N 2.81Å; S625-T628 PolarHBondContact OG-N 3.38Å; S625-T628 PolarHBondContact OG-OG1 2.79Å; S625-C629 PolarHBondContact O-N 2.82Å; S625-C629 PolarHBondContact O-SG 2.85Å; S625-C629 VanDerWaalsContact O-SG 3.41Å; S625-D712 WeakPolarHBondContact CB-OD2 3.32Å; S625-D712 PolarHBondContact N-OD1 3.45Å; S625-D712 VanDerWaalsContact N-OD1 3.14Å; S625-D712 PolarHBondContact N-OD2 3.22Å; S625-D712 PolarHBondContact OG-OD2 3.28Å | ||
| 626 | L | 90.2 | Very high | 82.8 | Confident | 64 Ų | 64 | 55.9 Ų | 55.9 | 34% | 0.335 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.8 | -32.5 | 173 | -76 | 172.8 | 0 | 0 | 0 | 111.2 | V602 R603 Q606 T628 C629 H630 | V602-L626 HydrophobicContact CG1-CD2 3.99Å; R603-L626 HydrophobicContact CG-CD2 4.39Å; Q606-L626 HydrophobicContact CB-CD2 4.44Å; Q606-L626 VanDerWaalsContact OE1-CD2 3.24Å; L626-T628 VanDerWaalsContact C-N 3.35Å; L626-T628 PolarHBondContact O-N 2.73Å; L626-C629 PolarHBondContact O-N 2.93Å; L626-H630 WeakPolarHBondContact O-CB 3.39Å; L626-H630 PolarHBondContact O-CD2 3.48Å; L626-H630 PolarHBondContact O-N 2.81Å |
| 627 | S | 87.8 | Confident | 82.8 | Confident | 67 Ų | 67 | 51.8 Ų | 51.8 | 47% | 0.469 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 175.1 | 27.1 | 0 | 0 | 0 | 0 | 112.9 | S625 H630 S631 | S625-S627 WeakPolarHBondContact CB-OG 3.44Å; S625-S627 PolarHBondContact O-N 3.36Å; S625-S627 PolarHBondContact OG-OG 2.83Å; S627-H630 PolarHBondContact O-N 3.22Å; S627-S631 PolarHBondContact O-N 2.8Å; S627-S631 PolarHBondContact O-OG 2.78Å |
| 628 | T | 91 | Very high | 82.7 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.5 | -46.4 | 175.4 | -48.2 | 0 | 0 | 0 | 0 | 110.6 | L624 S625 L626 H630 S631 I632 D712 L715 T716 | L624-T628 HydrophobicContact CD2-CG2 4.39Å; S625-T628 PolarHBondContact O-N 2.81Å; S625-T628 PolarHBondContact OG-N 3.38Å; S625-T628 PolarHBondContact OG-OG1 2.79Å; L626-T628 VanDerWaalsContact C-N 3.35Å; L626-T628 PolarHBondContact O-N 2.73Å; T628-H630 VanDerWaalsContact C-N 3.33Å; T628-H630 PolarHBondContact O-N 3.27Å; T628-S631 WeakPolarHBondContact O-CB 3.43Å; T628-S631 PolarHBondContact O-N 2.86Å; T628-S631 VanDerWaalsContact O-N 3.11Å; T628-I632 HydrophobicContact CG2-CD1 4.17Å; T628-I632 WeakPolarHBondContact O-CG1 3.49Å; T628-I632 PolarHBondContact O-N 2.84Å; T628-D712 WeakPolarHBondContact CB-OD1 3.46Å; T628-D712 WeakPolarHBondContact CG2-OD1 3.39Å; T628-D712 PolarHBondContact OG1-OD1 2.96Å; T628-D712 PolarHBondContact OG1-OD2 3.36Å; T628-L715 HydrophobicContact CG2-CB 4.04Å; T628-L715 HydrophobicContact CG2-CD2 3.87Å; T628-L715 HydrophobicContact CG2-CG 3.89Å; T628-T716 WeakPolarHBondContact CB-OG1 3.46Å; T628-T716 WeakPolarHBondContact CG2-OG1 2.92Å; T628-T716 PolarHBondContact OG1-OG1 3.06Å |
| 629 | C | 91.5 | Very high | 82.4 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.4 | -38.9 | 178.6 | -61.4 | 0 | 0 | 0 | 0 | 112 | V602 L605 S625 L626 I632 I633 | V602-C629 HydrophobicContact CG1-CB 3.65Å; L605-C629 HydrophobicContact CD2-CB 4.19Å; S625-C629 PolarHBondContact O-N 2.82Å; S625-C629 PolarHBondContact O-SG 2.85Å; S625-C629 VanDerWaalsContact O-SG 3.41Å; L626-C629 PolarHBondContact O-N 2.93Å; C629-I632 PolarHBondContact O-N 3.35Å; C629-I633 PolarHBondContact O-N 2.83Å |
| 630 | H | 88.3 | Confident | 82.3 | Confident | 93 Ų | 93 | 42.1 Ų | 42.1 | 43% | 0.431 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.3 | -44.5 | 171.1 | -81.8 | -65.6 | 0 | 0 | 0 | 111.9 | V602 L626 S627 T628 I632 I633 N634 | V602-H630 VanDerWaalsContact CG2-CE1 3.49Å; V602-H630 WeakPolarHBondContact CG2-CE1 3.27Å; V602-H630 WeakPolarHBondContact CG2-ND1 3.25Å; L626-H630 WeakPolarHBondContact O-CB 3.39Å; L626-H630 PolarHBondContact O-CD2 3.48Å; L626-H630 PolarHBondContact O-N 2.81Å; S627-H630 PolarHBondContact O-N 3.22Å; T628-H630 VanDerWaalsContact C-N 3.33Å; T628-H630 PolarHBondContact O-N 3.27Å; H630-I632 VanDerWaalsContact C-N 3.31Å; H630-I632 PolarHBondContact O-N 3.25Å; H630-I633 PolarHBondContact O-N 3.08Å; H630-N634 WeakPolarHBondContact O-CB 3.42Å; H630-N634 PolarHBondContact O-N 2.91Å; H630-N634 PolarHBondContact O-OD1 3.15Å |
| 631 | S | 87.6 | Confident | 82.7 | Confident | 9 Ų | 9 | 40 Ų | 40 | 6% | 0.063 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.3 | -39.2 | 178.8 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | S627 T628 N634 L635 V719 | S627-S631 PolarHBondContact O-N 2.8Å; S627-S631 PolarHBondContact O-OG 2.78Å; T628-S631 WeakPolarHBondContact O-CB 3.43Å; T628-S631 PolarHBondContact O-N 2.86Å; T628-S631 VanDerWaalsContact O-N 3.11Å; S631-N634 PolarHBondContact O-N 3.12Å; S631-L635 PolarHBondContact O-N 3.12Å; S631-L635 VanDerWaalsContact O-N 3.12Å; S631-V719 VanDerWaalsContact C-CG1 3.46Å; S631-V719 WeakPolarHBondContact O-CG1 3.46Å |
| 632 | I | 88.3 | Confident | 82.8 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.8 | -49.6 | 175.2 | -69.9 | 164.7 | 0 | 0 | 0 | 110.4 | L605 L609 T628 C629 H630 N634 L635 M636 M644 F652 L715 V719 | L605-I632 HydrophobicContact CD2-CB 4.18Å; L605-I632 HydrophobicContact CD2-CG2 3.84Å; L609-I632 HydrophobicContact CD1-CD1 4.13Å; T628-I632 HydrophobicContact CG2-CD1 4.17Å; T628-I632 WeakPolarHBondContact O-CG1 3.49Å; T628-I632 PolarHBondContact O-N 2.84Å; C629-I632 PolarHBondContact O-N 3.35Å; H630-I632 VanDerWaalsContact C-N 3.31Å; H630-I632 PolarHBondContact O-N 3.25Å; I632-N634 VanDerWaalsContact C-N 3.32Å; I632-N634 PolarHBondContact O-N 3.3Å; I632-L635 PolarHBondContact O-N 3.47Å; I632-M636 HydrophobicContact CG2-CG 4.36Å; I632-M636 WeakPolarHBondContact O-CB 3.34Å; I632-M636 WeakPolarHBondContact O-CG 3.43Å; I632-M636 PolarHBondContact O-N 3.4Å; I632-M636 VanDerWaalsContact O-N 3.12Å; I632-M644 HydrophobicContact CG2-CE 4.03Å; I632-F652 HydrophobicContact CB-CE2 4.46Å; I632-F652 HydrophobicContact CD1-CE2 4.12Å; I632-F652 HydrophobicContact CD1-CZ 4.46Å; I632-F652 HydrophobicContact CG1-CE2 4.33Å; I632-F652 HydrophobicContact CG2-CD2 3.48Å; I632-F652 VanDerWaalsContact CG2-CD2 3.48Å; I632-F652 HydrophobicContact CG2-CE2 3.31Å; I632-F652 HydrophobicContact CG2-CG 4.32Å; I632-F652 HydrophobicContact CG2-CZ 4.02Å; I632-L715 HydrophobicContact CD1-CD2 3.91Å; I632-L715 HydrophobicContact CD1-CG 4.31Å; I632-V719 HydrophobicContact CG1-CG1 4.41Å; I632-V719 HydrophobicContact CG1-CG2 3.98Å |
| 633 | I | 85.9 | Confident | 83.3 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.015 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.1 | -45.5 | 178.1 | -75.2 | 166.4 | 0 | 0 | 0 | 109.9 | V602 L605 C629 H630 L635 M636 D637 M644 | V602-I633 VanDerWaalsContact CA-CD1 3.47Å; V602-I633 HydrophobicContact CB-CD1 3.93Å; V602-I633 HydrophobicContact CG2-CD1 3.38Å; L605-I633 HydrophobicContact CD2-CD1 4.07Å; L605-I633 HydrophobicContact CD2-CG1 3.92Å; C629-I633 PolarHBondContact O-N 2.83Å; H630-I633 PolarHBondContact O-N 3.08Å; I633-L635 PolarHBondContact O-N 3.48Å; I633-L635 VanDerWaalsContact O-N 3.16Å; I633-M636 PolarHBondContact O-N 2.8Å; I633-D637 HydrophobicContact CG2-CB 4.03Å; I633-D637 WeakPolarHBondContact O-CB 3.4Å; I633-D637 PolarHBondContact O-N 3.05Å; I633-M644 HydrophobicContact CG1-CE 3.9Å |
| 634 | N | 82.3 | Confident | 83.5 | Confident | 60 Ų | 60 | 35 Ų | 35 | 32% | 0.321 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.8 | -31.1 | 177.9 | -70.7 | -1.4 | 0 | 0 | 0 | 114.1 | H630 S631 I632 N752 | H630-N634 WeakPolarHBondContact O-CB 3.42Å; H630-N634 PolarHBondContact O-N 2.91Å; H630-N634 PolarHBondContact O-OD1 3.15Å; S631-N634 PolarHBondContact O-N 3.12Å; I632-N634 VanDerWaalsContact C-N 3.32Å; I632-N634 PolarHBondContact O-N 3.3Å; N634-N752 WeakPolarHBondContact CB-O 3.23Å; N634-N752 PolarHBondContact ND2-O 3.47Å |
| 635 | L | 81.5 | Confident | 83.4 | Confident | 23 Ų | 23 | 39.4 Ų | 39.4 | 12% | 0.12 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -76.4 | -30.7 | 175.6 | 176.4 | 63.5 | 0 | 0 | 0 | 112.3 | S631 I632 I633 W659 V719 E722 N723 | S631-L635 PolarHBondContact O-N 3.12Å; S631-L635 VanDerWaalsContact O-N 3.12Å; I632-L635 PolarHBondContact O-N 3.47Å; I633-L635 PolarHBondContact O-N 3.48Å; I633-L635 VanDerWaalsContact O-N 3.16Å; L635-W659 HydrophobicContact CD2-CH2 3.87Å; L635-W659 HydrophobicContact CD2-CZ2 4.2Å; L635-V719 HydrophobicContact CB-CG1 3.95Å; L635-V719 HydrophobicContact CD2-CB 4.42Å; L635-V719 HydrophobicContact CD2-CG1 3.88Å; L635-V719 HydrophobicContact CD2-CG2 4.49Å; L635-E722 HydrophobicContact CD1-CG 4.36Å; L635-E722 HydrophobicContact CD2-CB 4.47Å; L635-E722 HydrophobicContact CD2-CG 4.49Å; L635-N723 HydrophobicContact CD1-CB 3.89Å |
| 636 | M | 83.1 | Confident | 83.1 | Confident | 11 Ų | 11 | 38.8 Ų | 38.8 | 5% | 0.054 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -101.9 | -27.6 | -168.8 | -62 | -56.3 | -45.2 | 0 | 0 | 114.1 | I632 I633 V638 M644 E648 V651 F652 K655 | I632-M636 HydrophobicContact CG2-CG 4.36Å; I632-M636 WeakPolarHBondContact O-CB 3.34Å; I632-M636 WeakPolarHBondContact O-CG 3.43Å; I632-M636 PolarHBondContact O-N 3.4Å; I632-M636 VanDerWaalsContact O-N 3.12Å; I633-M636 PolarHBondContact O-N 2.8Å; M636-V638 PolarHBondContact O-N 3.37Å; M636-M644 HydrophobicContact CB-CE 3.79Å; M636-M644 HydrophobicContact CB-SD 4.38Å; M636-M644 HydrophobicContact CG-CE 4.07Å; M636-E648 WeakPolarHBondContact CE-O 3.24Å; M636-E648 VanDerWaalsContact O-CD 3.27Å; M636-E648 WeakPolarHBondContact O-CG 3.33Å; M636-E648 VanDerWaalsContact O-OE1 3.14Å; M636-V651 HydrophobicContact CE-CB 3.76Å; M636-V651 HydrophobicContact CE-CG1 3.81Å; M636-F652 HydrophobicContact CE-CB 3.82Å; M636-F652 HydrophobicContact CG-CB 3.96Å; M636-F652 HydrophobicContact CG-CD2 4.34Å; M636-F652 HydrophobicContact CG-CG 4.5Å; M636-F652 HydrophobicContact SD-CB 4.03Å; M636-K655 HydrophobicContact SD-CD 4.2Å |
| 637 | D | 78.4 | Confident | 82.6 | Confident | 17 Ų | 17 | 41.6 Ų | 41.6 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | trans | -74.9 | 85 | 179.5 | 176.2 | 13 | 0 | 0 | 0 | 109.6 | I633 D639 N640 T641 G642 | I633-D637 HydrophobicContact CG2-CB 4.03Å; I633-D637 WeakPolarHBondContact O-CB 3.4Å; I633-D637 PolarHBondContact O-N 3.05Å; D637-D639 VanDerWaalsContact C-N 3.31Å; D637-N640 WeakPolarHBondContact OD1-CA 3.42Å; D637-N640 PolarHBondContact OD1-N 2.9Å; D637-N640 WeakPolarHBondContact OD2-CA 3.36Å; D637-T641 PolarHBondContact OD1-N 3.03Å; D637-T641 PolarHBondContact OD1-OG1 2.68Å; D637-T641 PolarHBondContact OD2-N 3.46Å; D637-G642 VanDerWaalsContact OD2-CA 3.26Å; D637-G642 WeakPolarHBondContact OD2-CA 3.4Å; D637-G642 PolarHBondContact OD2-N 3.47Å | ||
| 638 | V | 68.4 | Low | 82.4 | Confident | 28 Ų | 28 | 39.4 Ų | 39.4 | 17% | 0.17 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -76.3 | -27.2 | -176.7 | 178 | 0 | 0 | 0 | 0 | 110.8 | L535 M636 E648 | L535-V638 VanDerWaalsContact C-CG1 3.47Å; L535-V638 HydrophobicContact CB-CG1 3.76Å; L535-V638 HydrophobicContact CB-CG2 4.36Å; L535-V638 HydrophobicContact CD2-CB 4.41Å; L535-V638 HydrophobicContact CD2-CG1 3.82Å; L535-V638 HydrophobicContact CG-CG1 4.4Å; L535-V638 WeakPolarHBondContact O-CG1 3.48Å; M636-V638 PolarHBondContact O-N 3.37Å; V638-E648 PolarHBondContact N-OE1 3.39Å |
| 639 | D | 69.5 | Low | 82.2 | Confident | 65 Ų | 65 | 39.4 Ų | 39.4 | 35% | 0.348 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -94.1 | -1.9 | -175.1 | 65.4 | 3.9 | 0 | 0 | 0 | 114.4 | D637 T641 | D637-D639 VanDerWaalsContact C-N 3.31Å; D639-T641 VanDerWaalsContact C-N 3.31Å; D639-T641 HydrophobicContact CB-CG2 4.4Å; D639-T641 WeakPolarHBondContact OD1-CB 3.44Å; D639-T641 WeakPolarHBondContact OD1-CG2 3.07Å; D639-T641 PolarHBondContact OD1-N 2.87Å; D639-T641 PolarHBondContact OD1-OG1 3.29Å; D639-T641 WeakPolarHBondContact OD2-CG2 3.45Å |
| 640 | N | 71.1 | Confident | 81.8 | Confident | 77 Ų | 77 | 42.2 Ų | 42.2 | 41% | 0.412 | 22% | 0.222 | S | C | . | . | trans | 60.2 | 36.9 | -178.5 | -54.9 | -89.3 | 0 | 0 | 0 | 112.7 | D637 G642 | D637-N640 WeakPolarHBondContact OD1-CA 3.42Å; D637-N640 PolarHBondContact OD1-N 2.9Å; D637-N640 WeakPolarHBondContact OD2-CA 3.36Å; N640-G642 VanDerWaalsContact C-N 3.28Å | ||
| 641 | T | 78.8 | Confident | 81.6 | Confident | 72 Ų | 72 | 40.8 Ų | 40.8 | 44% | 0.442 | 22% | 0.22 | S | C | . | . | trans | -76.1 | -18.6 | 175 | 53 | 0 | 0 | 0 | 0 | 112.6 | D637 D639 Q643 | D637-T641 PolarHBondContact OD1-N 3.03Å; D637-T641 PolarHBondContact OD1-OG1 2.68Å; D637-T641 PolarHBondContact OD2-N 3.46Å; D639-T641 VanDerWaalsContact C-N 3.31Å; D639-T641 HydrophobicContact CB-CG2 4.4Å; D639-T641 WeakPolarHBondContact OD1-CB 3.44Å; D639-T641 WeakPolarHBondContact OD1-CG2 3.07Å; D639-T641 PolarHBondContact OD1-N 2.87Å; D639-T641 PolarHBondContact OD1-OG1 3.29Å; D639-T641 WeakPolarHBondContact OD2-CG2 3.45Å; T641-Q643 PolarHBondContact O-N 2.65Å; T641-Q643 PolarHBondContact OG1-N 2.96Å; T641-Q643 PolarHBondContact OG1-O 3.33Å; T641-Q643 VanDerWaalsContact OG1-O 3.12Å | ||
| 642 | G | 79.6 | Confident | 81.6 | Confident | 41 Ų | 41 | 40.3 Ų | 40.3 | 42% | 0.423 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 74.2 | 8.7 | -171 | 0 | 0 | 0 | 0 | 0 | 113.3 | D637 N640 | D637-G642 VanDerWaalsContact OD2-CA 3.26Å; D637-G642 WeakPolarHBondContact OD2-CA 3.4Å; D637-G642 PolarHBondContact OD2-N 3.47Å; N640-G642 VanDerWaalsContact C-N 3.28Å |
| 643 | Q | 85 | Confident | 81.5 | Confident | 65 Ų | 65 | 42 Ų | 42 | 30% | 0.304 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -136.4 | 173.6 | 179.9 | -61.2 | -175.3 | -36.2 | 0 | 0 | 109 | A599 I600 T641 | A599-Q643 HydrophobicContact CB-CB 3.8Å; I600-Q643 WeakPolarHBondContact O-CA 3.44Å; T641-Q643 PolarHBondContact O-N 2.65Å; T641-Q643 PolarHBondContact OG1-N 2.96Å; T641-Q643 PolarHBondContact OG1-O 3.33Å; T641-Q643 VanDerWaalsContact OG1-O 3.12Å |
| 644 | M | 85.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -119.2 | 118.3 | -177.4 | -167.2 | -180 | -55.7 | 0 | 0 | 111.4 | A599 I600 L605 I632 I633 M636 E648 F649 F652 | A599-M644 CarbonylContact C-O 3.57Å; A599-M644 WeakPolarHBondContact CA-O 3.46Å; I600-M644 HydrophobicContact CB-CB 4.38Å; I600-M644 PolarHBondContact N-O 3.39Å; I600-M644 PolarHBondContact O-N 2.73Å; L605-M644 HydrophobicContact CD2-CE 4.29Å; I632-M644 HydrophobicContact CG2-CE 4.03Å; I633-M644 HydrophobicContact CG1-CE 3.9Å; M636-M644 HydrophobicContact CB-CE 3.79Å; M636-M644 HydrophobicContact CB-SD 4.38Å; M636-M644 HydrophobicContact CG-CE 4.07Å; M644-E648 HydrophobicContact CG-CB 3.69Å; M644-F649 HydrophobicContact CG-CB 4.21Å; M644-F649 VanDerWaalsContact SD-CA 3.57Å; M644-F649 HydrophobicContact SD-CB 4.02Å; M644-F649 HydrophobicContact SD-CD2 3.95Å; M644-F652 HydrophobicContact CE-CG 4.37Å; M644-F652 HydrophobicContact SD-CB 3.89Å; M644-F652 HydrophobicContact SD-CD1 4.12Å; M644-F652 HydrophobicContact SD-CG 4.11Å |
| 645 | E | 87.6 | Confident | 81.7 | Confident | 96 Ų | 96 | 43.9 Ų | 43.9 | 45% | 0.449 | 23% | 0.232 | S | C | . | . | trans | -81.8 | 168.4 | 175.3 | -64.8 | -165.8 | 166.1 | 0 | 0 | 112.1 | Q647 E648 F649 | E645-Q647 VanDerWaalsContact C-N 3.32Å; E645-Q647 PolarHBondContact O-N 3.04Å; E645-E648 PolarHBondContact N-OE2 3.39Å; E645-E648 PolarHBondContact O-N 2.85Å; E645-E648 VanDerWaalsContact O-N 3.13Å; E645-F649 WeakPolarHBondContact O-CB 3.26Å; E645-F649 PolarHBondContact O-N 3Å | ||
| 646 | F | 83.8 | Confident | 82 | Confident | 22 Ų | 22 | 43.2 Ų | 43.2 | 10% | 0.096 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.4 | -38.2 | -174 | -179.6 | -107.3 | 0 | 0 | 0 | 114.2 | R587 F590 E648 F649 K650 | R587-F646 VanDerWaalsContact CA-CE2 3.41Å; R587-F646 HydrophobicContact CB-CE2 3.73Å; R587-F646 HydrophobicContact CB-CZ 3.68Å; R587-F646 HydrophobicContact CG-CE2 4.11Å; R587-F646 HydrophobicContact CG-CZ 4.11Å; F590-F646 HydrophobicContact CB-CD2 3.74Å; F590-F646 HydrophobicContact CB-CE2 4.1Å; F590-F646 HydrophobicContact CD1-CB 4.06Å; F590-F646 AromaticContact CD1-CD2 3.82Å; F590-F646 HydrophobicContact CD1-CD2 3.82Å; F590-F646 HydrophobicContact CD1-CG 4.37Å; F590-F646 HydrophobicContact CD2-CB 4.5Å; F590-F646 HydrophobicContact CD2-CD2 4.08Å; F590-F646 HydrophobicContact CE1-CB 3.85Å; F590-F646 HydrophobicContact CE1-CD2 4.47Å; F590-F646 HydrophobicContact CE2-CB 4.3Å; F590-F646 HydrophobicContact CG-CB 4.39Å; F590-F646 AromaticContact CG-CD2 3.61Å; F590-F646 HydrophobicContact CG-CD2 3.61Å; F590-F646 HydrophobicContact CG-CE2 4.45Å; F590-F646 HydrophobicContact CG-CG 4.48Å; F590-F646 HydrophobicContact CZ-CB 3.98Å; F590-F646 VanDerWaalsContact CZ-N 3.34Å; F646-E648 VanDerWaalsContact C-N 3.35Å; F646-F649 PolarHBondContact O-N 2.91Å; F646-K650 WeakPolarHBondContact O-CB 3.02Å; F646-K650 PolarHBondContact O-N 2.82Å |
| 647 | Q | 80.7 | Confident | 82.2 | Confident | 123 Ų | 123 | 46.4 Ų | 46.4 | 58% | 0.575 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -67.8 | -38.1 | 179.8 | -66.8 | -62.2 | -22.1 | 0 | 0 | 111.6 | E645 V651 | E645-Q647 VanDerWaalsContact C-N 3.32Å; E645-Q647 PolarHBondContact O-N 3.04Å; Q647-V651 PolarHBondContact O-N 3.49Å |
| 648 | E | 83.6 | Confident | 82.7 | Confident | 22 Ų | 22 | 51.3 Ų | 51.3 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.7 | -44.3 | 175.1 | -60.6 | 172.8 | 145 | 0 | 0 | 110 | M636 V638 M644 E645 F646 K650 V651 F652 | M636-E648 WeakPolarHBondContact CE-O 3.24Å; M636-E648 VanDerWaalsContact O-CD 3.27Å; M636-E648 WeakPolarHBondContact O-CG 3.33Å; M636-E648 VanDerWaalsContact O-OE1 3.14Å; V638-E648 PolarHBondContact N-OE1 3.39Å; M644-E648 HydrophobicContact CG-CB 3.69Å; E645-E648 PolarHBondContact N-OE2 3.39Å; E645-E648 PolarHBondContact O-N 2.85Å; E645-E648 VanDerWaalsContact O-N 3.13Å; F646-E648 VanDerWaalsContact C-N 3.35Å; E648-K650 VanDerWaalsContact C-N 3.28Å; E648-K650 PolarHBondContact O-N 3.41Å; E648-V651 PolarHBondContact O-N 3.14Å; E648-V651 VanDerWaalsContact O-N 3.14Å; E648-F652 WeakPolarHBondContact O-CB 3.28Å; E648-F652 PolarHBondContact O-N 3.14Å |
| 649 | F | 85.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.1 | -38.7 | 176.7 | -176.8 | -107.1 | 0 | 0 | 0 | 113 | L586 F590 I600 M608 M644 E645 F646 F652 W653 | L586-F649 HydrophobicContact CD1-CD1 4.29Å; L586-F649 HydrophobicContact CD1-CE1 3.56Å; L586-F649 HydrophobicContact CD1-CZ 4.3Å; L586-F649 HydrophobicContact CG-CD1 4.31Å; L586-F649 HydrophobicContact CG-CE1 4Å; F590-F649 HydrophobicContact CB-CD1 3.98Å; F590-F649 HydrophobicContact CB-CE1 4.08Å; F590-F649 HydrophobicContact CD2-CB 3.72Å; F590-F649 AromaticContact CD2-CD1 3.62Å; F590-F649 HydrophobicContact CD2-CD1 3.62Å; F590-F649 HydrophobicContact CD2-CD2 4.34Å; F590-F649 HydrophobicContact CD2-CE1 4.3Å; F590-F649 AromaticContact CD2-CG 3.63Å; F590-F649 HydrophobicContact CD2-CG 3.63Å; F590-F649 HydrophobicContact CE2-CB 3.89Å; F590-F649 HydrophobicContact CE2-CG 4.23Å; F590-F649 HydrophobicContact CG-CD1 4.24Å; I600-F649 HydrophobicContact CD1-CD2 3.61Å; I600-F649 HydrophobicContact CD1-CE2 3.72Å; I600-F649 HydrophobicContact CD1-CG 4.11Å; I600-F649 HydrophobicContact CD1-CZ 4.3Å; M608-F649 HydrophobicContact CE-CE2 3.82Å; M608-F649 HydrophobicContact CE-CZ 4.13Å; M644-F649 HydrophobicContact CG-CB 4.21Å; M644-F649 VanDerWaalsContact SD-CA 3.57Å; M644-F649 HydrophobicContact SD-CB 4.02Å; M644-F649 HydrophobicContact SD-CD2 3.95Å; E645-F649 WeakPolarHBondContact O-CB 3.26Å; E645-F649 PolarHBondContact O-N 3Å; F646-F649 PolarHBondContact O-N 2.91Å; F649-F652 AromaticContact CD2-CD1 3.94Å; F649-F652 HydrophobicContact CD2-CD1 3.94Å; F649-F652 HydrophobicContact CE2-CD1 4.05Å; F649-F652 HydrophobicContact CE2-CE1 4.27Å; F649-F652 WeakPolarHBondContact O-CB 3.4Å; F649-F652 PolarHBondContact O-N 2.73Å; F649-W653 HydrophobicContact CZ-CE3 4.25Å; F649-W653 WeakPolarHBondContact O-CB 3.28Å; F649-W653 PolarHBondContact O-N 2.96Å |
| 650 | K | 83.2 | Confident | 84.7 | Confident | 58 Ų | 58 | 47.6 Ų | 47.6 | 25% | 0.252 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.8 | -50.1 | 175 | -176.9 | -176.6 | 177.5 | -176.7 | 0 | 111.7 | E583 L586 F646 E648 F652 W653 D654 | E583-K650 WeakPolarHBondContact OE1-CE 3.25Å; E583-K650 IonicContact OE1-NZ 2.57Å; E583-K650 PolarHBondContact OE1-NZ 3.22Å; L586-K650 HydrophobicContact CD2-CB 4.4Å; L586-K650 HydrophobicContact CD2-CG 4.26Å; F646-K650 WeakPolarHBondContact O-CB 3.02Å; F646-K650 PolarHBondContact O-N 2.82Å; E648-K650 VanDerWaalsContact C-N 3.28Å; E648-K650 PolarHBondContact O-N 3.41Å; K650-F652 VanDerWaalsContact C-N 3.33Å; K650-F652 PolarHBondContact O-N 3.01Å; K650-W653 PolarHBondContact O-N 3.16Å; K650-D654 PolarHBondContact O-N 3.18Å |
| 651 | V | 83.9 | Confident | 85.5 | Confident | 63 Ų | 63 | 49.7 Ų | 49.7 | 38% | 0.382 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.5 | -40.5 | 179 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | M636 Q647 E648 D654 K655 | M636-V651 HydrophobicContact CE-CB 3.76Å; M636-V651 HydrophobicContact CE-CG1 3.81Å; Q647-V651 PolarHBondContact O-N 3.49Å; E648-V651 PolarHBondContact O-N 3.14Å; E648-V651 VanDerWaalsContact O-N 3.14Å; V651-D654 PolarHBondContact O-N 3.3Å; V651-K655 HydrophobicContact CG1-CD 4.41Å; V651-K655 WeakPolarHBondContact O-CG 3.28Å; V651-K655 PolarHBondContact O-N 3.45Å; V651-K655 VanDerWaalsContact O-N 3.13Å |
| 652 | F | 87.6 | Confident | 86 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.9 | -48.4 | 174.6 | 163.1 | -111.9 | 0 | 0 | 0 | 111.4 | L605 M608 L609 I632 M636 M644 E648 F649 K650 D654 K655 M656 W659 | L605-F652 HydrophobicContact CD1-CE1 3.77Å; L605-F652 HydrophobicContact CD1-CZ 4.08Å; M608-F652 HydrophobicContact CE-CE1 4.3Å; L609-F652 HydrophobicContact CD1-CZ 4.03Å; L609-F652 HydrophobicContact CD2-CE1 4.33Å; L609-F652 HydrophobicContact CD2-CZ 4.01Å; I632-F652 HydrophobicContact CB-CE2 4.46Å; I632-F652 HydrophobicContact CD1-CE2 4.12Å; I632-F652 HydrophobicContact CD1-CZ 4.46Å; I632-F652 HydrophobicContact CG1-CE2 4.33Å; I632-F652 HydrophobicContact CG2-CD2 3.48Å; I632-F652 VanDerWaalsContact CG2-CD2 3.48Å; I632-F652 HydrophobicContact CG2-CE2 3.31Å; I632-F652 HydrophobicContact CG2-CG 4.32Å; I632-F652 HydrophobicContact CG2-CZ 4.02Å; M636-F652 HydrophobicContact CE-CB 3.82Å; M636-F652 HydrophobicContact CG-CB 3.96Å; M636-F652 HydrophobicContact CG-CD2 4.34Å; M636-F652 HydrophobicContact CG-CG 4.5Å; M636-F652 HydrophobicContact SD-CB 4.03Å; M644-F652 HydrophobicContact CE-CG 4.37Å; M644-F652 HydrophobicContact SD-CB 3.89Å; M644-F652 HydrophobicContact SD-CD1 4.12Å; M644-F652 HydrophobicContact SD-CG 4.11Å; E648-F652 WeakPolarHBondContact O-CB 3.28Å; E648-F652 PolarHBondContact O-N 3.14Å; F649-F652 AromaticContact CD2-CD1 3.94Å; F649-F652 HydrophobicContact CD2-CD1 3.94Å; F649-F652 HydrophobicContact CE2-CD1 4.05Å; F649-F652 HydrophobicContact CE2-CE1 4.27Å; F649-F652 WeakPolarHBondContact O-CB 3.4Å; F649-F652 PolarHBondContact O-N 2.73Å; K650-F652 VanDerWaalsContact C-N 3.33Å; K650-F652 PolarHBondContact O-N 3.01Å; F652-D654 VanDerWaalsContact C-N 3.32Å; F652-D654 PolarHBondContact O-N 2.76Å; F652-K655 WeakPolarHBondContact O-CB 3.38Å; F652-K655 PolarHBondContact O-N 2.68Å; F652-K655 VanDerWaalsContact O-N 3.14Å; F652-M656 HydrophobicContact CE2-CB 4.09Å; F652-M656 HydrophobicContact CZ-CB 4.12Å; F652-M656 HydrophobicContact CZ-CG 4.23Å; F652-M656 WeakPolarHBondContact O-CB 3.33Å; F652-M656 PolarHBondContact O-N 2.87Å; F652-W659 HydrophobicContact CE2-CZ3 4.47Å |
| 653 | W | 87 | Confident | 86.4 | Confident | 35 Ų | 35 | 45.8 Ų | 45.8 | 13% | 0.133 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62 | -40.6 | -176 | -168.4 | -112.3 | 0 | 0 | 0 | 112.4 | L586 L589 M608 V612 F649 K650 M656 K657 | L586-W653 HydrophobicContact CD1-CB 4.08Å; L586-W653 VanDerWaalsContact CD1-CD1 3.41Å; L586-W653 HydrophobicContact CD1-CD2 3.85Å; L586-W653 HydrophobicContact CD1-CG 3.53Å; L586-W653 HydrophobicContact CD2-CB 4.12Å; L586-W653 HydrophobicContact CD2-CG 4.21Å; L589-W653 HydrophobicContact CD2-CH2 4.33Å; L589-W653 HydrophobicContact CD2-CZ2 4.49Å; M608-W653 HydrophobicContact CE-CE3 4.41Å; M608-W653 HydrophobicContact CE-CZ3 3.87Å; M608-W653 HydrophobicContact SD-CH2 4.27Å; M608-W653 HydrophobicContact SD-CZ3 3.74Å; V612-W653 HydrophobicContact CG1-CH2 4.32Å; V612-W653 HydrophobicContact CG2-CH2 4.29Å; F649-W653 HydrophobicContact CZ-CE3 4.25Å; F649-W653 WeakPolarHBondContact O-CB 3.28Å; F649-W653 PolarHBondContact O-N 2.96Å; K650-W653 PolarHBondContact O-N 3.16Å; W653-M656 HydrophobicContact CH2-CE 4.12Å; W653-M656 HydrophobicContact CZ3-CE 3.95Å; W653-M656 PolarHBondContact O-N 2.85Å; W653-K657 VanDerWaalsContact CD1-CE 3.47Å; W653-K657 VanDerWaalsContact NE1-CE 3.28Å; W653-K657 WeakPolarHBondContact O-CG 3.4Å; W653-K657 PolarHBondContact O-N 2.92Å |
| 654 | D | 85.1 | Confident | 86.5 | Confident | 72 Ų | 72 | 45.5 Ų | 45.5 | 39% | 0.385 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -67.5 | -36.4 | 176.1 | -73 | -21.7 | 0 | 0 | 0 | 112.5 | K650 V651 F652 K657 K658 | K650-D654 PolarHBondContact O-N 3.18Å; V651-D654 PolarHBondContact O-N 3.3Å; F652-D654 VanDerWaalsContact C-N 3.32Å; F652-D654 PolarHBondContact O-N 2.76Å; D654-K657 IonicContact OD1-NZ 3.95Å; D654-K658 WeakPolarHBondContact O-CG 3.39Å; D654-K658 PolarHBondContact O-N 3.25Å |
| 655 | K | 87.3 | Confident | 86.5 | Confident | 31 Ų | 31 | 48.9 Ų | 48.9 | 14% | 0.135 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.6 | -46.3 | 172.5 | -75.8 | 178.9 | 171.3 | -68.1 | 0 | 111.8 | M636 V651 F652 K657 K658 W659 E722 | M636-K655 HydrophobicContact SD-CD 4.2Å; V651-K655 HydrophobicContact CG1-CD 4.41Å; V651-K655 WeakPolarHBondContact O-CG 3.28Å; V651-K655 PolarHBondContact O-N 3.45Å; V651-K655 VanDerWaalsContact O-N 3.13Å; F652-K655 WeakPolarHBondContact O-CB 3.38Å; F652-K655 PolarHBondContact O-N 2.68Å; F652-K655 VanDerWaalsContact O-N 3.14Å; K655-K657 VanDerWaalsContact C-N 3.33Å; K655-K657 PolarHBondContact O-N 3.29Å; K655-K658 WeakPolarHBondContact O-CA 3.44Å; K655-K658 WeakPolarHBondContact O-CB 3.33Å; K655-K658 PolarHBondContact O-N 3.22Å; K655-W659 HydrophobicContact CB-CD2 4.35Å; K655-W659 HydrophobicContact CB-CE3 4.35Å; K655-W659 HydrophobicContact CB-CH2 3.88Å; K655-W659 HydrophobicContact CB-CZ2 3.89Å; K655-W659 HydrophobicContact CB-CZ3 4.12Å; K655-W659 HydrophobicContact CD-CH2 4.17Å; K655-W659 HydrophobicContact CD-CZ2 4.08Å; K655-W659 HydrophobicContact CG-CZ2 4.38Å; K655-W659 PolarHBondContact O-N 2.88Å; K655-E722 IonicContact NZ-OE1 2.69Å; K655-E722 PolarHBondContact NZ-OE1 3.45Å; K655-E722 IonicContact NZ-OE2 2.77Å; K655-E722 PolarHBondContact NZ-OE2 3.35Å |
| 656 | M | 88.1 | Confident | 86.4 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 4% | 0.044 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.3 | -47.4 | 178.2 | -178.9 | -71 | -137.6 | 0 | 0 | 110.7 | L609 V612 F652 W653 K658 W659 I660 | L609-M656 HydrophobicContact CD2-CE 4.13Å; L609-M656 HydrophobicContact CD2-CG 4.48Å; V612-M656 HydrophobicContact CG1-CE 4.32Å; F652-M656 HydrophobicContact CE2-CB 4.09Å; F652-M656 HydrophobicContact CZ-CB 4.12Å; F652-M656 HydrophobicContact CZ-CG 4.23Å; F652-M656 WeakPolarHBondContact O-CB 3.33Å; F652-M656 PolarHBondContact O-N 2.87Å; W653-M656 HydrophobicContact CH2-CE 4.12Å; W653-M656 HydrophobicContact CZ3-CE 3.95Å; W653-M656 PolarHBondContact O-N 2.85Å; M656-K658 VanDerWaalsContact C-N 3.28Å; M656-K658 PolarHBondContact O-N 2.74Å; M656-W659 PolarHBondContact O-N 2.55Å; M656-I660 HydrophobicContact CE-CD1 3.49Å; M656-I660 VanDerWaalsContact CE-CD1 3.49Å; M656-I660 WeakPolarHBondContact O-CG1 3.42Å; M656-I660 PolarHBondContact O-N 2.84Å; M656-I660 HydrophobicContact SD-CD1 3.19Å; M656-I660 WeakPolarHBondContact SD-CD1 3.5Å; M656-I660 HydrophobicContact SD-CG1 3.78Å |
| 657 | K | 87.4 | Confident | 86.3 | Confident | 79 Ų | 79 | 46.1 Ų | 46.1 | 34% | 0.343 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55 | -44.5 | 175.4 | -73.3 | 175 | -176.1 | 170.4 | 0 | 111.6 | E582 W653 D654 K655 M661 | E582-K657 IonicContact OE2-NZ 3.83Å; W653-K657 VanDerWaalsContact CD1-CE 3.47Å; W653-K657 VanDerWaalsContact NE1-CE 3.28Å; W653-K657 WeakPolarHBondContact O-CG 3.4Å; W653-K657 PolarHBondContact O-N 2.92Å; D654-K657 IonicContact OD1-NZ 3.95Å; K655-K657 VanDerWaalsContact C-N 3.33Å; K655-K657 PolarHBondContact O-N 3.29Å; K657-M661 WeakPolarHBondContact O-CG 3.33Å; K657-M661 PolarHBondContact O-N 2.92Å |
| 658 | K | 89 | Confident | 85.9 | Confident | 119 Ų | 119 | 45.4 Ų | 45.4 | 52% | 0.517 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.5 | -45.1 | 178.4 | -69.4 | 173.7 | -176.9 | 177.5 | 0 | 112.1 | D654 K655 M656 I660 M661 L662 | D654-K658 WeakPolarHBondContact O-CG 3.39Å; D654-K658 PolarHBondContact O-N 3.25Å; K655-K658 WeakPolarHBondContact O-CA 3.44Å; K655-K658 WeakPolarHBondContact O-CB 3.33Å; K655-K658 PolarHBondContact O-N 3.22Å; M656-K658 VanDerWaalsContact C-N 3.28Å; M656-K658 PolarHBondContact O-N 2.74Å; K658-I660 PolarHBondContact O-N 2.87Å; K658-M661 HydrophobicContact CG-CE 4.38Å; K658-M661 PolarHBondContact O-N 2.98Å; K658-L662 WeakPolarHBondContact O-CG 3.28Å; K658-L662 PolarHBondContact O-N 3.03Å |
| 659 | W | 90.1 | Very high | 85.5 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 178.1 | -61 | -32.6 | 0 | 0 | 0 | 112.1 | L635 F652 K655 M656 L662 F663 Y714 L715 I718 V719 E722 | L635-W659 HydrophobicContact CD2-CH2 3.87Å; L635-W659 HydrophobicContact CD2-CZ2 4.2Å; F652-W659 HydrophobicContact CE2-CZ3 4.47Å; K655-W659 HydrophobicContact CB-CD2 4.35Å; K655-W659 HydrophobicContact CB-CE3 4.35Å; K655-W659 HydrophobicContact CB-CH2 3.88Å; K655-W659 HydrophobicContact CB-CZ2 3.89Å; K655-W659 HydrophobicContact CB-CZ3 4.12Å; K655-W659 HydrophobicContact CD-CH2 4.17Å; K655-W659 HydrophobicContact CD-CZ2 4.08Å; K655-W659 HydrophobicContact CG-CZ2 4.38Å; K655-W659 PolarHBondContact O-N 2.88Å; M656-W659 PolarHBondContact O-N 2.55Å; W659-L662 PolarHBondContact O-N 2.9Å; W659-F663 WeakPolarHBondContact O-CB 3.28Å; W659-F663 PolarHBondContact O-N 2.81Å; W659-Y714 HydrophobicContact CB-CE1 4.3Å; W659-Y714 PolarHBondContact O-OH 3.11Å; W659-L715 HydrophobicContact CB-CD1 4.49Å; W659-L715 HydrophobicContact CD2-CD1 4.26Å; W659-L715 HydrophobicContact CE3-CD1 3.49Å; W659-L715 VanDerWaalsContact CE3-CD1 3.49Å; W659-L715 HydrophobicContact CZ3-CD1 4.05Å; W659-I718 VanDerWaalsContact CD1-CD1 3.4Å; W659-I718 HydrophobicContact CD2-CG2 4.16Å; W659-I718 HydrophobicContact CG-CD1 4.15Å; W659-I718 HydrophobicContact CG-CG2 4.18Å; W659-V719 HydrophobicContact CE3-CG2 4.29Å; W659-V719 HydrophobicContact CH2-CG2 3.55Å; W659-V719 HydrophobicContact CZ2-CG2 4.21Å; W659-V719 HydrophobicContact CZ3-CG2 3.59Å; W659-E722 WeakPolarHBondContact CZ2-OE2 3.5Å |
| 660 | I | 88.1 | Confident | 85.1 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 171.4 | -71.3 | -176.2 | 0 | 0 | 0 | 111.1 | L613 I619 M656 K658 L662 F663 L664 F711 | L613-I660 HydrophobicContact CD2-CD1 3.65Å; L613-I660 HydrophobicContact CD2-CG1 4.5Å; I619-I660 HydrophobicContact CD1-CG2 4.48Å; M656-I660 HydrophobicContact CE-CD1 3.49Å; M656-I660 VanDerWaalsContact CE-CD1 3.49Å; M656-I660 WeakPolarHBondContact O-CG1 3.42Å; M656-I660 PolarHBondContact O-N 2.84Å; M656-I660 HydrophobicContact SD-CD1 3.19Å; M656-I660 WeakPolarHBondContact SD-CD1 3.5Å; M656-I660 HydrophobicContact SD-CG1 3.78Å; K658-I660 PolarHBondContact O-N 2.87Å; I660-L662 VanDerWaalsContact C-N 3.32Å; I660-L662 PolarHBondContact O-N 2.79Å; I660-F663 PolarHBondContact O-N 3.38Å; I660-L664 HydrophobicContact CG2-CD1 3.7Å; I660-L664 HydrophobicContact CG2-CG 4.27Å; I660-L664 WeakPolarHBondContact O-CG 3.43Å; I660-L664 PolarHBondContact O-N 3.38Å; I660-F711 HydrophobicContact CD1-CZ 4.39Å; I660-F711 HydrophobicContact CG1-CE2 4.07Å; I660-F711 HydrophobicContact CG1-CZ 3.61Å |
| 661 | M | 88.5 | Confident | 84.9 | Confident | 121 Ų | 121 | 59.7 Ų | 59.7 | 60% | 0.596 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -61.7 | -41.7 | 179.6 | -75.2 | -168.1 | -57.9 | 0 | 0 | 111.8 | K657 K658 L664 S665 | K657-M661 WeakPolarHBondContact O-CG 3.33Å; K657-M661 PolarHBondContact O-N 2.92Å; K658-M661 HydrophobicContact CG-CE 4.38Å; K658-M661 PolarHBondContact O-N 2.98Å; M661-L664 PolarHBondContact O-N 3.21Å; M661-S665 VanDerWaalsContact O-CB 3.23Å; M661-S665 WeakPolarHBondContact O-CB 3.18Å; M661-S665 PolarHBondContact O-N 2.83Å; M661-S665 PolarHBondContact O-OG 2.86Å; M661-S665 VanDerWaalsContact O-OG 3.1Å |
| 662 | L | 90.4 | Very high | 84.7 | Confident | 31 Ų | 31 | 56.9 Ų | 56.9 | 16% | 0.162 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.6 | -51.9 | 174.7 | -74.4 | 169.4 | 0 | 0 | 0 | 110.5 | K658 W659 I660 L664 S665 F666 A685 A686 Y714 | K658-L662 WeakPolarHBondContact O-CG 3.28Å; K658-L662 PolarHBondContact O-N 3.03Å; W659-L662 PolarHBondContact O-N 2.9Å; I660-L662 VanDerWaalsContact C-N 3.32Å; I660-L662 PolarHBondContact O-N 2.79Å; L662-L664 PolarHBondContact O-N 2.84Å; L662-S665 WeakPolarHBondContact CA-OG 3.15Å; L662-S665 PolarHBondContact O-N 3.44Å; L662-S665 VanDerWaalsContact O-N 3.13Å; L662-S665 PolarHBondContact O-OG 2.61Å; L662-F666 HydrophobicContact CD2-CD2 4.4Å; L662-F666 HydrophobicContact CD2-CE2 3.93Å; L662-F666 VanDerWaalsContact O-CD2 3.28Å; L662-F666 WeakPolarHBondContact O-CD2 3.39Å; L662-F666 PolarHBondContact O-N 2.87Å; L662-F666 VanDerWaalsContact O-N 3.1Å; L662-A685 HydrophobicContact CD2-CB 3.74Å; L662-A686 HydrophobicContact CD1-CB 3.77Å; L662-Y714 WeakPolarHBondContact CB-OH 3.4Å |
| 663 | F | 87.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -52 | -52.9 | 177.6 | -173.5 | -89.3 | 0 | 0 | 0 | 112.2 | I619 W659 I660 S665 F666 D667 M674 F711 Y714 | I619-F663 HydrophobicContact CG2-CE1 4.44Å; W659-F663 WeakPolarHBondContact O-CB 3.28Å; W659-F663 PolarHBondContact O-N 2.81Å; I660-F663 PolarHBondContact O-N 3.38Å; F663-S665 VanDerWaalsContact C-N 3.31Å; F663-S665 PolarHBondContact O-N 2.75Å; F663-F666 PolarHBondContact O-N 3.02Å; F663-D667 WeakPolarHBondContact O-CB 3.49Å; F663-D667 PolarHBondContact O-N 3.01Å; F663-M674 HydrophobicContact CB-CE 4.3Å; F663-M674 HydrophobicContact CD2-CB 4.43Å; F663-M674 HydrophobicContact CD2-CE 3.61Å; F663-M674 HydrophobicContact CE2-CB 3.88Å; F663-M674 HydrophobicContact CE2-CE 4.19Å; F663-M674 HydrophobicContact CG-CE 4.1Å; F663-F711 HydrophobicContact CB-CD2 4.16Å; F663-F711 HydrophobicContact CB-CE2 3.99Å; F663-F711 AromaticContact CD1-CD2 3.78Å; F663-F711 HydrophobicContact CD1-CD2 3.78Å; F663-F711 HydrophobicContact CD1-CE2 4.33Å; F663-F711 AromaticContact CD2-CD2 3.73Å; F663-F711 HydrophobicContact CD2-CD2 3.73Å; F663-F711 HydrophobicContact CD2-CE2 4.35Å; F663-F711 HydrophobicContact CE1-CD2 4.06Å; F663-F711 HydrophobicContact CE2-CB 4.31Å; F663-F711 HydrophobicContact CE2-CD2 4.01Å; F663-F711 AromaticContact CG-CD2 3.61Å; F663-F711 HydrophobicContact CG-CD2 3.61Å; F663-F711 AromaticContact CG-CE2 3.97Å; F663-F711 HydrophobicContact CG-CE2 3.97Å; F663-F711 HydrophobicContact CZ-CB 4.17Å; F663-F711 HydrophobicContact CZ-CD2 4.17Å; F663-Y714 HydrophobicContact CB-CD1 4.2Å; F663-Y714 HydrophobicContact CB-CE1 3.86Å; F663-Y714 AromaticContact CD2-CD1 3.61Å; F663-Y714 HydrophobicContact CD2-CD1 3.61Å; F663-Y714 HydrophobicContact CD2-CD2 4.16Å; F663-Y714 HydrophobicContact CD2-CE1 4.09Å; F663-Y714 AromaticContact CD2-CG 3.65Å; F663-Y714 HydrophobicContact CD2-CG 3.65Å; F663-Y714 HydrophobicContact CE2-CD1 4.46Å; F663-Y714 HydrophobicContact CE2-CG 4.23Å; F663-Y714 HydrophobicContact CG-CD1 4.3Å; F663-Y714 HydrophobicContact CG-CE1 4.44Å |
| 664 | L | 86.3 | Confident | 84.5 | Confident | 60 Ų | 60 | 57.1 Ų | 57.1 | 31% | 0.314 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68 | -28.2 | -178.6 | -66.4 | 174.5 | 0 | 0 | 0 | 113.7 | E618 I619 I660 M661 L662 | E618-L664 HydrophobicContact CB-CD2 3.89Å; I619-L664 HydrophobicContact CG1-CD2 3.91Å; I660-L664 HydrophobicContact CG2-CD1 3.7Å; I660-L664 HydrophobicContact CG2-CG 4.27Å; I660-L664 WeakPolarHBondContact O-CG 3.43Å; I660-L664 PolarHBondContact O-N 3.38Å; M661-L664 PolarHBondContact O-N 3.21Å; L662-L664 PolarHBondContact O-N 2.84Å |
| 665 | S | 85.4 | Confident | 84.3 | Confident | 70 Ų | 70 | 55 Ų | 55 | 49% | 0.49 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -76.9 | -26.6 | 179.1 | 66.9 | 0 | 0 | 0 | 0 | 113.1 | M661 L662 F663 | M661-S665 VanDerWaalsContact O-CB 3.23Å; M661-S665 WeakPolarHBondContact O-CB 3.18Å; M661-S665 PolarHBondContact O-N 2.83Å; M661-S665 PolarHBondContact O-OG 2.86Å; M661-S665 VanDerWaalsContact O-OG 3.1Å; L662-S665 WeakPolarHBondContact CA-OG 3.15Å; L662-S665 PolarHBondContact O-N 3.44Å; L662-S665 VanDerWaalsContact O-N 3.13Å; L662-S665 PolarHBondContact O-OG 2.61Å; F663-S665 VanDerWaalsContact C-N 3.31Å; F663-S665 PolarHBondContact O-N 2.75Å |
| 666 | F | 85.1 | Confident | 83.6 | Confident | 49 Ų | 49 | 54.1 Ų | 54.1 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -107.4 | -9.8 | -176.6 | -71.8 | -74.1 | 0 | 0 | 0 | 114 | L662 F663 T668 M674 E678 T681 A682 A685 | L662-F666 HydrophobicContact CD2-CD2 4.4Å; L662-F666 HydrophobicContact CD2-CE2 3.93Å; L662-F666 VanDerWaalsContact O-CD2 3.28Å; L662-F666 WeakPolarHBondContact O-CD2 3.39Å; L662-F666 PolarHBondContact O-N 2.87Å; L662-F666 VanDerWaalsContact O-N 3.1Å; F663-F666 PolarHBondContact O-N 3.02Å; F666-T668 PolarHBondContact O-N 3.28Å; F666-M674 HydrophobicContact CB-CE 4.17Å; F666-E678 WeakPolarHBondContact O-CB 3.22Å; F666-E678 WeakPolarHBondContact O-CG 3.22Å; F666-T681 HydrophobicContact CE1-CG2 4.24Å; F666-A682 HydrophobicContact CB-CB 4.12Å; F666-A682 HydrophobicContact CD2-CB 3.79Å; F666-A682 HydrophobicContact CG-CB 4.03Å; F666-A685 HydrophobicContact CE2-CB 3.52Å; F666-A685 HydrophobicContact CZ-CB 3.62Å |
| 667 | D | 82.1 | Confident | 83.1 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 6% | 0.059 | 28% | 0.275 | C | S | . | . | trans | -71.7 | 75.3 | 161.6 | 178.1 | 9.9 | 0 | 0 | 0 | 109 | F663 D669 R670 S671 G672 | F663-D667 WeakPolarHBondContact O-CB 3.49Å; F663-D667 PolarHBondContact O-N 3.01Å; D667-D669 VanDerWaalsContact C-N 3.31Å; D667-D669 PolarHBondContact O-N 3.05Å; D667-R670 PolarHBondContact O-N 3.39Å; D667-R670 WeakPolarHBondContact OD1-CA 3.48Å; D667-R670 PolarHBondContact OD1-N 2.72Å; D667-S671 PolarHBondContact OD1-N 2.83Å; D667-S671 PolarHBondContact OD1-OG 3.26Å; D667-G672 VanDerWaalsContact OD2-CA 3.28Å; D667-G672 WeakPolarHBondContact OD2-CA 3.35Å; D667-G672 PolarHBondContact OD2-N 3.1Å | ||
| 668 | T | 72.5 | Confident | 83 | Confident | 108 Ų | 108 | 52 Ų | 52 | 66% | 0.663 | 26% | 0.263 | S | S | * | . | trans | -72.8 | -28.8 | -169.5 | 56 | 0 | 0 | 0 | 0 | 112.5 | F666 E678 | F666-T668 PolarHBondContact O-N 3.28Å; T668-E678 PolarHBondContact N-OE1 2.92Å; T668-E678 PolarHBondContact OG1-OE1 2.97Å | ||
| 669 | D | 74.2 | Confident | 82.8 | Confident | 108 Ų | 108 | 46.4 Ų | 46.4 | 58% | 0.578 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -88.6 | -6.5 | 177.9 | 71.5 | -2.5 | 0 | 0 | 0 | 113.3 | D667 S671 | D667-D669 VanDerWaalsContact C-N 3.31Å; D667-D669 PolarHBondContact O-N 3.05Å; D669-S671 PolarHBondContact O-N 3.3Å; D669-S671 WeakPolarHBondContact OD1-CB 3.25Å; D669-S671 PolarHBondContact OD1-N 3.01Å; D669-S671 PolarHBondContact OD1-OG 2.63Å |
| 670 | R | 78.1 | Confident | 82.6 | Confident | 220 Ų | 220 | 47.1 Ų | 47.1 | 83% | 0.83 | 24% | 0.242 | S | C | * | . | trans | 57.1 | 33.7 | -178.2 | -55 | -178.4 | 179.4 | -176.7 | -1.1 | 111.9 | D667 G672 | D667-R670 PolarHBondContact O-N 3.39Å; D667-R670 WeakPolarHBondContact OD1-CA 3.48Å; D667-R670 PolarHBondContact OD1-N 2.72Å; R670-G672 PolarHBondContact O-N 2.88Å | ||
| 671 | S | 80.1 | Confident | 82.4 | Confident | 52 Ų | 52 | 49.3 Ų | 49.3 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | trans | -67.1 | -17.1 | 175.1 | 61.8 | 0 | 0 | 0 | 0 | 111.8 | D667 D669 K673 | D667-S671 PolarHBondContact OD1-N 2.83Å; D667-S671 PolarHBondContact OD1-OG 3.26Å; D669-S671 PolarHBondContact O-N 3.3Å; D669-S671 WeakPolarHBondContact OD1-CB 3.25Å; D669-S671 PolarHBondContact OD1-N 3.01Å; D669-S671 PolarHBondContact OD1-OG 2.63Å; S671-K673 PolarHBondContact O-N 2.93Å; S671-K673 PolarHBondContact OG-N 3.13Å; S671-K673 PolarHBondContact OG-O 3.39Å | ||
| 672 | G | 79.1 | Confident | 82.4 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 74.4 | 8.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K620 D667 R670 | K620-G672 WeakPolarHBondContact CB-O 3.36Å; K620-G672 PolarHBondContact N-O 2.87Å; D667-G672 VanDerWaalsContact OD2-CA 3.28Å; D667-G672 WeakPolarHBondContact OD2-CA 3.35Å; D667-G672 PolarHBondContact OD2-N 3.1Å; R670-G672 PolarHBondContact O-N 2.88Å |
| 673 | K | 84.4 | Confident | 82.4 | Confident | 41 Ų | 41 | 42.2 Ų | 42.2 | 18% | 0.178 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -127.7 | 169.7 | 172.2 | -67.6 | -169 | 171.6 | -172.7 | 0 | 108.2 | S671 D704 D708 | S671-K673 PolarHBondContact O-N 2.93Å; S671-K673 PolarHBondContact OG-N 3.13Å; S671-K673 PolarHBondContact OG-O 3.39Å; K673-D704 IonicContact NZ-OD2 2.62Å; K673-D704 PolarHBondContact NZ-OD2 3.25Å; K673-D708 HydrophobicContact CB-CB 4.12Å; K673-D708 HydrophobicContact CD-CB 3.71Å |
| 674 | M | 86.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 121.1 | 178.4 | -174.8 | 172.6 | -72.6 | 0 | 0 | 109.3 | F663 F666 E678 L679 A682 I709 Y714 | F663-M674 HydrophobicContact CB-CE 4.3Å; F663-M674 HydrophobicContact CD2-CB 4.43Å; F663-M674 HydrophobicContact CD2-CE 3.61Å; F663-M674 HydrophobicContact CE2-CB 3.88Å; F663-M674 HydrophobicContact CE2-CE 4.19Å; F663-M674 HydrophobicContact CG-CE 4.1Å; F666-M674 HydrophobicContact CB-CE 4.17Å; M674-E678 HydrophobicContact CG-CB 3.66Å; M674-L679 HydrophobicContact CG-CB 4.22Å; M674-L679 WeakPolarHBondContact SD-CA 3.41Å; M674-L679 HydrophobicContact SD-CB 3.85Å; M674-L679 HydrophobicContact SD-CD1 3.79Å; M674-L679 HydrophobicContact SD-CG 4.46Å; M674-A682 HydrophobicContact CE-CB 4.08Å; M674-A682 HydrophobicContact SD-CB 4.02Å; M674-I709 PolarHBondContact N-O 2.95Å; M674-I709 WeakPolarHBondContact O-CB 3.45Å; M674-I709 PolarHBondContact O-N 2.65Å; M674-Y714 HydrophobicContact CE-CD2 4.28Å; M674-Y714 HydrophobicContact CE-CE2 4.19Å; M674-Y714 HydrophobicContact SD-CD2 3.87Å; M674-Y714 HydrophobicContact SD-CE2 4.07Å |
| 675 | S | 80.4 | Confident | 82.4 | Confident | 26 Ų | 26 | 48.2 Ų | 48.2 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 152.9 | 168.5 | 66.6 | 0 | 0 | 0 | 0 | 109.8 | Y677 E678 L679 | S675-Y677 PolarHBondContact O-N 3.39Å; S675-Y677 VanDerWaalsContact O-N 3.11Å; S675-E678 WeakPolarHBondContact CB-OE2 2.82Å; S675-E678 PolarHBondContact N-OE2 3.2Å; S675-E678 WeakPolarHBondContact O-CB 3.38Å; S675-E678 PolarHBondContact O-N 3.28Å; S675-E678 VanDerWaalsContact OG-CG 3.32Å; S675-E678 WeakPolarHBondContact OG-CG 3.3Å; S675-E678 PolarHBondContact OG-N 2.85Å; S675-E678 PolarHBondContact OG-OE2 3.47Å; S675-L679 PolarHBondContact O-N 2.73Å |
| 676 | S | 73.3 | Confident | 82.6 | Confident | 13 Ų | 13 | 46 Ų | 46 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.5 | -26.7 | 174 | 57.4 | 0 | 0 | 0 | 0 | 114.5 | G385 R680 | G385-S676 WeakPolarHBondContact CA-OG 3.35Å; G385-S676 WeakPolarHBondContact O-CB 3.17Å; G385-S676 PolarHBondContact O-OG 2.99Å; S676-R680 PolarHBondContact O-N 2.86Å |
| 677 | Y | 76.1 | Confident | 82.7 | Confident | 25 Ų | 25 | 44.8 Ų | 44.8 | 10% | 0.098 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.9 | -43.7 | 174.6 | -55.7 | -60.8 | 0 | 0 | 0 | 111.3 | S386 A388 T397 T400 S675 L679 R680 T681 | S386-Y677 WeakPolarHBondContact O-CE1 3.5Å; A388-Y677 PolarHBondContact O-OH 3.2Å; T397-Y677 HydrophobicContact CG2-CD2 4.15Å; T397-Y677 HydrophobicContact CG2-CE2 3.84Å; T400-Y677 HydrophobicContact CG2-CD1 3.32Å; T400-Y677 HydrophobicContact CG2-CE1 3.76Å; T400-Y677 HydrophobicContact CG2-CG 4.13Å; T400-Y677 WeakPolarHBondContact OG1-CE1 3.49Å; S675-Y677 PolarHBondContact O-N 3.39Å; S675-Y677 VanDerWaalsContact O-N 3.11Å; Y677-L679 VanDerWaalsContact C-N 3.32Å; Y677-R680 WeakPolarHBondContact O-CB 3.48Å; Y677-R680 PolarHBondContact O-N 3.12Å; Y677-T681 PolarHBondContact O-OG1 3.05Å |
| 678 | E | 84.9 | Confident | 83.1 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.2 | -39.3 | 175.1 | -72.1 | 164.6 | 141 | 0 | 0 | 110.7 | F666 T668 M674 S675 R680 T681 A682 | F666-E678 WeakPolarHBondContact O-CB 3.22Å; F666-E678 WeakPolarHBondContact O-CG 3.22Å; T668-E678 PolarHBondContact N-OE1 2.92Å; T668-E678 PolarHBondContact OG1-OE1 2.97Å; M674-E678 HydrophobicContact CG-CB 3.66Å; S675-E678 WeakPolarHBondContact CB-OE2 2.82Å; S675-E678 PolarHBondContact N-OE2 3.2Å; S675-E678 WeakPolarHBondContact O-CB 3.38Å; S675-E678 PolarHBondContact O-N 3.28Å; S675-E678 VanDerWaalsContact OG-CG 3.32Å; S675-E678 WeakPolarHBondContact OG-CG 3.3Å; S675-E678 PolarHBondContact OG-N 2.85Å; S675-E678 PolarHBondContact OG-OE2 3.47Å; E678-R680 VanDerWaalsContact C-N 3.29Å; E678-R680 PolarHBondContact O-N 2.93Å; E678-T681 PolarHBondContact O-N 2.83Å; E678-T681 VanDerWaalsContact O-N 3.12Å; E678-T681 PolarHBondContact O-OG1 3.48Å; E678-A682 PolarHBondContact O-N 2.72Å |
| 679 | L | 85.6 | Confident | 83.8 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.5 | -42.4 | 175.9 | -178 | 67.6 | 0 | 0 | 0 | 112.1 | M674 S675 Y677 T681 A682 L683 I698 I709 Y714 | M674-L679 HydrophobicContact CG-CB 4.22Å; M674-L679 WeakPolarHBondContact SD-CA 3.41Å; M674-L679 HydrophobicContact SD-CB 3.85Å; M674-L679 HydrophobicContact SD-CD1 3.79Å; M674-L679 HydrophobicContact SD-CG 4.46Å; S675-L679 PolarHBondContact O-N 2.73Å; Y677-L679 VanDerWaalsContact C-N 3.32Å; L679-T681 VanDerWaalsContact C-N 3.31Å; L679-T681 PolarHBondContact O-N 3.02Å; L679-A682 PolarHBondContact O-N 3.49Å; L679-L683 HydrophobicContact CD1-CD1 4.16Å; L679-L683 HydrophobicContact CD1-CD2 4.34Å; L679-L683 HydrophobicContact CD1-CG 3.93Å; L679-L683 HydrophobicContact CD2-CD1 4.19Å; L679-L683 HydrophobicContact CG-CD1 3.82Å; L679-L683 HydrophobicContact CG-CG 4.05Å; L679-L683 WeakPolarHBondContact O-CB 3.44Å; L679-L683 VanDerWaalsContact O-CG 3.3Å; L679-L683 WeakPolarHBondContact O-CG 3.19Å; L679-L683 PolarHBondContact O-N 3.4Å; L679-I698 HydrophobicContact CD2-CG2 3.4Å; L679-I709 HydrophobicContact CB-CD1 4.33Å; L679-I709 HydrophobicContact CD2-CD1 3.44Å; L679-I709 VanDerWaalsContact CD2-CD1 3.44Å; L679-I709 HydrophobicContact CG-CD1 4.4Å; L679-Y714 HydrophobicContact CD1-CD2 3.67Å; L679-Y714 HydrophobicContact CD1-CE2 3.94Å |
| 680 | R | 85.4 | Confident | 84.4 | Confident | 25 Ų | 25 | 36.7 Ų | 36.7 | 9% | 0.094 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.4 | -48.2 | 177 | -176.9 | -176.5 | -160.8 | 150.4 | 25.5 | 111.6 | Q455 S676 Y677 E678 K684 N692 L695 | Q455-R680 VanDerWaalsContact NE2-CZ 3.3Å; Q455-R680 VanDerWaalsContact NE2-NH1 3.11Å; Q455-R680 VanDerWaalsContact NE2-NH2 3.2Å; S676-R680 PolarHBondContact O-N 2.86Å; Y677-R680 WeakPolarHBondContact O-CB 3.48Å; Y677-R680 PolarHBondContact O-N 3.12Å; E678-R680 VanDerWaalsContact C-N 3.29Å; E678-R680 PolarHBondContact O-N 2.93Å; R680-K684 PolarHBondContact O-N 2.79Å; R680-K684 VanDerWaalsContact O-N 3.09Å; R680-N692 PolarHBondContact NH2-OD1 2.75Å; R680-L695 HydrophobicContact CB-CD1 4.31Å; R680-L695 HydrophobicContact CB-CD2 4.17Å; R680-L695 HydrophobicContact CG-CD1 3.71Å; R680-L695 HydrophobicContact CG-CD2 4.23Å |
| 681 | T | 84.7 | Confident | 84.8 | Confident | 51 Ų | 51 | 27.5 Ų | 27.5 | 31% | 0.313 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -66.5 | -40.3 | 177.4 | 11.5 | 0 | 0 | 0 | 0 | 112.2 | W399 F666 Y677 E678 L679 K684 A685 | W399-T681 HydrophobicContact CH2-CG2 4.48Å; F666-T681 HydrophobicContact CE1-CG2 4.24Å; Y677-T681 PolarHBondContact O-OG1 3.05Å; E678-T681 PolarHBondContact O-N 2.83Å; E678-T681 VanDerWaalsContact O-N 3.12Å; E678-T681 PolarHBondContact O-OG1 3.48Å; L679-T681 VanDerWaalsContact C-N 3.31Å; L679-T681 PolarHBondContact O-N 3.02Å; T681-K684 PolarHBondContact O-N 3.12Å; T681-A685 WeakPolarHBondContact O-CB 3.49Å; T681-A685 PolarHBondContact O-N 2.79Å |
| 682 | A | 89.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.1 | -42.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F666 M674 E678 L679 A685 A686 | F666-A682 HydrophobicContact CB-CB 4.12Å; F666-A682 HydrophobicContact CD2-CB 3.79Å; F666-A682 HydrophobicContact CG-CB 4.03Å; M674-A682 HydrophobicContact CE-CB 4.08Å; M674-A682 HydrophobicContact SD-CB 4.02Å; E678-A682 PolarHBondContact O-N 2.72Å; L679-A682 PolarHBondContact O-N 3.49Å; A682-A685 PolarHBondContact O-N 3.14Å; A682-A686 WeakPolarHBondContact O-CB 3.36Å; A682-A686 PolarHBondContact O-N 3.39Å |
| 683 | L | 89.3 | Confident | 84.9 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.4 | -41.8 | 175.8 | -68.9 | 174.2 | 0 | 0 | 0 | 111.5 | L679 A685 A686 G687 M688 L690 L695 I698 I718 L721 | L679-L683 HydrophobicContact CD1-CD1 4.16Å; L679-L683 HydrophobicContact CD1-CD2 4.34Å; L679-L683 HydrophobicContact CD1-CG 3.93Å; L679-L683 HydrophobicContact CD2-CD1 4.19Å; L679-L683 HydrophobicContact CG-CD1 3.82Å; L679-L683 HydrophobicContact CG-CG 4.05Å; L679-L683 WeakPolarHBondContact O-CB 3.44Å; L679-L683 VanDerWaalsContact O-CG 3.3Å; L679-L683 WeakPolarHBondContact O-CG 3.19Å; L679-L683 PolarHBondContact O-N 3.4Å; L683-A685 VanDerWaalsContact C-N 3.33Å; L683-A685 PolarHBondContact O-N 2.78Å; L683-A686 CarbonylContact O-C 3.52Å; L683-A686 WeakPolarHBondContact O-CA 3.35Å; L683-A686 WeakPolarHBondContact O-CB 3.18Å; L683-A686 PolarHBondContact O-N 2.77Å; L683-G687 PolarHBondContact O-N 2.74Å; L683-M688 CarbonylContact C-O 3.45Å; L683-M688 HydrophobicContact CD2-CE 3.56Å; L683-M688 PolarHBondContact O-N 3.46Å; L683-M688 VanDerWaalsContact O-O 3.07Å; L683-L690 HydrophobicContact CD1-CD1 3.7Å; L683-L695 HydrophobicContact CD1-CD2 4.38Å; L683-I698 HydrophobicContact CD1-CD1 4.26Å; L683-I718 HydrophobicContact CD2-CG1 4.35Å; L683-L721 HydrophobicContact CD1-CD1 3.99Å; L683-L721 HydrophobicContact CD2-CD1 3.83Å |
| 684 | K | 86.8 | Confident | 85 | Confident | 129 Ų | 129 | 31.1 Ų | 31.1 | 56% | 0.561 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -61.2 | -42.1 | 174.6 | -168.8 | 174.7 | -177.2 | 177.4 | 0 | 111.5 | R680 T681 A686 G687 M688 | R680-K684 PolarHBondContact O-N 2.79Å; R680-K684 VanDerWaalsContact O-N 3.09Å; T681-K684 PolarHBondContact O-N 3.12Å; K684-A686 VanDerWaalsContact C-N 3.28Å; K684-A686 PolarHBondContact O-N 3.3Å; K684-G687 PolarHBondContact O-N 2.74Å; K684-M688 WeakPolarHBondContact CA-O 3.45Å; K684-M688 PolarHBondContact N-O 2.78Å |
| 685 | A | 87.8 | Confident | 84.9 | Confident | 58 Ų | 58 | 31.7 Ų | 31.7 | 48% | 0.479 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -68.6 | -25.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L662 F666 T681 A682 L683 G687 | L662-A685 HydrophobicContact CD2-CB 3.74Å; F666-A685 HydrophobicContact CE2-CB 3.52Å; F666-A685 HydrophobicContact CZ-CB 3.62Å; T681-A685 WeakPolarHBondContact O-CB 3.49Å; T681-A685 PolarHBondContact O-N 2.79Å; A682-A685 PolarHBondContact O-N 3.14Å; L683-A685 VanDerWaalsContact C-N 3.33Å; L683-A685 PolarHBondContact O-N 2.78Å; A685-G687 PolarHBondContact O-N 3.44Å |
| 686 | A | 88.6 | Confident | 85 | Confident | 23 Ų | 23 | 31.5 Ų | 31.5 | 19% | 0.19 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -2.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L662 A682 L683 K684 M688 I718 | L662-A686 HydrophobicContact CD1-CB 3.77Å; A682-A686 WeakPolarHBondContact O-CB 3.36Å; A682-A686 PolarHBondContact O-N 3.39Å; L683-A686 CarbonylContact O-C 3.52Å; L683-A686 WeakPolarHBondContact O-CA 3.35Å; L683-A686 WeakPolarHBondContact O-CB 3.18Å; L683-A686 PolarHBondContact O-N 2.77Å; K684-A686 VanDerWaalsContact C-N 3.28Å; K684-A686 PolarHBondContact O-N 3.3Å; A686-M688 HydrophobicContact CB-CE 4.07Å; A686-I718 HydrophobicContact CB-CD1 4.06Å |
| 687 | G | 88.4 | Confident | 85.5 | Confident | 23 Ų | 23 | 36.1 Ų | 36.1 | 24% | 0.237 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | 5.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A526 D527 L683 K684 A685 | A526-G687 CarbonylContact C-O 3.6Å; A526-G687 WeakPolarHBondContact CA-O 3.43Å; D527-G687 PolarHBondContact N-O 3.01Å; L683-G687 PolarHBondContact O-N 2.74Å; K684-G687 PolarHBondContact O-N 2.74Å; A685-G687 PolarHBondContact O-N 3.44Å |
| 688 | M | 89.4 | Confident | 86 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 116.3 | -179.2 | -64.1 | -177.6 | -75.5 | 0 | 0 | 111.2 | A526 L528 L683 K684 A686 I718 L721 F725 | A526-M688 HydrophobicContact CB-CG 3.96Å; L528-M688 HydrophobicContact CD2-CG 4.01Å; L683-M688 CarbonylContact C-O 3.45Å; L683-M688 HydrophobicContact CD2-CE 3.56Å; L683-M688 PolarHBondContact O-N 3.46Å; L683-M688 VanDerWaalsContact O-O 3.07Å; K684-M688 WeakPolarHBondContact CA-O 3.45Å; K684-M688 PolarHBondContact N-O 2.78Å; A686-M688 HydrophobicContact CB-CE 4.07Å; M688-I718 HydrophobicContact CE-CD1 4.33Å; M688-I718 HydrophobicContact CE-CG1 3.65Å; M688-L721 HydrophobicContact CE-CB 4.31Å; M688-L721 HydrophobicContact SD-CB 3.73Å; M688-F725 HydrophobicContact CB-CE2 4.12Å; M688-F725 HydrophobicContact CG-CD2 4.04Å; M688-F725 HydrophobicContact CG-CE2 3.96Å; M688-F725 HydrophobicContact SD-CD2 3.77Å; M688-F725 HydrophobicContact SD-CE2 3.91Å |
| 689 | N | 86.9 | Confident | 86 | Confident | 47 Ų | 47 | 35 Ų | 35 | 25% | 0.251 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 119.1 | 174.6 | -165.3 | 34.2 | 0 | 0 | 0 | 109.9 | N523 V524 D525 | N523-N689 PolarHBondContact O-ND2 3.5Å; V524-N689 WeakPolarHBondContact CA-O 3.49Å; D525-N689 PolarHBondContact N-O 2.67Å; D525-N689 PolarHBondContact O-N 2.99Å |
| 690 | L | 87.6 | Confident | 85.9 | Confident | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | trans | -118.5 | 142.8 | -178.6 | -57.7 | -174.9 | 0 | 0 | 0 | 110.5 | V524 L683 L694 L695 I698 L721 F725 | V524-L690 HydrophobicContact CG1-CD2 4.28Å; L683-L690 HydrophobicContact CD1-CD1 3.7Å; L690-L694 HydrophobicContact CB-CB 4.23Å; L690-L694 HydrophobicContact CD2-CD1 3.99Å; L690-L695 HydrophobicContact CB-CD2 4.17Å; L690-L695 HydrophobicContact CB-CG 4.08Å; L690-L695 HydrophobicContact CD1-CD2 4.24Å; L690-I698 HydrophobicContact CD1-CD1 3.33Å; L690-L721 HydrophobicContact CD1-CD1 3.99Å; L690-L721 HydrophobicContact CD1-CD2 4.27Å; L690-F725 HydrophobicContact CD2-CE2 3.84Å; L690-F725 HydrophobicContact CD2-CZ 3.67Å | ||
| 691 | N | 85.5 | Confident | 86 | Confident | 28 Ų | 28 | 48.2 Ų | 48.2 | 15% | 0.15 | 25% | 0.253 | C | S | . | . | trans | -76.6 | 168.2 | 172.5 | 71.4 | 15.8 | 0 | 0 | 0 | 111.8 | G521 V524 Q693 L694 L695 | G521-N691 VanDerWaalsContact O-CA 3.3Å; G521-N691 WeakPolarHBondContact O-CA 3.48Å; G521-N691 VanDerWaalsContact O-CB 3.31Å; G521-N691 WeakPolarHBondContact O-CB 3.41Å; V524-N691 HydrophobicContact CG2-CB 3.93Å; N691-Q693 VanDerWaalsContact C-N 3.25Å; N691-Q693 PolarHBondContact O-N 2.92Å; N691-Q693 PolarHBondContact OD1-N 3.17Å; N691-L694 PolarHBondContact O-N 3.17Å; N691-L694 WeakPolarHBondContact OD1-CG 3.31Å; N691-L694 PolarHBondContact OD1-N 3.2Å; N691-L695 WeakPolarHBondContact O-CG 3.03Å; N691-L695 PolarHBondContact O-N 3.34Å; N691-L695 VanDerWaalsContact O-N 3.11Å | ||
| 692 | N | 79.5 | Confident | 86.1 | Confident | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.053 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.2 | -37.3 | -178.9 | -68.5 | -30.6 | 0 | 0 | 0 | 112.6 | T387 R680 L694 L695 Q696 | T387-N692 HydrophobicContact CG2-CB 3.93Å; R680-N692 PolarHBondContact NH2-OD1 2.75Å; N692-L694 PolarHBondContact O-N 3.18Å; N692-L695 PolarHBondContact O-N 2.89Å; N692-Q696 WeakPolarHBondContact O-CB 3.25Å; N692-Q696 WeakPolarHBondContact O-CG 3.48Å; N692-Q696 PolarHBondContact O-N 3.06Å |
| 693 | Q | 82.3 | Confident | 86.1 | Confident | 100 Ų | 100 | 48 Ų | 48 | 47% | 0.467 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | -179.6 | -66.2 | -178.5 | -18.2 | 0 | 0 | 112.2 | N691 Q696 L697 | N691-Q693 VanDerWaalsContact C-N 3.25Å; N691-Q693 PolarHBondContact O-N 2.92Å; N691-Q693 PolarHBondContact OD1-N 3.17Å; Q693-Q696 PolarHBondContact O-N 3.03Å; Q693-L697 WeakPolarHBondContact O-CG 3.2Å; Q693-L697 PolarHBondContact O-N 3.14Å; Q693-L697 VanDerWaalsContact O-N 3.13Å |
| 694 | L | 86.6 | Confident | 85.9 | Confident | 62 Ų | 62 | 50.4 Ų | 50.4 | 33% | 0.325 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.5 | -40 | 176.9 | -70 | 175.1 | 0 | 0 | 0 | 111.5 | V524 L690 N691 N692 Q696 L697 I698 | V524-L694 HydrophobicContact CB-CD1 4.39Å; V524-L694 HydrophobicContact CG1-CD1 3.71Å; V524-L694 HydrophobicContact CG2-CD1 3.7Å; L690-L694 HydrophobicContact CB-CB 4.23Å; L690-L694 HydrophobicContact CD2-CD1 3.99Å; N691-L694 PolarHBondContact O-N 3.17Å; N691-L694 WeakPolarHBondContact OD1-CG 3.31Å; N691-L694 PolarHBondContact OD1-N 3.2Å; N692-L694 PolarHBondContact O-N 3.18Å; L694-Q696 VanDerWaalsContact C-N 3.29Å; L694-Q696 PolarHBondContact O-N 2.52Å; L694-L697 HydrophobicContact CD2-CD1 4.47Å; L694-L697 PolarHBondContact O-N 3.08Å; L694-I698 VanDerWaalsContact O-CG1 3.29Å; L694-I698 WeakPolarHBondContact O-CG1 3.01Å; L694-I698 PolarHBondContact O-N 3Å |
| 695 | L | 84.6 | Confident | 85.7 | Confident | 13 Ų | 13 | 51.6 Ų | 51.6 | 7% | 0.068 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 175.8 | -68.5 | 167.5 | 0 | 0 | 0 | 111.9 | R680 L683 L690 N691 N692 I698 G699 | R680-L695 HydrophobicContact CB-CD1 4.31Å; R680-L695 HydrophobicContact CB-CD2 4.17Å; R680-L695 HydrophobicContact CG-CD1 3.71Å; R680-L695 HydrophobicContact CG-CD2 4.23Å; L683-L695 HydrophobicContact CD1-CD2 4.38Å; L690-L695 HydrophobicContact CB-CD2 4.17Å; L690-L695 HydrophobicContact CB-CG 4.08Å; L690-L695 HydrophobicContact CD1-CD2 4.24Å; N691-L695 WeakPolarHBondContact O-CG 3.03Å; N691-L695 PolarHBondContact O-N 3.34Å; N691-L695 VanDerWaalsContact O-N 3.11Å; N692-L695 PolarHBondContact O-N 2.89Å; L695-I698 PolarHBondContact O-N 2.93Å; L695-G699 PolarHBondContact O-N 3.08Å |
| 696 | Q | 81.5 | Confident | 85.4 | Confident | 21 Ų | 21 | 54 Ų | 54 | 10% | 0.098 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 174.3 | -71.6 | 166.4 | 1.2 | 0 | 0 | 111.9 | N381 I383 S386 T387 N692 Q693 L694 I698 G699 L700 | N381-Q696 PolarHBondContact OD1-NE2 3.39Å; I383-Q696 HydrophobicContact CB-CG 4.23Å; I383-Q696 HydrophobicContact CD1-CB 4.28Å; I383-Q696 HydrophobicContact CD1-CG 3.77Å; I383-Q696 VanDerWaalsContact CD1-OE1 3.31Å; I383-Q696 HydrophobicContact CG1-CG 4.3Å; I383-Q696 HydrophobicContact CG2-CG 4.48Å; S386-Q696 WeakPolarHBondContact OG-CG 3.28Å; T387-Q696 PolarHBondContact OG1-NE2 3.31Å; N692-Q696 WeakPolarHBondContact O-CB 3.25Å; N692-Q696 WeakPolarHBondContact O-CG 3.48Å; N692-Q696 PolarHBondContact O-N 3.06Å; Q693-Q696 PolarHBondContact O-N 3.03Å; L694-Q696 VanDerWaalsContact C-N 3.29Å; L694-Q696 PolarHBondContact O-N 2.52Å; Q696-I698 VanDerWaalsContact C-N 3.28Å; Q696-I698 PolarHBondContact O-N 2.62Å; Q696-G699 PolarHBondContact O-N 3.09Å; Q696-L700 WeakPolarHBondContact O-CG 3.39Å; Q696-L700 PolarHBondContact O-N 3.11Å |
| 697 | L | 84.9 | Confident | 84.9 | Confident | 110 Ų | 110 | 55.7 Ų | 55.7 | 58% | 0.576 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62.2 | -36.8 | 176.1 | -71.8 | 173.9 | 0 | 0 | 0 | 112.3 | Q693 L694 R701 | Q693-L697 WeakPolarHBondContact O-CG 3.2Å; Q693-L697 PolarHBondContact O-N 3.14Å; Q693-L697 VanDerWaalsContact O-N 3.13Å; L694-L697 HydrophobicContact CD2-CD1 4.47Å; L694-L697 PolarHBondContact O-N 3.08Å; L697-R701 VanDerWaalsContact O-CB 3.31Å; L697-R701 WeakPolarHBondContact O-CB 3.46Å; L697-R701 PolarHBondContact O-N 3.4Å; L697-R701 VanDerWaalsContact O-N 3.15Å |
| 698 | I | 87.1 | Confident | 84.7 | Confident | 12 Ų | 12 | 57 Ų | 57 | 6% | 0.062 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.1 | -47.9 | 175.2 | -71.2 | 163.2 | 0 | 0 | 0 | 110.4 | L679 L683 L690 L694 L695 Q696 L700 R701 F702 C717 L721 | L679-I698 HydrophobicContact CD2-CG2 3.4Å; L683-I698 HydrophobicContact CD1-CD1 4.26Å; L690-I698 HydrophobicContact CD1-CD1 3.33Å; L694-I698 VanDerWaalsContact O-CG1 3.29Å; L694-I698 WeakPolarHBondContact O-CG1 3.01Å; L694-I698 PolarHBondContact O-N 3Å; L695-I698 PolarHBondContact O-N 2.93Å; Q696-I698 VanDerWaalsContact C-N 3.28Å; Q696-I698 PolarHBondContact O-N 2.62Å; I698-L700 VanDerWaalsContact C-N 3.34Å; I698-L700 PolarHBondContact O-N 3.19Å; I698-R701 PolarHBondContact O-N 2.99Å; I698-R701 VanDerWaalsContact O-N 3.1Å; I698-F702 HydrophobicContact CB-CD2 4.46Å; I698-F702 HydrophobicContact CG2-CD2 3.98Å; I698-F702 WeakPolarHBondContact O-CB 3.48Å; I698-F702 WeakPolarHBondContact O-CD2 3.38Å; I698-F702 PolarHBondContact O-N 3.28Å; I698-C717 VanDerWaalsContact CG2-SG 3.57Å; I698-L721 HydrophobicContact CD1-CD1 3.84Å; I698-L721 HydrophobicContact CD1-CD2 4.32Å |
| 699 | G | 83.9 | Confident | 84.7 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 7% | 0.072 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56 | -47.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L695 Q696 R701 A703 | L695-G699 PolarHBondContact O-N 3.08Å; Q696-G699 PolarHBondContact O-N 3.09Å; G699-R701 PolarHBondContact O-N 3.27Å; G699-A703 WeakPolarHBondContact O-CB 3.46Å; G699-A703 PolarHBondContact O-N 3.21Å |
| 700 | L | 83.5 | Confident | 84.8 | Confident | 129 Ų | 129 | 56.7 Ų | 56.7 | 68% | 0.675 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.5 | -23.9 | 178.3 | -71.8 | 172.4 | 0 | 0 | 0 | 114.3 | Q696 I698 | Q696-L700 WeakPolarHBondContact O-CG 3.39Å; Q696-L700 PolarHBondContact O-N 3.11Å; I698-L700 VanDerWaalsContact C-N 3.34Å; I698-L700 PolarHBondContact O-N 3.19Å |
| 701 | R | 87.2 | Confident | 84.9 | Confident | 178 Ų | 178 | 56.6 Ų | 56.6 | 67% | 0.672 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -98.8 | -34.2 | -173.1 | -173.4 | 61.5 | 179.2 | 126.3 | -4 | 113.7 | L697 I698 G699 | L697-R701 VanDerWaalsContact O-CB 3.31Å; L697-R701 WeakPolarHBondContact O-CB 3.46Å; L697-R701 PolarHBondContact O-N 3.4Å; L697-R701 VanDerWaalsContact O-N 3.15Å; I698-R701 PolarHBondContact O-N 2.99Å; I698-R701 VanDerWaalsContact O-N 3.1Å; G699-R701 PolarHBondContact O-N 3.27Å |
| 702 | F | 88.2 | Confident | 85.2 | Confident | 24 Ų | 24 | 56.2 Ų | 56.2 | 11% | 0.105 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -122.1 | -11.3 | -167.2 | -63.8 | -73.7 | 0 | 0 | 0 | 113.8 | I698 I709 D713 T716 C717 | I698-F702 HydrophobicContact CB-CD2 4.46Å; I698-F702 HydrophobicContact CG2-CD2 3.98Å; I698-F702 WeakPolarHBondContact O-CB 3.48Å; I698-F702 WeakPolarHBondContact O-CD2 3.38Å; I698-F702 PolarHBondContact O-N 3.28Å; F702-I709 HydrophobicContact CB-CG2 4.49Å; F702-D713 HydrophobicContact CB-CB 4.2Å; F702-D713 HydrophobicContact CD1-CB 4.34Å; F702-D713 WeakPolarHBondContact O-CB 3.43Å; F702-T716 HydrophobicContact CE1-CG2 3.74Å; F702-T716 HydrophobicContact CZ-CG2 4.47Å; F702-C717 HydrophobicContact CD1-CB 4.2Å; F702-C717 HydrophobicContact CD2-CB 3.95Å; F702-C717 HydrophobicContact CE1-CB 4.22Å; F702-C717 HydrophobicContact CE2-CB 3.95Å; F702-C717 HydrophobicContact CG-CB 4.06Å; F702-C717 HydrophobicContact CZ-CB 4.09Å |
| 703 | A | 87.5 | Confident | 85.7 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 19% | 0.19 | 29% | 0.292 | C | S | . | . | trans | -90.3 | 148.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | G699 D708 I709 | G699-A703 WeakPolarHBondContact O-CB 3.46Å; G699-A703 PolarHBondContact O-N 3.21Å; A703-D708 WeakPolarHBondContact CA-O 3.37Å; A703-I709 HydrophobicContact CB-CD1 4.44Å; A703-I709 HydrophobicContact CB-CG1 3.8Å | ||
| 704 | D | 85.9 | Confident | 86.2 | Confident | 52 Ų | 52 | 53.6 Ų | 53.6 | 28% | 0.278 | 27% | 0.27 | S | S | . | . | trans | -79.1 | -174.9 | 175.3 | 72.7 | 11.6 | 0 | 0 | 0 | 112.4 | K673 N706 Y707 D708 | K673-D704 IonicContact NZ-OD2 2.62Å; K673-D704 PolarHBondContact NZ-OD2 3.25Å; D704-N706 PolarHBondContact O-N 3.04Å; D704-N706 VanDerWaalsContact O-N 3.08Å; D704-N706 VanDerWaalsContact OD1-CA 3.3Å; D704-N706 WeakPolarHBondContact OD1-CA 3.23Å; D704-N706 WeakPolarHBondContact OD1-CB 3.34Å; D704-N706 PolarHBondContact OD1-N 3.49Å; D704-Y707 WeakPolarHBondContact O-CA 3.41Å; D704-Y707 PolarHBondContact O-N 2.95Å; D704-Y707 PolarHBondContact OD1-N 2.77Å; D704-D708 VanDerWaalsContact CG-O 3.27Å; D704-D708 PolarHBondContact N-O 2.69Å; D704-D708 PolarHBondContact OD1-N 2.87Å | ||
| 705 | D | 82.3 | Confident | 86.4 | Confident | 154 Ų | 154 | 50.8 Ų | 50.8 | 82% | 0.824 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18.8 | 179.3 | -65.3 | -30.3 | 0 | 0 | 0 | 113.6 | ||
| 706 | N | 81.3 | Confident | 86.7 | Confident | 108 Ų | 108 | 50.5 Ų | 50.5 | 58% | 0.578 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 0.9 | 174.5 | -58.1 | -54.9 | 0 | 0 | 0 | 112.7 | D704 | D704-N706 PolarHBondContact O-N 3.04Å; D704-N706 VanDerWaalsContact O-N 3.08Å; D704-N706 VanDerWaalsContact OD1-CA 3.3Å; D704-N706 WeakPolarHBondContact OD1-CA 3.23Å; D704-N706 WeakPolarHBondContact OD1-CB 3.34Å; D704-N706 PolarHBondContact OD1-N 3.49Å |
| 707 | Y | 78.3 | Confident | 87.2 | Confident | 59 Ų | 59 | 49.6 Ų | 49.6 | 23% | 0.231 | 25% | 0.25 | C | S | . | . | S | Bend | trans | 64.6 | 25.3 | -172.5 | -57.9 | -100.2 | 0 | 0 | 0 | 113.5 | R384 D704 | R384-Y707 HydrophobicContact CB-CE1 4.15Å; R384-Y707 HydrophobicContact CB-CE2 4.19Å; R384-Y707 HydrophobicContact CG-CD1 4.47Å; R384-Y707 HydrophobicContact CG-CD2 3.8Å; R384-Y707 HydrophobicContact CG-CE1 4.19Å; R384-Y707 HydrophobicContact CG-CE2 3.51Å; R384-Y707 HydrophobicContact CG-CG 4.27Å; R384-Y707 WeakPolarHBondContact O-CD1 3.34Å; R384-Y707 WeakPolarHBondContact O-CE1 3.41Å; D704-Y707 WeakPolarHBondContact O-CA 3.41Å; D704-Y707 PolarHBondContact O-N 2.95Å; D704-Y707 PolarHBondContact OD1-N 2.77Å |
| 708 | D | 85.5 | Confident | 87.6 | Confident | 49 Ų | 49 | 44.3 Ų | 44.3 | 26% | 0.262 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 144.5 | 172.4 | -62.3 | -39 | 0 | 0 | 0 | 109.9 | K673 A703 D704 | K673-D708 HydrophobicContact CB-CB 4.12Å; K673-D708 HydrophobicContact CD-CB 3.71Å; A703-D708 WeakPolarHBondContact CA-O 3.37Å; D704-D708 VanDerWaalsContact CG-O 3.27Å; D704-D708 PolarHBondContact N-O 2.69Å; D704-D708 PolarHBondContact OD1-N 2.87Å |
| 709 | I | 88.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 119 | -178.5 | -57.5 | 174.9 | 0 | 0 | 0 | 107 | M674 L679 F702 A703 D713 | M674-I709 PolarHBondContact N-O 2.95Å; M674-I709 WeakPolarHBondContact O-CB 3.45Å; M674-I709 PolarHBondContact O-N 2.65Å; L679-I709 HydrophobicContact CB-CD1 4.33Å; L679-I709 HydrophobicContact CD2-CD1 3.44Å; L679-I709 VanDerWaalsContact CD2-CD1 3.44Å; L679-I709 HydrophobicContact CG-CD1 4.4Å; F702-I709 HydrophobicContact CB-CG2 4.49Å; A703-I709 HydrophobicContact CB-CD1 4.44Å; A703-I709 HydrophobicContact CB-CG1 3.8Å; I709-D713 HydrophobicContact CG2-CB 3.78Å |
| 710 | D | 89.2 | Confident | 87.9 | Confident | 45 Ų | 45 | 46.8 Ų | 46.8 | 24% | 0.241 | 23% | 0.229 | C | C | . | . | trans | -75.6 | 177.7 | 175.9 | 76.1 | 23.7 | 0 | 0 | 0 | 111.7 | D712 D713 Y714 | D710-D712 VanDerWaalsContact C-N 3.33Å; D710-D712 PolarHBondContact O-N 3.28Å; D710-D712 WeakPolarHBondContact OD1-CA 3.23Å; D710-D712 WeakPolarHBondContact OD1-CB 3.45Å; D710-D712 PolarHBondContact OD1-N 2.98Å; D710-D713 PolarHBondContact OD1-N 2.93Å; D710-Y714 VanDerWaalsContact O-CB 3.22Å; D710-Y714 WeakPolarHBondContact O-CB 3.45Å; D710-Y714 PolarHBondContact O-N 3.49Å | ||
| 711 | F | 89.3 | Confident | 88.2 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.5 | -31.7 | -177.4 | -172.7 | -99.2 | 0 | 0 | 0 | 113.5 | L613 I619 F621 L624 I660 F663 Y714 L715 | L613-F711 HydrophobicContact CD1-CD1 4.14Å; L613-F711 HydrophobicContact CD1-CE1 3.7Å; L613-F711 HydrophobicContact CD2-CE1 3.92Å; L613-F711 HydrophobicContact CD2-CZ 4.36Å; L613-F711 HydrophobicContact CG-CE1 4.48Å; I619-F711 HydrophobicContact CD1-CD2 4.36Å; I619-F711 HydrophobicContact CD1-CE2 4.38Å; I619-F711 HydrophobicContact CG2-CB 3.59Å; I619-F711 HydrophobicContact CG2-CD1 4.39Å; I619-F711 HydrophobicContact CG2-CD2 4.16Å; I619-F711 HydrophobicContact CG2-CG 3.78Å; F621-F711 HydrophobicContact CD2-CD1 4.38Å; F621-F711 HydrophobicContact CE2-CD1 4.49Å; L624-F711 HydrophobicContact CD2-CD1 4.28Å; L624-F711 HydrophobicContact CD2-CE1 4.5Å; I660-F711 HydrophobicContact CD1-CZ 4.39Å; I660-F711 HydrophobicContact CG1-CE2 4.07Å; I660-F711 HydrophobicContact CG1-CZ 3.61Å; F663-F711 HydrophobicContact CB-CD2 4.16Å; F663-F711 HydrophobicContact CB-CE2 3.99Å; F663-F711 AromaticContact CD1-CD2 3.78Å; F663-F711 HydrophobicContact CD1-CD2 3.78Å; F663-F711 HydrophobicContact CD1-CE2 4.33Å; F663-F711 AromaticContact CD2-CD2 3.73Å; F663-F711 HydrophobicContact CD2-CD2 3.73Å; F663-F711 HydrophobicContact CD2-CE2 4.35Å; F663-F711 HydrophobicContact CE1-CD2 4.06Å; F663-F711 HydrophobicContact CE2-CB 4.31Å; F663-F711 HydrophobicContact CE2-CD2 4.01Å; F663-F711 AromaticContact CG-CD2 3.61Å; F663-F711 HydrophobicContact CG-CD2 3.61Å; F663-F711 AromaticContact CG-CE2 3.97Å; F663-F711 HydrophobicContact CG-CE2 3.97Å; F663-F711 HydrophobicContact CZ-CB 4.17Å; F663-F711 HydrophobicContact CZ-CD2 4.17Å; F711-Y714 HydrophobicContact CD2-CD1 4.26Å; F711-Y714 HydrophobicContact CE2-CD1 4.18Å; F711-Y714 HydrophobicContact CE2-CE1 4.46Å; F711-L715 HydrophobicContact CE1-CD2 4.24Å; F711-L715 VanDerWaalsContact O-CB 3.26Å; F711-L715 WeakPolarHBondContact O-CB 3.35Å; F711-L715 PolarHBondContact O-N 3.35Å |
| 712 | D | 90.9 | Very high | 88.2 | Confident | 20 Ų | 20 | 33.5 Ų | 33.5 | 11% | 0.107 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.3 | -45.4 | 179.7 | -170 | 43.7 | 0 | 0 | 0 | 110.7 | L624 S625 T628 D710 L715 T716 | L624-D712 VanDerWaalsContact CA-OD1 3.29Å; L624-D712 WeakPolarHBondContact CA-OD1 3.19Å; L624-D712 HydrophobicContact CD2-CB 4.08Å; L624-D712 WeakPolarHBondContact CD2-OD1 3.38Å; S625-D712 WeakPolarHBondContact CB-OD2 3.32Å; S625-D712 PolarHBondContact N-OD1 3.45Å; S625-D712 VanDerWaalsContact N-OD1 3.14Å; S625-D712 PolarHBondContact N-OD2 3.22Å; S625-D712 PolarHBondContact OG-OD2 3.28Å; T628-D712 WeakPolarHBondContact CB-OD1 3.46Å; T628-D712 WeakPolarHBondContact CG2-OD1 3.39Å; T628-D712 PolarHBondContact OG1-OD1 2.96Å; T628-D712 PolarHBondContact OG1-OD2 3.36Å; D710-D712 VanDerWaalsContact C-N 3.33Å; D710-D712 PolarHBondContact O-N 3.28Å; D710-D712 WeakPolarHBondContact OD1-CA 3.23Å; D710-D712 WeakPolarHBondContact OD1-CB 3.45Å; D710-D712 PolarHBondContact OD1-N 2.98Å; D712-L715 PolarHBondContact O-N 2.78Å; D712-T716 WeakPolarHBondContact O-CB 3.47Å; D712-T716 PolarHBondContact O-N 2.78Å; D712-T716 PolarHBondContact O-OG1 2.9Å |
| 713 | D | 91.6 | Very high | 88 | Confident | 55 Ų | 55 | 33.3 Ų | 33.3 | 29% | 0.294 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -68.4 | -39.4 | 177.3 | -79 | -43.2 | 0 | 0 | 0 | 111.9 | F702 I709 D710 L715 T716 C717 | F702-D713 HydrophobicContact CB-CB 4.2Å; F702-D713 HydrophobicContact CD1-CB 4.34Å; F702-D713 WeakPolarHBondContact O-CB 3.43Å; I709-D713 HydrophobicContact CG2-CB 3.78Å; D710-D713 PolarHBondContact OD1-N 2.93Å; D713-L715 PolarHBondContact O-N 2.91Å; D713-T716 PolarHBondContact O-N 3.13Å; D713-C717 VanDerWaalsContact O-CB 3.23Å; D713-C717 WeakPolarHBondContact O-CB 3.42Å; D713-C717 PolarHBondContact O-N 2.88Å |
| 714 | Y | 92.1 | Very high | 88 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57 | -49.5 | 171.1 | 165.9 | -101.3 | 0 | 0 | 0 | 111.3 | W659 L662 F663 M674 L679 D710 F711 T716 C717 I718 | W659-Y714 HydrophobicContact CB-CE1 4.3Å; W659-Y714 PolarHBondContact O-OH 3.11Å; L662-Y714 WeakPolarHBondContact CB-OH 3.4Å; F663-Y714 HydrophobicContact CB-CD1 4.2Å; F663-Y714 HydrophobicContact CB-CE1 3.86Å; F663-Y714 AromaticContact CD2-CD1 3.61Å; F663-Y714 HydrophobicContact CD2-CD1 3.61Å; F663-Y714 HydrophobicContact CD2-CD2 4.16Å; F663-Y714 HydrophobicContact CD2-CE1 4.09Å; F663-Y714 AromaticContact CD2-CG 3.65Å; F663-Y714 HydrophobicContact CD2-CG 3.65Å; F663-Y714 HydrophobicContact CE2-CD1 4.46Å; F663-Y714 HydrophobicContact CE2-CG 4.23Å; F663-Y714 HydrophobicContact CG-CD1 4.3Å; F663-Y714 HydrophobicContact CG-CE1 4.44Å; M674-Y714 HydrophobicContact CE-CD2 4.28Å; M674-Y714 HydrophobicContact CE-CE2 4.19Å; M674-Y714 HydrophobicContact SD-CD2 3.87Å; M674-Y714 HydrophobicContact SD-CE2 4.07Å; L679-Y714 HydrophobicContact CD1-CD2 3.67Å; L679-Y714 HydrophobicContact CD1-CE2 3.94Å; D710-Y714 VanDerWaalsContact O-CB 3.22Å; D710-Y714 WeakPolarHBondContact O-CB 3.45Å; D710-Y714 PolarHBondContact O-N 3.49Å; F711-Y714 HydrophobicContact CD2-CD1 4.26Å; F711-Y714 HydrophobicContact CE2-CD1 4.18Å; F711-Y714 HydrophobicContact CE2-CE1 4.46Å; Y714-T716 VanDerWaalsContact C-N 3.35Å; Y714-T716 PolarHBondContact O-N 2.84Å; Y714-C717 PolarHBondContact O-N 3.12Å; Y714-I718 HydrophobicContact CE1-CG2 4.46Å; Y714-I718 HydrophobicContact CE2-CD1 4.32Å; Y714-I718 WeakPolarHBondContact O-CG2 3.47Å; Y714-I718 PolarHBondContact O-N 2.6Å; Y714-I718 WeakPolarHBondContact OH-CD1 3.37Å |
| 715 | L | 91.2 | Very high | 88 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.5 | -41 | -177.8 | -173.1 | 60.4 | 0 | 0 | 0 | 111.2 | L624 T628 I632 W659 F711 D712 D713 C717 I718 V719 | L624-L715 HydrophobicContact CD1-CD2 4.06Å; L624-L715 HydrophobicContact CD2-CD2 3.96Å; T628-L715 HydrophobicContact CG2-CB 4.04Å; T628-L715 HydrophobicContact CG2-CD2 3.87Å; T628-L715 HydrophobicContact CG2-CG 3.89Å; I632-L715 HydrophobicContact CD1-CD2 3.91Å; I632-L715 HydrophobicContact CD1-CG 4.31Å; W659-L715 HydrophobicContact CB-CD1 4.49Å; W659-L715 HydrophobicContact CD2-CD1 4.26Å; W659-L715 HydrophobicContact CE3-CD1 3.49Å; W659-L715 VanDerWaalsContact CE3-CD1 3.49Å; W659-L715 HydrophobicContact CZ3-CD1 4.05Å; F711-L715 HydrophobicContact CE1-CD2 4.24Å; F711-L715 VanDerWaalsContact O-CB 3.26Å; F711-L715 WeakPolarHBondContact O-CB 3.35Å; F711-L715 PolarHBondContact O-N 3.35Å; D712-L715 PolarHBondContact O-N 2.78Å; D713-L715 PolarHBondContact O-N 2.91Å; L715-C717 VanDerWaalsContact C-N 3.35Å; L715-I718 HydrophobicContact CD1-CG2 4.31Å; L715-I718 WeakPolarHBondContact O-CG2 3.19Å; L715-V719 HydrophobicContact CD1-CG2 4.21Å; L715-V719 HydrophobicContact CG-CG2 4.5Å; L715-V719 VanDerWaalsContact O-CB 3.28Å; L715-V719 WeakPolarHBondContact O-CB 3.28Å; L715-V719 WeakPolarHBondContact O-CG2 3.48Å; L715-V719 PolarHBondContact O-N 3.27Å; L715-V719 VanDerWaalsContact O-N 3.15Å |
| 716 | T | 91.1 | Very high | 88.1 | Confident | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.043 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61 | -45.4 | 174.2 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | T628 F702 D712 D713 Y714 R720 | T628-T716 WeakPolarHBondContact CB-OG1 3.46Å; T628-T716 WeakPolarHBondContact CG2-OG1 2.92Å; T628-T716 PolarHBondContact OG1-OG1 3.06Å; F702-T716 HydrophobicContact CE1-CG2 3.74Å; F702-T716 HydrophobicContact CZ-CG2 4.47Å; D712-T716 WeakPolarHBondContact O-CB 3.47Å; D712-T716 PolarHBondContact O-N 2.78Å; D712-T716 PolarHBondContact O-OG1 2.9Å; D713-T716 PolarHBondContact O-N 3.13Å; Y714-T716 VanDerWaalsContact C-N 3.35Å; Y714-T716 PolarHBondContact O-N 2.84Å; T716-R720 HydrophobicContact CG2-CG 4.5Å; T716-R720 VanDerWaalsContact O-CB 3.31Å; T716-R720 WeakPolarHBondContact O-CB 3.34Å; T716-R720 VanDerWaalsContact O-CG 3.26Å; T716-R720 WeakPolarHBondContact O-CG 3.45Å; T716-R720 PolarHBondContact O-N 3.45Å |
| 717 | C | 92.1 | Very high | 88 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62 | -52.7 | -179.5 | -179.9 | 0 | 0 | 0 | 0 | 111.9 | I698 F702 D713 Y714 L715 V719 R720 L721 | I698-C717 VanDerWaalsContact CG2-SG 3.57Å; F702-C717 HydrophobicContact CD1-CB 4.2Å; F702-C717 HydrophobicContact CD2-CB 3.95Å; F702-C717 HydrophobicContact CE1-CB 4.22Å; F702-C717 HydrophobicContact CE2-CB 3.95Å; F702-C717 HydrophobicContact CG-CB 4.06Å; F702-C717 HydrophobicContact CZ-CB 4.09Å; D713-C717 VanDerWaalsContact O-CB 3.23Å; D713-C717 WeakPolarHBondContact O-CB 3.42Å; D713-C717 PolarHBondContact O-N 2.88Å; Y714-C717 PolarHBondContact O-N 3.12Å; L715-C717 VanDerWaalsContact C-N 3.35Å; C717-V719 PolarHBondContact O-N 3.03Å; C717-R720 PolarHBondContact O-N 2.99Å; C717-L721 WeakPolarHBondContact O-CB 3.47Å; C717-L721 WeakPolarHBondContact O-CG 3.37Å; C717-L721 PolarHBondContact O-N 2.76Å |
| 718 | I | 91.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.3 | -39.9 | -176.4 | -163.7 | 162.5 | 0 | 0 | 0 | 112.1 | W659 L683 A686 M688 Y714 L715 E722 | W659-I718 VanDerWaalsContact CD1-CD1 3.4Å; W659-I718 HydrophobicContact CD2-CG2 4.16Å; W659-I718 HydrophobicContact CG-CD1 4.15Å; W659-I718 HydrophobicContact CG-CG2 4.18Å; L683-I718 HydrophobicContact CD2-CG1 4.35Å; A686-I718 HydrophobicContact CB-CD1 4.06Å; M688-I718 HydrophobicContact CE-CD1 4.33Å; M688-I718 HydrophobicContact CE-CG1 3.65Å; Y714-I718 HydrophobicContact CE1-CG2 4.46Å; Y714-I718 HydrophobicContact CE2-CD1 4.32Å; Y714-I718 WeakPolarHBondContact O-CG2 3.47Å; Y714-I718 PolarHBondContact O-N 2.6Å; Y714-I718 WeakPolarHBondContact OH-CD1 3.37Å; L715-I718 HydrophobicContact CD1-CG2 4.31Å; L715-I718 WeakPolarHBondContact O-CG2 3.19Å; I718-E722 VanDerWaalsContact O-CB 3.32Å; I718-E722 WeakPolarHBondContact O-CB 2.89Å; I718-E722 PolarHBondContact O-N 3.22Å |
| 719 | V | 89.3 | Confident | 88.1 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.9 | -46 | 177.6 | 168.2 | 0 | 0 | 0 | 0 | 110.9 | S631 I632 L635 W659 L715 C717 E722 N723 | S631-V719 VanDerWaalsContact C-CG1 3.46Å; S631-V719 WeakPolarHBondContact O-CG1 3.46Å; I632-V719 HydrophobicContact CG1-CG1 4.41Å; I632-V719 HydrophobicContact CG1-CG2 3.98Å; L635-V719 HydrophobicContact CB-CG1 3.95Å; L635-V719 HydrophobicContact CD2-CB 4.42Å; L635-V719 HydrophobicContact CD2-CG1 3.88Å; L635-V719 HydrophobicContact CD2-CG2 4.49Å; W659-V719 HydrophobicContact CE3-CG2 4.29Å; W659-V719 HydrophobicContact CH2-CG2 3.55Å; W659-V719 HydrophobicContact CZ2-CG2 4.21Å; W659-V719 HydrophobicContact CZ3-CG2 3.59Å; L715-V719 HydrophobicContact CD1-CG2 4.21Å; L715-V719 HydrophobicContact CG-CG2 4.5Å; L715-V719 VanDerWaalsContact O-CB 3.28Å; L715-V719 WeakPolarHBondContact O-CB 3.28Å; L715-V719 WeakPolarHBondContact O-CG2 3.48Å; L715-V719 PolarHBondContact O-N 3.27Å; L715-V719 VanDerWaalsContact O-N 3.15Å; C717-V719 PolarHBondContact O-N 3.03Å; V719-E722 PolarHBondContact O-N 2.95Å; V719-N723 WeakPolarHBondContact O-CB 3.3Å; V719-N723 PolarHBondContact O-N 3.03Å |
| 720 | R | 88.8 | Confident | 87.6 | Confident | 69 Ų | 69 | 29.4 Ų | 29.4 | 26% | 0.26 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -65.1 | -44.7 | 178.8 | -78.1 | -177.1 | 135.6 | 153.3 | 1 | 112.3 | T716 C717 N723 M724 V753 | T716-R720 HydrophobicContact CG2-CG 4.5Å; T716-R720 VanDerWaalsContact O-CB 3.31Å; T716-R720 WeakPolarHBondContact O-CB 3.34Å; T716-R720 VanDerWaalsContact O-CG 3.26Å; T716-R720 WeakPolarHBondContact O-CG 3.45Å; T716-R720 PolarHBondContact O-N 3.45Å; C717-R720 PolarHBondContact O-N 2.99Å; R720-N723 PolarHBondContact O-N 3.05Å; R720-M724 HydrophobicContact CB-CE 3.89Å; R720-M724 WeakPolarHBondContact O-CG 3.05Å; R720-M724 PolarHBondContact O-N 2.93Å; R720-V753 VanDerWaalsContact CZ-O 3.29Å; R720-V753 PolarHBondContact NE-O 3.19Å; R720-V753 PolarHBondContact NH2-O 3.36Å |
| 721 | L | 89.8 | Confident | 87.2 | Confident | 21 Ų | 21 | 30 Ų | 30 | 11% | 0.11 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61 | -47.1 | 176.4 | -75.7 | 169.7 | 0 | 0 | 0 | 110.9 | L683 M688 L690 I698 C717 N723 M724 F725 | L683-L721 HydrophobicContact CD1-CD1 3.99Å; L683-L721 HydrophobicContact CD2-CD1 3.83Å; M688-L721 HydrophobicContact CE-CB 4.31Å; M688-L721 HydrophobicContact SD-CB 3.73Å; L690-L721 HydrophobicContact CD1-CD1 3.99Å; L690-L721 HydrophobicContact CD1-CD2 4.27Å; I698-L721 HydrophobicContact CD1-CD1 3.84Å; I698-L721 HydrophobicContact CD1-CD2 4.32Å; C717-L721 WeakPolarHBondContact O-CB 3.47Å; C717-L721 WeakPolarHBondContact O-CG 3.37Å; C717-L721 PolarHBondContact O-N 2.76Å; L721-N723 VanDerWaalsContact C-N 3.32Å; L721-N723 PolarHBondContact O-N 3.23Å; L721-M724 PolarHBondContact O-N 3.26Å; L721-F725 WeakPolarHBondContact O-CD2 3.26Å; L721-F725 PolarHBondContact O-N 2.78Å |
| 722 | E | 87.9 | Confident | 86.9 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 3% | 0.033 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.4 | -44.2 | 177.6 | -176 | 170.4 | 168.6 | 0 | 0 | 111.4 | L528 L635 K655 W659 I718 V719 F725 R726 | L528-E722 HydrophobicContact CD1-CG 3.96Å; L528-E722 HydrophobicContact CD2-CG 4.34Å; L635-E722 HydrophobicContact CD1-CG 4.36Å; L635-E722 HydrophobicContact CD2-CB 4.47Å; L635-E722 HydrophobicContact CD2-CG 4.49Å; K655-E722 IonicContact NZ-OE1 2.69Å; K655-E722 PolarHBondContact NZ-OE1 3.45Å; K655-E722 IonicContact NZ-OE2 2.77Å; K655-E722 PolarHBondContact NZ-OE2 3.35Å; W659-E722 WeakPolarHBondContact CZ2-OE2 3.5Å; I718-E722 VanDerWaalsContact O-CB 3.32Å; I718-E722 WeakPolarHBondContact O-CB 2.89Å; I718-E722 PolarHBondContact O-N 3.22Å; V719-E722 PolarHBondContact O-N 2.95Å; E722-F725 PolarHBondContact O-N 2.86Å; E722-R726 HydrophobicContact CG-CG 4.41Å; E722-R726 WeakPolarHBondContact O-CB 3.28Å; E722-R726 VanDerWaalsContact O-CG 3.3Å; E722-R726 WeakPolarHBondContact O-CG 3.47Å; E722-R726 PolarHBondContact O-N 3.02Å; E722-R726 IonicContact OE1-CZ 3.39Å; E722-R726 IonicContact OE1-NE 2.78Å; E722-R726 PolarHBondContact OE1-NE 3.02Å; E722-R726 IonicContact OE1-NH2 3.74Å; E722-R726 PolarHBondContact OE1-NH2 3.03Å |
| 723 | N | 84.1 | Confident | 86.2 | Confident | 21 Ų | 21 | 37 Ų | 37 | 11% | 0.112 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.7 | -48.3 | 176.6 | -165.5 | 17.3 | 0 | 0 | 0 | 111.3 | L635 V719 R720 L721 F725 R726 V727 N752 | L635-N723 HydrophobicContact CD1-CB 3.89Å; V719-N723 WeakPolarHBondContact O-CB 3.3Å; V719-N723 PolarHBondContact O-N 3.03Å; R720-N723 PolarHBondContact O-N 3.05Å; L721-N723 VanDerWaalsContact C-N 3.32Å; L721-N723 PolarHBondContact O-N 3.23Å; N723-F725 PolarHBondContact O-N 3.22Å; N723-R726 PolarHBondContact O-N 3.07Å; N723-V727 VanDerWaalsContact O-CG2 3.29Å; N723-V727 WeakPolarHBondContact O-CG2 3.49Å; N723-V727 PolarHBondContact O-N 3.4Å; N723-N752 PolarHBondContact ND2-O 3.2Å |
| 724 | M | 86.8 | Confident | 85.7 | Confident | 88 Ų | 88 | 40.4 Ų | 40.4 | 43% | 0.433 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.2 | -45.9 | 178.8 | -74.1 | -174.6 | -115.2 | 0 | 0 | 112.7 | R720 L721 F728 V753 | R720-M724 HydrophobicContact CB-CE 3.89Å; R720-M724 WeakPolarHBondContact O-CG 3.05Å; R720-M724 PolarHBondContact O-N 2.93Å; L721-M724 PolarHBondContact O-N 3.26Å; M724-F728 WeakPolarHBondContact O-CB 3.4Å; M724-F728 PolarHBondContact O-N 2.93Å; M724-V753 HydrophobicContact CE-CG1 3.59Å; M724-V753 HydrophobicContact CG-CB 4.48Å; M724-V753 HydrophobicContact CG-CG1 3.37Å; M724-V753 HydrophobicContact CG-CG2 4.28Å; M724-V753 HydrophobicContact SD-CG1 3.8Å |
| 725 | F | 86.9 | Confident | 85.2 | Confident | 29 Ų | 29 | 47.3 Ų | 47.3 | 13% | 0.127 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.1 | -46.1 | 177 | -83.9 | -67.2 | 0 | 0 | 0 | 111.8 | V524 A526 L528 M688 L690 L721 E722 N723 F728 Q729 | V524-F725 HydrophobicContact CG1-CE1 4.03Å; V524-F725 HydrophobicContact CG1-CZ 3.93Å; A526-F725 HydrophobicContact CB-CB 3.98Å; A526-F725 HydrophobicContact CB-CD1 3.39Å; A526-F725 HydrophobicContact CB-CD2 3.7Å; A526-F725 HydrophobicContact CB-CE1 3.65Å; A526-F725 HydrophobicContact CB-CE2 3.95Å; A526-F725 HydrophobicContact CB-CG 3.42Å; A526-F725 VanDerWaalsContact CB-CG 3.42Å; A526-F725 HydrophobicContact CB-CZ 3.92Å; L528-F725 HydrophobicContact CD1-CB 3.76Å; M688-F725 HydrophobicContact CB-CE2 4.12Å; M688-F725 HydrophobicContact CG-CD2 4.04Å; M688-F725 HydrophobicContact CG-CE2 3.96Å; M688-F725 HydrophobicContact SD-CD2 3.77Å; M688-F725 HydrophobicContact SD-CE2 3.91Å; L690-F725 HydrophobicContact CD2-CE2 3.84Å; L690-F725 HydrophobicContact CD2-CZ 3.67Å; L721-F725 WeakPolarHBondContact O-CD2 3.26Å; L721-F725 PolarHBondContact O-N 2.78Å; E722-F725 PolarHBondContact O-N 2.86Å; N723-F725 PolarHBondContact O-N 3.22Å; F725-F728 PolarHBondContact O-N 2.99Å; F725-Q729 WeakPolarHBondContact O-CB 3.49Å; F725-Q729 VanDerWaalsContact O-CG 3.25Å; F725-Q729 WeakPolarHBondContact O-CG 3.45Å; F725-Q729 PolarHBondContact O-N 3.32Å |
| 726 | R | 82.5 | Confident | 84.8 | Confident | 21 Ų | 21 | 55.9 Ų | 55.9 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 180 | -73.9 | -174.7 | -177.7 | -67.2 | -4.7 | 112.3 | L528 P529 I536 E722 N723 Q729 A730 | L528-R726 HydrophobicContact CD1-CG 4.07Å; P529-R726 PolarHBondContact O-NH1 3.46Å; P529-R726 PolarHBondContact O-NH2 3.16Å; I536-R726 HydrophobicContact CD1-CB 4.38Å; I536-R726 HydrophobicContact CD1-CG 4.49Å; E722-R726 HydrophobicContact CG-CG 4.41Å; E722-R726 WeakPolarHBondContact O-CB 3.28Å; E722-R726 VanDerWaalsContact O-CG 3.3Å; E722-R726 WeakPolarHBondContact O-CG 3.47Å; E722-R726 PolarHBondContact O-N 3.02Å; E722-R726 IonicContact OE1-CZ 3.39Å; E722-R726 IonicContact OE1-NE 2.78Å; E722-R726 PolarHBondContact OE1-NE 3.02Å; E722-R726 IonicContact OE1-NH2 3.74Å; E722-R726 PolarHBondContact OE1-NH2 3.03Å; N723-R726 PolarHBondContact O-N 3.07Å; R726-Q729 PolarHBondContact O-N 3.01Å; R726-A730 VanDerWaalsContact O-CB 3.28Å; R726-A730 WeakPolarHBondContact O-CB 3.36Å; R726-A730 PolarHBondContact O-N 2.97Å |
| 727 | V | 79.2 | Confident | 84.4 | Confident | 29 Ų | 29 | 58 Ų | 58 | 18% | 0.176 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 178 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | N723 A730 L731 L749 | N723-V727 VanDerWaalsContact O-CG2 3.29Å; N723-V727 WeakPolarHBondContact O-CG2 3.49Å; N723-V727 PolarHBondContact O-N 3.4Å; V727-A730 PolarHBondContact O-N 2.97Å; V727-L731 HydrophobicContact CG1-CD1 3.93Å; V727-L731 VanDerWaalsContact O-CG 3.29Å; V727-L731 WeakPolarHBondContact O-CG 3.4Å; V727-L731 PolarHBondContact O-N 3.4Å; V727-L731 VanDerWaalsContact O-N 3.09Å; V727-L749 HydrophobicContact CG1-CD1 3.35Å; V727-L749 HydrophobicContact CG1-CG 4Å |
| 728 | F | 83.6 | Confident | 84.1 | Confident | 89 Ų | 89 | 68 Ų | 68 | 39% | 0.39 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.6 | -49.3 | 176.9 | -172.7 | -86.1 | 0 | 0 | 0 | 112 | M724 F725 A730 L731 D732 V739 | M724-F728 WeakPolarHBondContact O-CB 3.4Å; M724-F728 PolarHBondContact O-N 2.93Å; F725-F728 PolarHBondContact O-N 2.99Å; F728-A730 VanDerWaalsContact C-N 3.27Å; F728-A730 PolarHBondContact O-N 3.38Å; F728-L731 PolarHBondContact O-N 3.17Å; F728-L731 VanDerWaalsContact O-N 3.09Å; F728-D732 HydrophobicContact CD1-CB 4.47Å; F728-D732 HydrophobicContact CE1-CB 4.19Å; F728-D732 PolarHBondContact O-N 3.27Å; F728-V739 HydrophobicContact CD2-CG2 3.87Å; F728-V739 HydrophobicContact CE1-CG2 4.47Å; F728-V739 HydrophobicContact CE2-CB 4.33Å; F728-V739 HydrophobicContact CE2-CG2 3.72Å; F728-V739 HydrophobicContact CG-CG2 4.34Å; F728-V739 HydrophobicContact CZ-CG2 4.04Å |
| 729 | Q | 83.5 | Confident | 83.7 | Confident | 78 Ų | 78 | 69.9 Ų | 69.9 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.7 | -35.6 | 177.9 | -73.2 | 172.3 | -13.4 | 0 | 0 | 112.3 | A526 F725 R726 L731 | A526-Q729 PolarHBondContact O-NE2 3.43Å; F725-Q729 WeakPolarHBondContact O-CB 3.49Å; F725-Q729 VanDerWaalsContact O-CG 3.25Å; F725-Q729 WeakPolarHBondContact O-CG 3.45Å; F725-Q729 PolarHBondContact O-N 3.32Å; R726-Q729 PolarHBondContact O-N 3.01Å; Q729-L731 VanDerWaalsContact C-N 3.35Å |
| 730 | A | 78.1 | Confident | 83.4 | Confident | 29 Ų | 29 | 81.5 Ų | 81.5 | 24% | 0.24 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.6 | -31.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | I536 R726 V727 F728 | I536-A730 HydrophobicContact CG2-CB 3.65Å; R726-A730 VanDerWaalsContact O-CB 3.28Å; R726-A730 WeakPolarHBondContact O-CB 3.36Å; R726-A730 PolarHBondContact O-N 2.97Å; V727-A730 PolarHBondContact O-N 2.97Å; F728-A730 VanDerWaalsContact C-N 3.27Å; F728-A730 PolarHBondContact O-N 3.38Å |
| 731 | L | 79.8 | Confident | 83.1 | Confident | 58 Ų | 58 | 81.6 Ų | 81.6 | 30% | 0.304 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -85 | -25 | 178 | -68 | 171.8 | 0 | 0 | 0 | 112.9 | V540 V727 F728 Q729 E733 V739 M741 L749 | V540-L731 HydrophobicContact CG1-CD2 3.69Å; V727-L731 HydrophobicContact CG1-CD1 3.93Å; V727-L731 VanDerWaalsContact O-CG 3.29Å; V727-L731 WeakPolarHBondContact O-CG 3.4Å; V727-L731 PolarHBondContact O-N 3.4Å; V727-L731 VanDerWaalsContact O-N 3.09Å; F728-L731 PolarHBondContact O-N 3.17Å; F728-L731 VanDerWaalsContact O-N 3.09Å; Q729-L731 VanDerWaalsContact C-N 3.35Å; L731-E733 PolarHBondContact O-N 3.41Å; L731-V739 HydrophobicContact CB-CB 4.32Å; L731-V739 HydrophobicContact CB-CG1 3.57Å; L731-V739 HydrophobicContact CB-CG2 3.73Å; L731-V739 HydrophobicContact CD1-CG1 3.9Å; L731-V739 HydrophobicContact CG-CG1 4.27Å; L731-M741 HydrophobicContact CD1-CE 4.42Å; L731-L749 HydrophobicContact CD1-CD1 4.02Å |
| 732 | D | 83.4 | Confident | 82.9 | Confident | 14 Ų | 14 | 84.7 Ų | 84.7 | 8% | 0.075 | 40% | 0.4 | C | S | . | . | trans | -94.4 | 61.7 | 177.2 | -167.3 | 12.6 | 0 | 0 | 0 | 112.2 | F728 H734 N735 R736 G737 V739 | F728-D732 HydrophobicContact CD1-CB 4.47Å; F728-D732 HydrophobicContact CE1-CB 4.19Å; F728-D732 PolarHBondContact O-N 3.27Å; D732-H734 PolarHBondContact O-N 2.93Å; D732-N735 PolarHBondContact O-N 2.91Å; D732-N735 PolarHBondContact OD1-N 2.78Å; D732-N735 WeakPolarHBondContact OD2-CA 3.46Å; D732-R736 VanDerWaalsContact CG-N 3.29Å; D732-R736 PolarHBondContact OD1-N 3.32Å; D732-R736 PolarHBondContact OD2-N 2.96Å; D732-G737 WeakPolarHBondContact OD2-CA 3.41Å; D732-G737 PolarHBondContact OD2-N 3.15Å; D732-V739 HydrophobicContact CB-CG2 3.98Å | ||
| 733 | E | 77 | Confident | 82.9 | Confident | 156 Ų | 156 | 90 Ų | 90 | 73% | 0.729 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -20.5 | -177.6 | -63.3 | -175.6 | 172 | 0 | 0 | 114.3 | L731 | L731-E733 PolarHBondContact O-N 3.41Š|
| 734 | H | 80.4 | Confident | 82.7 | Confident | 126 Ų | 126 | 95.3 Ų | 95.3 | 58% | 0.583 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | 6.8 | -176.9 | -62.9 | -50.3 | 0 | 0 | 0 | 113.9 | D732 R736 | D732-H734 PolarHBondContact O-N 2.93Å; H734-R736 VanDerWaalsContact C-N 3.28Å; H734-R736 HydrophobicContact CB-CG 3.88Å; H734-R736 PolarHBondContact CD2-NH2 2.83Å; H734-R736 PolarHBondContact O-N 3.49Å |
| 735 | N | 82.1 | Confident | 82.3 | Confident | 146 Ų | 146 | 95.2 Ų | 95.2 | 78% | 0.781 | 45% | 0.452 | S | S | * | . | trans | 49.7 | 46.2 | -178.9 | -158.2 | 27.2 | 0 | 0 | 0 | 113.1 | D732 G737 | D732-N735 PolarHBondContact O-N 2.91Å; D732-N735 PolarHBondContact OD1-N 2.78Å; D732-N735 WeakPolarHBondContact OD2-CA 3.46Å; N735-G737 VanDerWaalsContact C-N 3.3Å | ||
| 736 | R | 83 | Confident | 82.1 | Confident | 184 Ų | 184 | 99 Ų | 99 | 69% | 0.694 | 47% | 0.468 | S | S | * | . | trans | -85 | -6.9 | -179.7 | -64.4 | -178 | -173.8 | 174.7 | 5.9 | 112.5 | D732 H734 R738 | D732-R736 VanDerWaalsContact CG-N 3.29Å; D732-R736 PolarHBondContact OD1-N 3.32Å; D732-R736 PolarHBondContact OD2-N 2.96Å; H734-R736 VanDerWaalsContact C-N 3.28Å; H734-R736 HydrophobicContact CB-CG 3.88Å; H734-R736 PolarHBondContact CD2-NH2 2.83Å; H734-R736 PolarHBondContact O-N 3.49Å; R736-R738 PolarHBondContact O-N 3.44Å | ||
| 737 | G | 83.3 | Confident | 81.9 | Confident | 50 Ų | 50 | 102 Ų | 102 | 52% | 0.515 | 49% | 0.486 | S | S | . | . | S | Bend | trans | 69.8 | 16 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D732 N735 | D732-G737 WeakPolarHBondContact OD2-CA 3.41Å; D732-G737 PolarHBondContact OD2-N 3.15Å; N735-G737 VanDerWaalsContact C-N 3.3Å |
| 738 | R | 84.4 | Confident | 81.6 | Confident | 213 Ų | 213 | 104.3 Ų | 104.3 | 80% | 0.804 | 50% | 0.497 | S | S | * | . | trans | -149.2 | 132.5 | -177.6 | -62.4 | -174.5 | -175.3 | -176.9 | 1 | 111.6 | R736 | R736-R738 PolarHBondContact O-N 3.44Š| ||
| 739 | V | 83.4 | Confident | 81.2 | Confident | 38 Ų | 38 | 102.4 Ų | 102.4 | 23% | 0.23 | 49% | 0.49 | C | S | . | . | trans | -112.1 | 141.8 | 176.5 | 175.9 | 0 | 0 | 0 | 0 | 110.2 | F728 L731 D732 M741 | F728-V739 HydrophobicContact CD2-CG2 3.87Å; F728-V739 HydrophobicContact CE1-CG2 4.47Å; F728-V739 HydrophobicContact CE2-CB 4.33Å; F728-V739 HydrophobicContact CE2-CG2 3.72Å; F728-V739 HydrophobicContact CG-CG2 4.34Å; F728-V739 HydrophobicContact CZ-CG2 4.04Å; L731-V739 HydrophobicContact CB-CB 4.32Å; L731-V739 HydrophobicContact CB-CG1 3.57Å; L731-V739 HydrophobicContact CB-CG2 3.73Å; L731-V739 HydrophobicContact CD1-CG1 3.9Å; L731-V739 HydrophobicContact CG-CG1 4.27Å; D732-V739 HydrophobicContact CB-CG2 3.98Å; V739-M741 HydrophobicContact CB-CE 4.4Å; V739-M741 HydrophobicContact CG1-CE 3.8Å | ||
| 740 | R | 83.1 | Confident | 80.8 | Confident | 245 Ų | 245 | 101 Ų | 101 | 93% | 0.925 | 49% | 0.489 | S | S | * | . | trans | -109.9 | 123.6 | 172.6 | -172.2 | 176.8 | -177.7 | 163.2 | 0.7 | 109.5 | ||||
| 741 | M | 83.8 | Confident | 80.4 | Confident | 71 Ų | 71 | 106.7 Ų | 106.7 | 35% | 0.35 | 51% | 0.513 | S | S | . | . | trans | -134.3 | 151.9 | 179.3 | 61.8 | -173.4 | 71.7 | 0 | 0 | 111.2 | L731 V739 Q745 F746 L749 | L731-M741 HydrophobicContact CD1-CE 4.42Å; V739-M741 HydrophobicContact CB-CE 4.4Å; V739-M741 HydrophobicContact CG1-CE 3.8Å; M741-Q745 HydrophobicContact CB-CB 3.91Å; M741-F746 HydrophobicContact CG-CB 4.24Å; M741-F746 HydrophobicContact SD-CB 3.87Å; M741-F746 HydrophobicContact SD-CD2 3.86Å; M741-F746 HydrophobicContact SD-CG 4.38Å; M741-L749 HydrophobicContact CE-CD1 4.29Å | ||
| 742 | N | 84.6 | Confident | 79.4 | Confident | 87 Ų | 87 | 107 Ų | 107 | 47% | 0.465 | 52% | 0.515 | S | S | . | . | trans | -87.7 | 174.4 | 169.8 | 69.6 | 35.8 | 0 | 0 | 0 | 111.1 | M744 Q745 F746 | N742-M744 VanDerWaalsContact C-N 3.29Å; N742-M744 PolarHBondContact O-N 2.89Å; N742-M744 WeakPolarHBondContact OD1-CB 3.33Å; N742-M744 PolarHBondContact OD1-N 3.37Å; N742-Q745 PolarHBondContact O-N 3.19Å; N742-Q745 WeakPolarHBondContact OD1-CG 3.45Å; N742-Q745 PolarHBondContact OD1-N 3.03Å; N742-F746 WeakPolarHBondContact O-CB 3.49Å; N742-F746 PolarHBondContact O-N 3.42Å | ||
| 743 | I | 87.1 | Confident | 78 | Confident | 119 Ų | 119 | 108.2 Ų | 108.2 | 61% | 0.61 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.2 | -36.9 | -177 | -170.8 | 60.4 | 0 | 0 | 0 | 113 | F746 L747 | I743-F746 HydrophobicContact CD1-CD1 4.39Å; I743-F746 PolarHBondContact O-N 2.81Å; I743-L747 HydrophobicContact CD1-CG 4.39Å; I743-L747 HydrophobicContact CG1-CD1 4.15Å; I743-L747 HydrophobicContact CG1-CG 4.44Å; I743-L747 WeakPolarHBondContact O-CB 3.44Å; I743-L747 VanDerWaalsContact O-CG 3.25Å; I743-L747 WeakPolarHBondContact O-CG 3.22Å; I743-L747 PolarHBondContact O-N 3.45Å |
| 744 | M | 80.6 | Confident | 78 | Confident | 132 Ų | 132 | 105.8 Ų | 105.8 | 65% | 0.65 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.3 | -44.5 | 179.6 | -70.3 | -61.8 | -65.1 | 0 | 0 | 111.4 | N742 F746 L747 L748 | N742-M744 VanDerWaalsContact C-N 3.29Å; N742-M744 PolarHBondContact O-N 2.89Å; N742-M744 WeakPolarHBondContact OD1-CB 3.33Å; N742-M744 PolarHBondContact OD1-N 3.37Å; M744-F746 VanDerWaalsContact C-N 3.34Å; M744-L747 PolarHBondContact O-N 3.24Å; M744-L748 WeakPolarHBondContact O-CB 3.45Å; M744-L748 PolarHBondContact O-N 2.82Å |
| 745 | Q | 78.8 | Confident | 77.9 | Confident | 85 Ų | 85 | 104.7 Ų | 104.7 | 40% | 0.397 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 176 | -71.3 | 170.7 | -35.8 | 0 | 0 | 111.5 | M741 N742 L749 | M741-Q745 HydrophobicContact CB-CB 3.91Å; N742-Q745 PolarHBondContact O-N 3.19Å; N742-Q745 WeakPolarHBondContact OD1-CG 3.45Å; N742-Q745 PolarHBondContact OD1-N 3.03Å; Q745-L749 WeakPolarHBondContact O-CB 3.38Å; Q745-L749 PolarHBondContact O-N 2.85Å |
| 746 | F | 82.1 | Confident | 77.7 | Confident | 108 Ų | 108 | 102.4 Ų | 102.4 | 47% | 0.474 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.4 | -48.4 | 174.8 | 175.8 | -99.6 | 0 | 0 | 0 | 111.6 | M741 N742 I743 M744 L748 L749 S750 | M741-F746 HydrophobicContact CG-CB 4.24Å; M741-F746 HydrophobicContact SD-CB 3.87Å; M741-F746 HydrophobicContact SD-CD2 3.86Å; M741-F746 HydrophobicContact SD-CG 4.38Å; N742-F746 WeakPolarHBondContact O-CB 3.49Å; N742-F746 PolarHBondContact O-N 3.42Å; I743-F746 HydrophobicContact CD1-CD1 4.39Å; I743-F746 PolarHBondContact O-N 2.81Å; M744-F746 VanDerWaalsContact C-N 3.34Å; F746-L748 PolarHBondContact O-N 2.9Å; F746-L749 PolarHBondContact O-N 3.37Å; F746-S750 WeakPolarHBondContact O-CB 3.48Å; F746-S750 PolarHBondContact O-N 3.49Å; F746-S750 PolarHBondContact O-OG 2.74Å |
| 747 | L | 78.8 | Confident | 77.4 | Confident | 84 Ų | 84 | 97.6 Ų | 97.6 | 44% | 0.44 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 179.2 | -72.3 | 172.9 | 0 | 0 | 0 | 111.8 | I743 M744 L749 S750 M751 | I743-L747 HydrophobicContact CD1-CG 4.39Å; I743-L747 HydrophobicContact CG1-CD1 4.15Å; I743-L747 HydrophobicContact CG1-CG 4.44Å; I743-L747 WeakPolarHBondContact O-CB 3.44Å; I743-L747 VanDerWaalsContact O-CG 3.25Å; I743-L747 WeakPolarHBondContact O-CG 3.22Å; I743-L747 PolarHBondContact O-N 3.45Å; M744-L747 PolarHBondContact O-N 3.24Å; L747-L749 VanDerWaalsContact C-N 3.32Å; L747-L749 PolarHBondContact O-N 3.25Å; L747-S750 WeakPolarHBondContact CA-OG 3.43Å; L747-S750 PolarHBondContact O-N 2.84Å; L747-S750 PolarHBondContact O-OG 3.41Å; L747-M751 WeakPolarHBondContact O-CB 3.47Å; L747-M751 VanDerWaalsContact O-CG 3.27Å; L747-M751 WeakPolarHBondContact O-CG 3.33Å; L747-M751 PolarHBondContact O-N 2.94Å |
| 748 | L | 72.9 | Confident | 77 | Confident | 79 Ų | 79 | 100.6 Ų | 100.6 | 41% | 0.414 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 177.8 | -168.9 | 119.1 | 0 | 0 | 0 | 111.7 | M744 F746 N752 | M744-L748 WeakPolarHBondContact O-CB 3.45Å; M744-L748 PolarHBondContact O-N 2.82Å; F746-L748 PolarHBondContact O-N 2.9Å; L748-N752 PolarHBondContact O-N 3.03Å |
| 749 | L | 75.5 | Confident | 76.5 | Confident | 49 Ų | 49 | 93.1 Ų | 93.1 | 26% | 0.257 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.5 | -45.8 | 176.1 | -171.2 | 152.4 | 0 | 0 | 0 | 111.4 | V727 L731 M741 Q745 F746 L747 M751 N752 V753 | V727-L749 HydrophobicContact CG1-CD1 3.35Å; V727-L749 HydrophobicContact CG1-CG 4Å; L731-L749 HydrophobicContact CD1-CD1 4.02Å; M741-L749 HydrophobicContact CE-CD1 4.29Å; Q745-L749 WeakPolarHBondContact O-CB 3.38Å; Q745-L749 PolarHBondContact O-N 2.85Å; F746-L749 PolarHBondContact O-N 3.37Å; L747-L749 VanDerWaalsContact C-N 3.32Å; L747-L749 PolarHBondContact O-N 3.25Å; L749-M751 VanDerWaalsContact C-N 3.27Å; L749-M751 PolarHBondContact O-N 2.75Å; L749-N752 PolarHBondContact O-N 2.99Å; L749-V753 HydrophobicContact CD2-CG2 4.26Å; L749-V753 WeakPolarHBondContact O-CB 3.12Å; L749-V753 VanDerWaalsContact O-CG2 3.26Å; L749-V753 WeakPolarHBondContact O-CG2 3.49Å; L749-V753 PolarHBondContact O-N 2.95Å |
| 750 | S | 75.1 | Confident | 76 | Confident | 49 Ų | 49 | 97.1 Ų | 97.1 | 34% | 0.343 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69 | -19.9 | -178.1 | 65.7 | 0 | 0 | 0 | 0 | 115 | F746 L747 | F746-S750 WeakPolarHBondContact O-CB 3.48Å; F746-S750 PolarHBondContact O-N 3.49Å; F746-S750 PolarHBondContact O-OG 2.74Å; L747-S750 WeakPolarHBondContact CA-OG 3.43Å; L747-S750 PolarHBondContact O-N 2.84Å; L747-S750 PolarHBondContact O-OG 3.41Å |
| 751 | M | 69.6 | Low | 75.5 | Confident | 147 Ų | 147 | 85.7 Ų | 85.7 | 72% | 0.724 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -90.4 | -22.8 | 177.8 | -70.7 | -66.3 | -60.1 | 0 | 0 | 112.4 | L747 L749 | L747-M751 WeakPolarHBondContact O-CB 3.47Å; L747-M751 VanDerWaalsContact O-CG 3.27Å; L747-M751 WeakPolarHBondContact O-CG 3.33Å; L747-M751 PolarHBondContact O-N 2.94Å; L749-M751 VanDerWaalsContact C-N 3.27Å; L749-M751 PolarHBondContact O-N 2.75Å |
| 752 | N | 58 | Low | 74.8 | Confident | 66 Ų | 66 | 86.9 Ų | 86.9 | 35% | 0.353 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -96.1 | -4.3 | -180 | -71.7 | -2.3 | 0 | 0 | 0 | 113.1 | N634 N723 L748 L749 | N634-N752 WeakPolarHBondContact CB-O 3.23Å; N634-N752 PolarHBondContact ND2-O 3.47Å; N723-N752 PolarHBondContact ND2-O 3.2Å; L748-N752 PolarHBondContact O-N 3.03Å; L749-N752 PolarHBondContact O-N 2.99Å |
| 753 | V | 54.4 | Low | 73.9 | Confident | 38 Ų | 38 | 86.9 Ų | 86.9 | 23% | 0.23 | 45% | 0.445 | C | S | . | . | trans | -114.7 | 0 | 175.7 | 176.6 | 0 | 0 | 0 | 0 | 108.4 | R720 M724 L749 | R720-V753 VanDerWaalsContact CZ-O 3.29Å; R720-V753 PolarHBondContact NE-O 3.19Å; R720-V753 PolarHBondContact NH2-O 3.36Å; M724-V753 HydrophobicContact CE-CG1 3.59Å; M724-V753 HydrophobicContact CG-CB 4.48Å; M724-V753 HydrophobicContact CG-CG1 3.37Å; M724-V753 HydrophobicContact CG-CG2 4.28Å; M724-V753 HydrophobicContact SD-CG1 3.8Å; L749-V753 HydrophobicContact CD2-CG2 4.26Å; L749-V753 WeakPolarHBondContact O-CB 3.12Å; L749-V753 VanDerWaalsContact O-CG2 3.26Å; L749-V753 WeakPolarHBondContact O-CG2 3.49Å; L749-V753 PolarHBondContact O-N 2.95Å |
Retrieved 753 of 753 residues in 3031.2 ms
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