| 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 | 30.2 | Very low | 58.5 | Low | 239 Ų | 239 | 77.4 Ų | 77.4 | 100% | 1.177 | 44% | 0.439 | S | S | * | . | 0 | 127.5 | 0 | -67.1 | 176.2 | -169.2 | 0 | 0 | 105.1 | S3 | M1-S3 PolarHBondContact O-N 2.9Š| |||
| 2 | S | 28.8 | Very low | 61.2 | Low | 78 Ų | 78 | 73.3 Ų | 73.3 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | trans | -57 | 112.2 | -174 | 52.4 | 0 | 0 | 0 | 0 | 109.4 | S4 | S2-S4 PolarHBondContact O-N 3.33Š| ||
| 3 | S | 26.4 | Very low | 63.6 | Low | 81 Ų | 81 | 73.7 Ų | 73.7 | 57% | 0.566 | 41% | 0.411 | S | S | * | . | trans | -60.6 | 112.5 | 172.4 | 58.5 | 0 | 0 | 0 | 0 | 107.5 | M1 E236 | M1-S3 PolarHBondContact O-N 2.9Å; S3-E236 WeakPolarHBondContact CB-OE2 3.49Å; S3-E236 PolarHBondContact OG-OE2 3.14Å | ||
| 4 | S | 36.6 | Very low | 65.6 | Low | 80 Ų | 80 | 70.7 Ų | 70.7 | 56% | 0.559 | 40% | 0.396 | S | S | * | . | trans | -115.6 | 109.4 | 170 | 58.8 | 0 | 0 | 0 | 0 | 104.8 | S2 F6 | S2-S4 PolarHBondContact O-N 3.33Å; S4-F6 PolarHBondContact O-N 2.67Å | ||
| 5 | T | 51.1 | Low | 67.5 | Low | 44 Ų | 44 | 66.8 Ų | 66.8 | 27% | 0.27 | 38% | 0.375 | S | S | . | . | trans | -39.4 | 111.2 | 151.9 | -12.3 | 0 | 0 | 0 | 0 | 106 | Q7 T234 S237 | T5-Q7 VanDerWaalsContact C-N 3.34Å; T5-Q7 PolarHBondContact O-N 3Å; T5-T234 VanDerWaalsContact CG2-O 3.31Å; T5-T234 WeakPolarHBondContact CG2-O 3.45Å; T5-S237 WeakPolarHBondContact CG2-OG 3.21Å; T5-S237 PolarHBondContact OG1-OG 3.25Å; T5-S237 VanDerWaalsContact OG1-OG 3.11Å | ||
| 6 | F | 54.8 | Low | 69 | Low | 21 Ų | 21 | 64.8 Ų | 64.8 | 9% | 0.092 | 37% | 0.37 | C | S | . | . | trans | -64.6 | 102.1 | -171.1 | -167.5 | -77.1 | 0 | 0 | 0 | 108.4 | S4 A209 V210 K331 | S4-F6 PolarHBondContact O-N 2.67Å; F6-A209 HydrophobicContact CD1-CB 3.9Å; F6-A209 HydrophobicContact CE1-CB 3.15Å; F6-A209 HydrophobicContact CZ-CB 3.71Å; F6-V210 HydrophobicContact CB-CG2 3.96Å; F6-V210 HydrophobicContact CD1-CG2 4.36Å; F6-V210 HydrophobicContact CG-CG2 4.32Å; F6-K331 WeakPolarHBondContact O-CE 3.47Å | ||
| 7 | Q | 70 | Confident | 70.5 | Confident | 113 Ų | 113 | 65.9 Ų | 65.9 | 53% | 0.528 | 37% | 0.374 | S | S | . | . | trans | -109.5 | 155.2 | 163.4 | -72.3 | -176.8 | -20.5 | 0 | 0 | 106.3 | T5 P9 L335 | T5-Q7 VanDerWaalsContact C-N 3.34Å; T5-Q7 PolarHBondContact O-N 3Å; Q7-P9 VanDerWaalsContact O-N 3.11Å; Q7-L335 HydrophobicContact CG-CD2 4.44Å | ||
| 8 | V | 82.7 | Confident | 71.7 | Confident | 15 Ų | 15 | 63.7 Ų | 63.7 | 9% | 0.091 | 36% | 0.36 | C | S | . | . | trans | -44.1 | 121.1 | 169.7 | -176.1 | 0 | 0 | 0 | 0 | 109 | Y10 V12 T202 E205 | V8-Y10 HydrophobicContact CG1-CD1 3.74Å; V8-Y10 HydrophobicContact CG1-CD2 3.67Å; V8-Y10 HydrophobicContact CG1-CE1 3.27Å; V8-Y10 HydrophobicContact CG1-CE2 3.19Å; V8-Y10 HydrophobicContact CG1-CG 3.92Å; V8-Y10 VanDerWaalsContact CG1-OH 3.29Å; V8-Y10 WeakPolarHBondContact CG1-OH 3.48Å; V8-Y10 PolarHBondContact O-N 2.87Å; V8-Y10 VanDerWaalsContact O-N 3.08Å; V8-V12 HydrophobicContact CG1-CG2 4.28Å; V8-T202 HydrophobicContact CB-CG2 4.39Å; V8-T202 HydrophobicContact CG2-CG2 3.95Å; V8-E205 HydrophobicContact CG2-CB 4.28Å; V8-E205 HydrophobicContact CG2-CG 4.25Å | ||
| 9 | P | 84.5 | Confident | 72.8 | Confident | 64 Ų | 64 | 63.1 Ų | 63.1 | 42% | 0.416 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -74.6 | -6.3 | -161.8 | 27.6 | -35.3 | 0 | 0 | 0 | 114.3 | Q7 Q177 | Q7-P9 VanDerWaalsContact O-N 3.11Å; P9-Q177 HydrophobicContact CB-CB 4.24Å; P9-Q177 HydrophobicContact CG-CB 3.94Å; P9-Q177 PolarHBondContact O-OE1 3.39Å |
| 10 | Y | 88.5 | Confident | 73.8 | Confident | 15 Ų | 15 | 62.5 Ų | 62.5 | 6% | 0.059 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -111.1 | 158.3 | -177.8 | 49.1 | -98.1 | 0 | 0 | 0 | 111.6 | V8 V12 L162 I179 N180 L182 | V8-Y10 HydrophobicContact CG1-CD1 3.74Å; V8-Y10 HydrophobicContact CG1-CD2 3.67Å; V8-Y10 HydrophobicContact CG1-CE1 3.27Å; V8-Y10 HydrophobicContact CG1-CE2 3.19Å; V8-Y10 HydrophobicContact CG1-CG 3.92Å; V8-Y10 VanDerWaalsContact CG1-OH 3.29Å; V8-Y10 WeakPolarHBondContact CG1-OH 3.48Å; V8-Y10 PolarHBondContact O-N 2.87Å; V8-Y10 VanDerWaalsContact O-N 3.08Å; Y10-V12 HydrophobicContact CD2-CG2 3.91Å; Y10-V12 HydrophobicContact CE2-CG2 3.87Å; Y10-V12 PolarHBondContact O-N 3.08Å; Y10-L162 HydrophobicContact CE1-CB 3.72Å; Y10-L162 HydrophobicContact CE1-CD1 4.16Å; Y10-L162 HydrophobicContact CE2-CD1 4.11Å; Y10-I179 HydrophobicContact CD1-CG1 4.11Å; Y10-I179 HydrophobicContact CD2-CD1 4.23Å; Y10-I179 HydrophobicContact CD2-CG1 4.39Å; Y10-I179 HydrophobicContact CE2-CD1 4.48Å; Y10-I179 HydrophobicContact CG-CD1 4.32Å; Y10-I179 HydrophobicContact CG-CG1 3.98Å; Y10-N180 WeakPolarHBondContact CB-O 3.33Å; Y10-L182 HydrophobicContact CD2-CB 4.13Å; Y10-L182 HydrophobicContact CE2-CB 3.87Å; Y10-L182 HydrophobicContact CE2-CD2 4.38Å |
| 11 | L | 90.1 | Very high | 74.7 | Confident | 101 Ų | 101 | 62.4 Ų | 62.4 | 53% | 0.529 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 130.7 | 178.8 | 177.8 | 65.9 | 0 | 0 | 0 | 110.6 | K13 N180 S181 L182 | L11-K13 HydrophobicContact CD2-CD 4.28Å; L11-N180 PolarHBondContact N-O 3.47Å; L11-S181 CarbonylContact O-C 3.57Å; L11-S181 WeakPolarHBondContact O-CA 3.05Å; L11-S181 WeakPolarHBondContact O-CB 3.3Å; L11-L182 PolarHBondContact O-N 3.47Å |
| 12 | V | 91.1 | Very high | 77.6 | Confident | 29 Ų | 29 | 53.3 Ų | 53.3 | 18% | 0.176 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 122.4 | 174.4 | -164.2 | 0 | 0 | 0 | 0 | 108.8 | V8 Y10 M159 L182 L198 | V8-V12 HydrophobicContact CG1-CG2 4.28Å; Y10-V12 HydrophobicContact CD2-CG2 3.91Å; Y10-V12 HydrophobicContact CE2-CG2 3.87Å; Y10-V12 PolarHBondContact O-N 3.08Å; V12-M159 HydrophobicContact CB-CE 4.46Å; V12-M159 HydrophobicContact CG1-CE 3.57Å; V12-M159 HydrophobicContact CG2-CE 4Å; V12-L182 WeakPolarHBondContact CA-O 3.43Å; V12-L198 HydrophobicContact CG1-CD1 3.2Å; V12-L198 HydrophobicContact CG1-CD2 3.82Å; V12-L198 HydrophobicContact CG1-CG 3.52Å |
| 13 | K | 91.9 | Very high | 80.6 | Confident | 78 Ų | 78 | 50.1 Ų | 50.1 | 34% | 0.339 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 167.8 | 177.9 | 64.1 | 177.9 | 179 | 168.6 | 0 | 112 | L11 Y23 L182 S183 L184 L198 | L11-K13 HydrophobicContact CD2-CD 4.28Å; K13-Y23 WeakPolarHBondContact CE-OH 3.12Å; K13-L182 PolarHBondContact N-O 3.48Å; K13-S183 WeakPolarHBondContact CE-OG 3.35Å; K13-S183 WeakPolarHBondContact CG-OG 3.31Å; K13-S183 CarbonylContact O-C 3.38Å; K13-S183 WeakPolarHBondContact O-CA 3.25Å; K13-S183 WeakPolarHBondContact O-CB 3.39Å; K13-L184 PolarHBondContact O-N 2.89Å; K13-L198 VanDerWaalsContact CA-CD2 3.44Å; K13-L198 WeakPolarHBondContact O-CD2 3.36Å |
| 14 | T | 92.1 | Very high | 83.7 | Confident | 32 Ų | 32 | 49.1 Ų | 49.1 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 155.1 | 172.1 | 47.3 | 0 | 0 | 0 | 0 | 110.1 | L184 M191 A195 L198 | T14-L184 CarbonylContact C-O 3.58Å; T14-L184 VanDerWaalsContact CA-O 3.3Å; T14-L184 WeakPolarHBondContact CA-O 3.34Å; T14-L184 HydrophobicContact CG2-CB 4.47Å; T14-M191 VanDerWaalsContact C-CE 3.48Å; T14-M191 HydrophobicContact CG2-CE 4.22Å; T14-M191 WeakPolarHBondContact OG1-CE 3.46Å; T14-A195 HydrophobicContact CG2-CB 4.49Å; T14-L198 HydrophobicContact CG2-CB 4.16Å; T14-L198 HydrophobicContact CG2-CD2 3.63Å; T14-L198 HydrophobicContact CG2-CG 4.49Å |
| 15 | C | 93 | Very high | 86.3 | Confident | 12 Ų | 12 | 45.4 Ų | 45.4 | 8% | 0.081 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 130.5 | -179 | -174.4 | 0 | 0 | 0 | 0 | 112.1 | N17 Y23 L138 L184 W185 C186 | C15-N17 PolarHBondContact SG-O 2.75Å; C15-Y23 HydrophobicContact CB-CE2 4.21Å; C15-Y23 VanDerWaalsContact CB-OH 3.27Å; C15-Y23 WeakPolarHBondContact CB-OH 3.38Å; C15-L138 HydrophobicContact CB-CD1 3.86Å; C15-L184 PolarHBondContact N-O 3.36Å; C15-W185 VanDerWaalsContact O-CA 3.27Å; C15-W185 WeakPolarHBondContact O-CA 3.02Å; C15-C186 PolarHBondContact O-N 3.47Å; C15-C186 VanDerWaalsContact O-N 3.13Å |
| 16 | A | 92.8 | Very high | 88.4 | Confident | 35 Ų | 35 | 43.3 Ų | 43.3 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -87.1 | -28.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F18 W185 C186 H188 M191 | A16-F18 PolarHBondContact O-N 2.86Å; A16-W185 PolarHBondContact O-NE1 3.49Å; A16-C186 VanDerWaalsContact CA-O 3.27Å; A16-C186 WeakPolarHBondContact CA-O 3.44Å; A16-H188 HydrophobicContact CB-CB 4.37Å; A16-M191 HydrophobicContact CB-SD 4.34Å |
| 17 | N | 93.1 | Very high | 90.3 | Very high | 83 Ų | 83 | 42.3 Ų | 42.3 | 44% | 0.444 | 24% | 0.243 | S | C | . | . | trans | -89.4 | 104.3 | -178.9 | -177.9 | 9.8 | 0 | 0 | 0 | 110.9 | C15 N19 D20 | C15-N17 PolarHBondContact SG-O 2.75Å; N17-N19 PolarHBondContact O-N 3.02Å; N17-N19 WeakPolarHBondContact OD1-CA 3.31Å; N17-N19 PolarHBondContact OD1-N 3.25Å; N17-D20 HydrophobicContact CB-CB 4.23Å; N17-D20 WeakPolarHBondContact O-CB 3.43Å; N17-D20 PolarHBondContact O-N 3.24Å | ||
| 18 | F | 92.5 | Very high | 91.5 | Very high | 27 Ų | 27 | 37 Ų | 37 | 12% | 0.118 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -18.8 | 177.4 | 76.5 | -92.3 | 0 | 0 | 0 | 113.8 | A16 L26 D39 L40 P42 L43 L73 L138 | A16-F18 PolarHBondContact O-N 2.86Å; F18-L26 HydrophobicContact CB-CD2 4.43Å; F18-L26 HydrophobicContact CD2-CD2 4.34Å; F18-D39 WeakPolarHBondContact CE1-O 3.43Å; F18-L40 HydrophobicContact CB-CD2 3.42Å; F18-L40 VanDerWaalsContact CB-CD2 3.42Å; F18-L40 HydrophobicContact CD1-CD2 3.66Å; F18-L40 HydrophobicContact CD2-CD2 4.09Å; F18-L40 HydrophobicContact CE1-CD2 4.47Å; F18-L40 HydrophobicContact CG-CD2 3.44Å; F18-L40 VanDerWaalsContact CG-CD2 3.44Å; F18-P42 HydrophobicContact CE1-CG 4.44Å; F18-P42 HydrophobicContact CZ-CB 4.14Å; F18-P42 HydrophobicContact CZ-CG 3.99Å; F18-L43 HydrophobicContact CD2-CD1 4.27Å; F18-L43 HydrophobicContact CE2-CD1 4.42Å; F18-L43 HydrophobicContact CE2-CD2 4.09Å; F18-L43 HydrophobicContact CE2-CG 4.18Å; F18-L73 HydrophobicContact CD2-CD1 4.19Å; F18-L73 WeakPolarHBondContact O-CD1 3.13Å; F18-L138 HydrophobicContact CB-CD2 4.27Å |
| 19 | N | 92.9 | Very high | 92.1 | Very high | 52 Ų | 52 | 36.2 Ų | 36.2 | 28% | 0.278 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 20.9 | -178.1 | -168.4 | 25.8 | 0 | 0 | 0 | 112.5 | N17 A21 V72 L73 H74 | N17-N19 PolarHBondContact O-N 3.02Å; N17-N19 WeakPolarHBondContact OD1-CA 3.31Å; N17-N19 PolarHBondContact OD1-N 3.25Å; N19-A21 PolarHBondContact O-N 3.27Å; N19-V72 PolarHBondContact OD1-O 3.41Å; N19-L73 VanDerWaalsContact OD1-CA 3.23Å; N19-L73 WeakPolarHBondContact OD1-CA 3.36Å; N19-H74 WeakPolarHBondContact OD1-CB 3.08Å; N19-H74 PolarHBondContact OD1-N 3.15Å |
| 20 | D | 92.5 | Very high | 92.5 | Very high | 51 Ų | 51 | 33.2 Ų | 33.2 | 27% | 0.273 | 19% | 0.194 | S | C | . | . | trans | -68.7 | 129 | 179.7 | -174.4 | -22.1 | 0 | 0 | 0 | 111.1 | N17 A22 Y23 | N17-D20 HydrophobicContact CB-CB 4.23Å; N17-D20 WeakPolarHBondContact O-CB 3.43Å; N17-D20 PolarHBondContact O-N 3.24Å; D20-A22 PolarHBondContact O-N 3.28Å; D20-A22 VanDerWaalsContact O-N 3.14Å; D20-A22 VanDerWaalsContact OD1-CB 3.31Å; D20-A22 WeakPolarHBondContact OD1-CB 3.39Å; D20-A22 PolarHBondContact OD1-N 3.36Å; D20-Y23 HydrophobicContact CB-CD2 3.79Å; D20-Y23 HydrophobicContact CB-CE2 3.7Å; D20-Y23 PolarHBondContact O-N 2.82Å | ||
| 21 | A | 92.7 | Very high | 92.7 | Very high | 60 Ų | 60 | 33.2 Ų | 33.2 | 50% | 0.496 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -12.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | N19 Y23 H74 | N19-A21 PolarHBondContact O-N 3.27Å; A21-Y23 PolarHBondContact O-N 2.79Å; A21-H74 VanDerWaalsContact CA-CD2 3.45Å; A21-H74 WeakPolarHBondContact CA-CD2 3.48Å |
| 22 | A | 92.3 | Very high | 92.6 | Very high | 49 Ų | 49 | 31.5 Ų | 31.5 | 41% | 0.405 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -12.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D20 S136 | D20-A22 PolarHBondContact O-N 3.28Å; D20-A22 VanDerWaalsContact O-N 3.14Å; D20-A22 VanDerWaalsContact OD1-CB 3.31Å; D20-A22 WeakPolarHBondContact OD1-CB 3.39Å; D20-A22 PolarHBondContact OD1-N 3.36Å; A22-S136 WeakPolarHBondContact O-CB 3.37Å |
| 23 | Y | 91.9 | Very high | 92.5 | Very high | 10 Ų | 10 | 30.4 Ų | 30.4 | 4% | 0.039 | 18% | 0.181 | C | C | . | . | trans | -107.7 | 137.8 | -177.2 | -54.2 | -69.9 | 0 | 0 | 0 | 112.7 | K13 C15 D20 A21 G25 S75 S136 L138 S183 | K13-Y23 WeakPolarHBondContact CE-OH 3.12Å; C15-Y23 HydrophobicContact CB-CE2 4.21Å; C15-Y23 VanDerWaalsContact CB-OH 3.27Å; C15-Y23 WeakPolarHBondContact CB-OH 3.38Å; D20-Y23 HydrophobicContact CB-CD2 3.79Å; D20-Y23 HydrophobicContact CB-CE2 3.7Å; D20-Y23 PolarHBondContact O-N 2.82Å; A21-Y23 PolarHBondContact O-N 2.79Å; Y23-G25 VanDerWaalsContact C-N 3.33Å; Y23-S75 WeakPolarHBondContact O-CB 3.43Å; Y23-S136 CarbonylContact C-O 3.58Å; Y23-S136 WeakPolarHBondContact CA-O 3.35Å; Y23-L138 HydrophobicContact CD1-CB 4.06Å; Y23-L138 HydrophobicContact CD2-CB 4.03Å; Y23-L138 HydrophobicContact CD2-CD2 4.17Å; Y23-L138 HydrophobicContact CE1-CB 4.44Å; Y23-L138 HydrophobicContact CE2-CB 4.39Å; Y23-L138 HydrophobicContact CE2-CD1 4.26Å; Y23-L138 HydrophobicContact CE2-CD2 4.24Å; Y23-L138 HydrophobicContact CG-CB 3.86Å; Y23-S183 VanDerWaalsContact CE1-OG 3.26Å; Y23-S183 WeakPolarHBondContact CE1-OG 3.44Å; Y23-S183 WeakPolarHBondContact OH-CB 3.46Å; Y23-S183 PolarHBondContact OH-OG 3.3Å | ||
| 24 | D | 90 | Very high | 92.2 | Very high | 61 Ų | 61 | 30.2 Ų | 30.2 | 33% | 0.326 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -85.6 | -7.1 | 179 | -55.8 | -57.4 | 0 | 0 | 0 | 112.9 | S75 R77 M134 K135 S136 | D24-S75 VanDerWaalsContact C-CB 3.45Å; D24-R77 WeakPolarHBondContact O-CD 3.13Å; D24-M134 HydrophobicContact CB-CB 3.73Å; D24-M134 HydrophobicContact CB-CG 3.74Å; D24-M134 VanDerWaalsContact O-SD 3.4Å; D24-K135 PolarHBondContact OD2-N 3.39Å; D24-S136 PolarHBondContact N-O 3.21Å; D24-S136 PolarHBondContact OD2-N 3.22Å |
| 25 | G | 91.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177 | 160.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y23 R77 L138 | Y23-G25 VanDerWaalsContact C-N 3.33Å; G25-R77 WeakPolarHBondContact CA-O 3.49Å; G25-L138 PolarHBondContact O-N 2.96Å; G25-L138 VanDerWaalsContact O-N 3.12Å |
| 26 | L | 94.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 119.2 | -178.6 | 173.8 | 59.8 | 0 | 0 | 0 | 109.9 | F18 V28 L43 L73 R77 L78 I79 L138 A140 | F18-L26 HydrophobicContact CB-CD2 4.43Å; F18-L26 HydrophobicContact CD2-CD2 4.34Å; L26-V28 HydrophobicContact CD1-CG2 4.5Å; L26-V28 HydrophobicContact CD2-CG2 4.26Å; L26-V28 HydrophobicContact CG-CG2 4.05Å; L26-L43 HydrophobicContact CD2-CD1 3.53Å; L26-L73 HydrophobicContact CB-CD1 4.24Å; L26-L73 HydrophobicContact CB-CD2 4.16Å; L26-L73 HydrophobicContact CD2-CD1 4.14Å; L26-R77 PolarHBondContact N-O 3.36Å; L26-L78 HydrophobicContact CB-CD1 4.36Å; L26-L78 HydrophobicContact CD2-CD1 4.12Å; L26-L78 HydrophobicContact CG-CD1 4.05Å; L26-I79 PolarHBondContact O-N 3.25Å; L26-L138 CarbonylContact C-O 3.52Å; L26-L138 WeakPolarHBondContact CA-O 3.29Å; L26-L138 HydrophobicContact CD1-CB 4.05Å; L26-L138 HydrophobicContact CD1-CD2 4Å; L26-L138 HydrophobicContact CD1-CG 3.88Å; L26-A140 HydrophobicContact CD1-CB 4.16Å |
| 27 | L | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 122.1 | 169.3 | -177.2 | 46.2 | 0 | 0 | 0 | 109 | V29 I79 M104 F107 I137 L138 L139 A140 | L27-V29 HydrophobicContact CD1-CG2 4.4Å; L27-V29 HydrophobicContact CG-CG2 4.21Å; L27-I79 CarbonylContact C-O 3.5Å; L27-I79 WeakPolarHBondContact CA-O 3.27Å; L27-I79 HydrophobicContact CD1-CB 4.23Å; L27-I79 HydrophobicContact CD1-CG2 3.94Å; L27-M104 HydrophobicContact CD2-CB 4.26Å; L27-M104 HydrophobicContact CD2-CE 3.99Å; L27-F107 HydrophobicContact CB-CD2 4.1Å; L27-F107 HydrophobicContact CB-CE2 3.33Å; L27-F107 HydrophobicContact CB-CZ 4.04Å; L27-F107 HydrophobicContact CD1-CD2 4.36Å; L27-F107 HydrophobicContact CD1-CE2 3.87Å; L27-F107 HydrophobicContact CD2-CD2 4.22Å; L27-F107 HydrophobicContact CD2-CE2 4.23Å; L27-F107 HydrophobicContact CG-CD2 4.43Å; L27-F107 HydrophobicContact CG-CE2 3.96Å; L27-I137 HydrophobicContact CB-CG2 4.42Å; L27-L138 PolarHBondContact N-O 3.09Å; L27-L139 HydrophobicContact CB-CD1 4.01Å; L27-L139 HydrophobicContact CD2-CD1 3.83Å; L27-L139 HydrophobicContact CG-CD1 3.72Å; L27-L139 CarbonylContact O-C 3.56Å; L27-L139 WeakPolarHBondContact O-CA 3.27Å; L27-A140 PolarHBondContact O-N 2.89Å |
| 28 | V | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.5 | 170.4 | 173.7 | 0 | 0 | 0 | 0 | 108.9 | L26 A30 L36 L78 I79 F80 S81 A140 | L26-V28 HydrophobicContact CD1-CG2 4.5Å; L26-V28 HydrophobicContact CD2-CG2 4.26Å; L26-V28 HydrophobicContact CG-CG2 4.05Å; V28-A30 HydrophobicContact CG1-CB 4.33Å; V28-L36 HydrophobicContact CG1-CD2 3.37Å; V28-L78 HydrophobicContact CB-CD1 4.18Å; V28-L78 HydrophobicContact CG2-CD1 3.52Å; V28-I79 PolarHBondContact N-O 3.18Å; V28-F80 HydrophobicContact CB-CD2 4.1Å; V28-F80 HydrophobicContact CG1-CD2 3.72Å; V28-F80 HydrophobicContact CG1-CE2 3.84Å; V28-S81 PolarHBondContact O-N 3.31Å; V28-A140 WeakPolarHBondContact CA-O 3.43Å; V28-A140 HydrophobicContact CG2-CB 4.31Å |
| 29 | V | 95.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 114.1 | 172.3 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | L27 S81 T83 F96 A99 A100 L139 A140 C141 G142 | L27-V29 HydrophobicContact CD1-CG2 4.4Å; L27-V29 HydrophobicContact CG-CG2 4.21Å; V29-S81 WeakPolarHBondContact CA-O 3.4Å; V29-T83 HydrophobicContact CG1-CG2 3.89Å; V29-F96 HydrophobicContact CG1-CD1 4.35Å; V29-A99 HydrophobicContact CG1-CB 3.73Å; V29-A100 HydrophobicContact CG2-CB 3.96Å; V29-L139 HydrophobicContact CG2-CD1 3.96Å; V29-A140 PolarHBondContact N-O 3Å; V29-C141 CarbonylContact O-C 3.6Å; V29-C141 WeakPolarHBondContact O-CA 3.44Å; V29-G142 PolarHBondContact O-N 2.79Å |
| 30 | A | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 165.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V28 D35 L36 F80 S81 A82 T83 | V28-A30 HydrophobicContact CG1-CB 4.33Å; A30-D35 HydrophobicContact CB-CB 4.41Å; A30-L36 HydrophobicContact CB-CD2 4.04Å; A30-F80 HydrophobicContact CB-CE2 4.01Å; A30-F80 HydrophobicContact CB-CZ 4.09Å; A30-S81 PolarHBondContact N-O 3.04Å; A30-A82 WeakPolarHBondContact O-CA 3.07Å; A30-T83 PolarHBondContact O-N 3.13Å; A30-T83 PolarHBondContact O-OG1 3.06Å |
| 31 | S | 91.7 | Very high | 90.4 | Very high | 16 Ų | 16 | 29.5 Ų | 29.5 | 11% | 0.112 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -84.1 | -35 | 172.1 | 85.2 | 0 | 0 | 0 | 0 | 112.1 | D35 T83 G84 | S31-D35 VanDerWaalsContact CB-OD2 3.28Å; S31-D35 WeakPolarHBondContact CB-OD2 3.45Å; S31-D35 PolarHBondContact N-OD2 3.43Å; S31-D35 PolarHBondContact OG-OD2 3.24Å; S31-T83 WeakPolarHBondContact CA-OG1 3.43Å; S31-T83 WeakPolarHBondContact CB-OG1 3.47Å; S31-T83 PolarHBondContact N-OG1 2.99Å; S31-G84 VanDerWaalsContact CB-O 3.26Å; S31-G84 WeakPolarHBondContact CB-O 3.5Å |
| 32 | D | 88.7 | Confident | 90.5 | Very high | 65 Ų | 65 | 29.7 Ų | 29.7 | 35% | 0.348 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -156.1 | 170.2 | 179.9 | -168.1 | 9.4 | 0 | 0 | 0 | 110.7 | A34 D35 | D32-A34 PolarHBondContact O-N 3.08Å; D32-D35 PolarHBondContact O-N 2.98Å |
| 33 | V | 87.8 | Confident | 90.6 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 4% | 0.036 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -57.8 | -29.5 | 170.7 | -170.7 | 0 | 0 | 0 | 0 | 111.8 | D35 L36 K44 L47 E48 F51 | V33-D35 VanDerWaalsContact C-N 3.25Å; V33-D35 PolarHBondContact O-N 3.05Å; V33-L36 HydrophobicContact CG1-CD1 4.14Å; V33-L36 WeakPolarHBondContact O-CB 3.43Å; V33-L36 WeakPolarHBondContact O-CG 3.34Å; V33-L36 PolarHBondContact O-N 2.94Å; V33-K44 HydrophobicContact CG1-CB 3.64Å; V33-K44 HydrophobicContact CG1-CD 3.77Å; V33-K44 HydrophobicContact CG1-CG 3.4Å; V33-K44 VanDerWaalsContact CG1-CG 3.4Å; V33-L47 HydrophobicContact CG2-CB 3.77Å; V33-E48 HydrophobicContact CB-CG 4.43Å; V33-E48 HydrophobicContact CG1-CG 4.12Å; V33-E48 HydrophobicContact CG2-CG 4.04Å; V33-F51 HydrophobicContact CG2-CD2 3.59Å; V33-F51 HydrophobicContact CG2-CE2 3.3Å; V33-F51 HydrophobicContact CG2-CZ 4.45Å |
| 34 | A | 86.4 | Confident | 90.6 | Very high | 74 Ų | 74 | 29.6 Ų | 29.6 | 61% | 0.612 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -63.2 | -30.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D32 L36 | D32-A34 PolarHBondContact O-N 3.08Å; A34-L36 PolarHBondContact O-N 3.17Å |
| 35 | D | 85.8 | Confident | 90.8 | Very high | 32 Ų | 32 | 30.3 Ų | 30.3 | 17% | 0.171 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -81.5 | -6 | 179.6 | -62.8 | -23.7 | 0 | 0 | 0 | 113 | A30 S31 D32 V33 P37 G142 V143 | A30-D35 HydrophobicContact CB-CB 4.41Å; S31-D35 VanDerWaalsContact CB-OD2 3.28Å; S31-D35 WeakPolarHBondContact CB-OD2 3.45Å; S31-D35 PolarHBondContact N-OD2 3.43Å; S31-D35 PolarHBondContact OG-OD2 3.24Å; D32-D35 PolarHBondContact O-N 2.98Å; V33-D35 VanDerWaalsContact C-N 3.25Å; V33-D35 PolarHBondContact O-N 3.05Å; D35-P37 WeakPolarHBondContact O-CD 3.08Å; D35-G142 VanDerWaalsContact O-CA 3.31Å; D35-G142 WeakPolarHBondContact O-CA 3.5Å; D35-V143 PolarHBondContact O-N 2.71Å |
| 36 | L | 87.6 | Confident | 91 | Very high | 10 Ų | 10 | 32.9 Ų | 32.9 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -71.2 | 130.7 | -178.8 | -62.4 | -179.6 | 0 | 0 | 0 | 110.6 | V28 A30 V33 A34 L40 L47 | V28-L36 HydrophobicContact CG1-CD2 3.37Å; A30-L36 HydrophobicContact CB-CD2 4.04Å; V33-L36 HydrophobicContact CG1-CD1 4.14Å; V33-L36 WeakPolarHBondContact O-CB 3.43Å; V33-L36 WeakPolarHBondContact O-CG 3.34Å; V33-L36 PolarHBondContact O-N 2.94Å; A34-L36 PolarHBondContact O-N 3.17Å; L36-L40 HydrophobicContact CB-CB 4.47Å; L36-L47 HydrophobicContact CD1-CD1 3.35Å |
| 37 | P | 83.5 | Confident | 91 | Very high | 20 Ų | 20 | 32.9 Ų | 32.9 | 13% | 0.13 | 21% | 0.209 | C | C | . | . | trans | -48.9 | 146.3 | 170.3 | -27.1 | 33 | 0 | 0 | 0 | 112.4 | D35 D39 L40 V143 W185 | D35-P37 WeakPolarHBondContact O-CD 3.08Å; P37-D39 PolarHBondContact O-N 3.08Å; P37-D39 VanDerWaalsContact O-N 3.17Å; P37-L40 HydrophobicContact CG-CD1 4.45Å; P37-L40 PolarHBondContact O-N 3.27Å; P37-V143 HydrophobicContact CG-CG2 4.48Å; P37-W185 HydrophobicContact CB-CH2 3.2Å; P37-W185 HydrophobicContact CB-CZ2 4.21Å; P37-W185 HydrophobicContact CB-CZ3 3.42Å; P37-W185 VanDerWaalsContact CB-CZ3 3.42Å; P37-W185 HydrophobicContact CG-CE3 4.11Å; P37-W185 HydrophobicContact CG-CH2 3.64Å; P37-W185 HydrophobicContact CG-CZ3 3.23Å | ||
| 38 | A | 86.1 | Confident | 90.9 | Very high | 83 Ų | 83 | 38 Ų | 38 | 69% | 0.686 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -56.4 | -35.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L40 A41 | A38-L40 PolarHBondContact O-N 3.09Å; A38-A41 WeakPolarHBondContact O-CB 3.23Å; A38-A41 PolarHBondContact O-N 3.32Å |
| 39 | D | 88.2 | Confident | 90.9 | Very high | 86 Ų | 86 | 43.1 Ų | 43.1 | 46% | 0.46 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -64.4 | -23.2 | 178.1 | -58.8 | -57.2 | 0 | 0 | 0 | 113.4 | F18 P37 A41 P42 W185 | F18-D39 WeakPolarHBondContact CE1-O 3.43Å; P37-D39 PolarHBondContact O-N 3.08Å; P37-D39 VanDerWaalsContact O-N 3.17Å; D39-A41 VanDerWaalsContact C-N 3.27Å; D39-P42 WeakPolarHBondContact O-CD 3.26Å; D39-W185 HydrophobicContact CB-CH2 4.34Å; D39-W185 HydrophobicContact CB-CZ2 3.62Å |
| 40 | L | 90.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -87.3 | 7.1 | 174.9 | -58.3 | -175.9 | 0 | 0 | 0 | 112.6 | F18 L36 P37 A38 P42 L43 A140 W185 | F18-L40 HydrophobicContact CB-CD2 3.42Å; F18-L40 VanDerWaalsContact CB-CD2 3.42Å; F18-L40 HydrophobicContact CD1-CD2 3.66Å; F18-L40 HydrophobicContact CD2-CD2 4.09Å; F18-L40 HydrophobicContact CE1-CD2 4.47Å; F18-L40 HydrophobicContact CG-CD2 3.44Å; F18-L40 VanDerWaalsContact CG-CD2 3.44Å; L36-L40 HydrophobicContact CB-CB 4.47Å; P37-L40 HydrophobicContact CG-CD1 4.45Å; P37-L40 PolarHBondContact O-N 3.27Å; A38-L40 PolarHBondContact O-N 3.09Å; L40-P42 VanDerWaalsContact C-N 3.27Å; L40-L43 HydrophobicContact CB-CD1 4.35Å; L40-L43 HydrophobicContact CD2-CD1 4.22Å; L40-L43 WeakPolarHBondContact O-CB 3.21Å; L40-L43 PolarHBondContact O-N 3.22Å; L40-A140 HydrophobicContact CD1-CB 3.73Å; L40-W185 HydrophobicContact CD2-CD2 4.42Å |
| 41 | A | 89.3 | Confident | 90.7 | Very high | 45 Ų | 45 | 46.5 Ų | 46.5 | 37% | 0.372 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -48.8 | -38 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A38 D39 L43 K44 | A38-A41 WeakPolarHBondContact O-CB 3.23Å; A38-A41 PolarHBondContact O-N 3.32Å; D39-A41 VanDerWaalsContact C-N 3.27Å; A41-L43 PolarHBondContact O-N 3.23Å; A41-L43 VanDerWaalsContact O-N 3.08Å; A41-K44 WeakPolarHBondContact O-CB 3.44Å; A41-K44 WeakPolarHBondContact O-CG 3.12Å; A41-K44 PolarHBondContact O-N 3.34Å |
| 42 | P | 94 | Very high | 90.8 | Very high | 64 Ų | 64 | 49.4 Ų | 49.4 | 42% | 0.416 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -59.8 | -20.5 | 177.4 | -26.9 | 37.4 | 0 | 0 | 0 | 114.8 | F18 D39 L40 V72 | F18-P42 HydrophobicContact CE1-CG 4.44Å; F18-P42 HydrophobicContact CZ-CB 4.14Å; F18-P42 HydrophobicContact CZ-CG 3.99Å; D39-P42 WeakPolarHBondContact O-CD 3.26Å; L40-P42 VanDerWaalsContact C-N 3.27Å; P42-V72 HydrophobicContact CB-CG1 4.03Å |
| 43 | L | 94.2 | Very high | 91 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -84.5 | -20.1 | 178.4 | -56.3 | 177.7 | 0 | 0 | 0 | 112.9 | F18 L26 L40 A41 F46 L47 V68 V72 L73 L78 | F18-L43 HydrophobicContact CD2-CD1 4.27Å; F18-L43 HydrophobicContact CE2-CD1 4.42Å; F18-L43 HydrophobicContact CE2-CD2 4.09Å; F18-L43 HydrophobicContact CE2-CG 4.18Å; L26-L43 HydrophobicContact CD2-CD1 3.53Å; L40-L43 HydrophobicContact CB-CD1 4.35Å; L40-L43 HydrophobicContact CD2-CD1 4.22Å; L40-L43 WeakPolarHBondContact O-CB 3.21Å; L40-L43 PolarHBondContact O-N 3.22Å; A41-L43 PolarHBondContact O-N 3.23Å; A41-L43 VanDerWaalsContact O-N 3.08Å; L43-F46 PolarHBondContact O-N 2.72Å; L43-F46 VanDerWaalsContact O-N 3.16Å; L43-L47 PolarHBondContact O-N 2.96Å; L43-V68 HydrophobicContact CD2-CG1 4.24Å; L43-V72 HydrophobicContact CD2-CG1 4.16Å; L43-L73 HydrophobicContact CD2-CB 4.34Å; L43-L78 HydrophobicContact CB-CD2 4.48Å; L43-L78 HydrophobicContact CD1-CD1 4.47Å |
| 44 | K | 93.7 | Very high | 91.1 | Very high | 56 Ų | 56 | 54.9 Ų | 54.9 | 24% | 0.243 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.8 | -46.9 | -172.9 | -63.7 | -170.8 | 170.8 | -168.7 | 0 | 113.7 | V33 A41 F46 L47 E48 | V33-K44 HydrophobicContact CG1-CB 3.64Å; V33-K44 HydrophobicContact CG1-CD 3.77Å; V33-K44 HydrophobicContact CG1-CG 3.4Å; V33-K44 VanDerWaalsContact CG1-CG 3.4Å; A41-K44 WeakPolarHBondContact O-CB 3.44Å; A41-K44 WeakPolarHBondContact O-CG 3.12Å; A41-K44 PolarHBondContact O-N 3.34Å; K44-F46 PolarHBondContact O-N 3.34Å; K44-F46 VanDerWaalsContact O-N 3.14Å; K44-L47 PolarHBondContact O-N 2.93Å; K44-L47 VanDerWaalsContact O-N 3.1Å; K44-E48 WeakPolarHBondContact O-CB 3.38Å; K44-E48 WeakPolarHBondContact O-CG 3.27Å; K44-E48 PolarHBondContact O-N 3.42Å |
| 45 | P | 94.1 | Very high | 91.3 | Very high | 77 Ų | 77 | 59.4 Ų | 59.4 | 50% | 0.5 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.7 | -32.2 | -178.6 | -24.7 | 35.5 | 0 | 0 | 0 | 113.3 | N49 | P45-N49 WeakPolarHBondContact O-CB 3.43Å; P45-N49 PolarHBondContact O-N 3.23Å |
| 46 | F | 94.5 | Very high | 91.6 | Very high | 55 Ų | 55 | 60 Ų | 60 | 24% | 0.241 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -74 | -40.1 | 179.1 | -59.1 | -83.2 | 0 | 0 | 0 | 111.7 | L43 K44 F50 I66 V68 P69 V72 | L43-F46 PolarHBondContact O-N 2.72Å; L43-F46 VanDerWaalsContact O-N 3.16Å; K44-F46 PolarHBondContact O-N 3.34Å; K44-F46 VanDerWaalsContact O-N 3.14Å; F46-F50 WeakPolarHBondContact O-CB 3.42Å; F46-F50 PolarHBondContact O-N 3.08Å; F46-F50 VanDerWaalsContact O-N 3.08Å; F46-I66 HydrophobicContact CB-CG2 4.48Å; F46-V68 HydrophobicContact CB-CG2 4.3Å; F46-V68 HydrophobicContact CD2-CG1 4.21Å; F46-V68 HydrophobicContact CE2-CG1 4.22Å; F46-V68 HydrophobicContact CG-CG1 4.43Å; F46-V68 HydrophobicContact CG-CG2 4.28Å; F46-V68 HydrophobicContact CZ-CG1 4.44Å; F46-P69 HydrophobicContact CE1-CG 3.78Å; F46-P69 HydrophobicContact CZ-CG 4.01Å; F46-V72 HydrophobicContact CE2-CB 4.32Å; F46-V72 HydrophobicContact CE2-CG1 3.92Å; F46-V72 HydrophobicContact CE2-CG2 4.06Å; F46-V72 HydrophobicContact CZ-CG2 4.07Å |
| 47 | L | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.9 | -48.8 | 176.1 | -66.9 | 174.2 | 0 | 0 | 0 | 111.3 | V33 L36 L43 K44 N49 F50 F51 I66 L78 F80 | V33-L47 HydrophobicContact CG2-CB 3.77Å; L36-L47 HydrophobicContact CD1-CD1 3.35Å; L43-L47 PolarHBondContact O-N 2.96Å; K44-L47 PolarHBondContact O-N 2.93Å; K44-L47 VanDerWaalsContact O-N 3.1Å; L47-N49 PolarHBondContact O-N 2.74Å; L47-F50 CarbonylContact O-C 3.52Å; L47-F50 WeakPolarHBondContact O-CB 2.88Å; L47-F50 PolarHBondContact O-N 3.12Å; L47-F50 VanDerWaalsContact O-N 3.09Å; L47-F51 HydrophobicContact CB-CE2 3.98Å; L47-F51 HydrophobicContact CB-CZ 4.09Å; L47-F51 HydrophobicContact CD2-CE1 4.49Å; L47-F51 HydrophobicContact CD2-CZ 4.04Å; L47-F51 WeakPolarHBondContact O-CB 3.3Å; L47-F51 WeakPolarHBondContact O-CD1 3.12Å; L47-F51 WeakPolarHBondContact O-CD2 3.27Å; L47-F51 WeakPolarHBondContact O-CG 3.27Å; L47-F51 PolarHBondContact O-N 3.43Å; L47-I66 HydrophobicContact CD2-CD1 3.46Å; L47-I66 VanDerWaalsContact CD2-CD1 3.46Å; L47-L78 HydrophobicContact CD2-CD2 3.75Å; L47-L78 HydrophobicContact CG-CD2 4.11Å; L47-F80 HydrophobicContact CD1-CD2 4.16Å; L47-F80 HydrophobicContact CD1-CE2 4.37Å; L47-F80 HydrophobicContact CD2-CB 4Å; L47-F80 HydrophobicContact CD2-CD2 3.75Å; L47-F80 HydrophobicContact CD2-CG 4.05Å |
| 48 | E | 94.3 | Very high | 92.2 | Very high | 108 Ų | 108 | 60.9 Ų | 60.9 | 51% | 0.505 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 178.5 | -70.6 | 171.2 | 172.2 | 0 | 0 | 111.6 | V33 K44 F50 F51 A52 | V33-E48 HydrophobicContact CB-CG 4.43Å; V33-E48 HydrophobicContact CG1-CG 4.12Å; V33-E48 HydrophobicContact CG2-CG 4.04Å; K44-E48 WeakPolarHBondContact O-CB 3.38Å; K44-E48 WeakPolarHBondContact O-CG 3.27Å; K44-E48 PolarHBondContact O-N 3.42Å; E48-F50 VanDerWaalsContact C-N 3.31Å; E48-F50 PolarHBondContact O-N 2.96Å; E48-F51 PolarHBondContact O-N 2.9Å; E48-A52 WeakPolarHBondContact O-CB 3.41Å; E48-A52 PolarHBondContact O-N 2.84Å |
| 49 | N | 93.9 | Very high | 92.6 | Very high | 107 Ų | 107 | 61.5 Ų | 61.5 | 57% | 0.572 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.5 | -39.5 | 175.2 | -174.2 | 47.1 | 0 | 0 | 0 | 111.6 | P45 L47 L53 | P45-N49 WeakPolarHBondContact O-CB 3.43Å; P45-N49 PolarHBondContact O-N 3.23Å; L47-N49 PolarHBondContact O-N 2.74Å; N49-L53 WeakPolarHBondContact O-CG 3.4Å; N49-L53 PolarHBondContact O-N 2.93Å |
| 50 | F | 93 | Very high | 92.6 | Very high | 55 Ų | 55 | 59.4 Ų | 59.4 | 24% | 0.241 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 175.9 | -165.6 | -81.8 | 0 | 0 | 0 | 111.8 | F46 L47 E48 A52 L53 D54 A57 R64 I66 | F46-F50 WeakPolarHBondContact O-CB 3.42Å; F46-F50 PolarHBondContact O-N 3.08Å; F46-F50 VanDerWaalsContact O-N 3.08Å; L47-F50 CarbonylContact O-C 3.52Å; L47-F50 WeakPolarHBondContact O-CB 2.88Å; L47-F50 PolarHBondContact O-N 3.12Å; L47-F50 VanDerWaalsContact O-N 3.09Å; E48-F50 VanDerWaalsContact C-N 3.31Å; E48-F50 PolarHBondContact O-N 2.96Å; F50-A52 VanDerWaalsContact C-N 3.31Å; F50-A52 PolarHBondContact O-N 2.84Å; F50-L53 WeakPolarHBondContact O-CB 3.27Å; F50-L53 PolarHBondContact O-N 3.26Å; F50-D54 HydrophobicContact CE1-CB 4.09Å; F50-D54 PolarHBondContact O-N 3.08Å; F50-A57 HydrophobicContact CD1-CB 3.99Å; F50-A57 HydrophobicContact CE1-CB 3.89Å; F50-R64 HydrophobicContact CE1-CB 4.01Å; F50-R64 HydrophobicContact CE1-CG 3.63Å; F50-R64 HydrophobicContact CZ-CB 4.14Å; F50-R64 HydrophobicContact CZ-CG 4.03Å; F50-I66 HydrophobicContact CB-CD1 4.09Å; F50-I66 HydrophobicContact CD1-CD1 4.14Å; F50-I66 HydrophobicContact CD1-CG1 4.47Å; F50-I66 HydrophobicContact CD2-CD1 4.27Å; F50-I66 HydrophobicContact CD2-CG1 3.9Å; F50-I66 HydrophobicContact CD2-CG2 4.41Å; F50-I66 HydrophobicContact CE2-CG1 4.22Å; F50-I66 HydrophobicContact CG-CD1 3.88Å; F50-I66 HydrophobicContact CG-CG1 4.04Å |
| 51 | F | 93.3 | Very high | 92.4 | Very high | 16 Ų | 16 | 61.3 Ų | 61.3 | 7% | 0.07 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69 | -29.7 | -178.7 | -58.9 | -18.7 | 0 | 0 | 0 | 112.5 | V33 L47 E48 L53 D54 K55 A57 L58 F80 | V33-F51 HydrophobicContact CG2-CD2 3.59Å; V33-F51 HydrophobicContact CG2-CE2 3.3Å; V33-F51 HydrophobicContact CG2-CZ 4.45Å; L47-F51 HydrophobicContact CB-CE2 3.98Å; L47-F51 HydrophobicContact CB-CZ 4.09Å; L47-F51 HydrophobicContact CD2-CE1 4.49Å; L47-F51 HydrophobicContact CD2-CZ 4.04Å; L47-F51 WeakPolarHBondContact O-CB 3.3Å; L47-F51 WeakPolarHBondContact O-CD1 3.12Å; L47-F51 WeakPolarHBondContact O-CD2 3.27Å; L47-F51 WeakPolarHBondContact O-CG 3.27Å; L47-F51 PolarHBondContact O-N 3.43Å; E48-F51 PolarHBondContact O-N 2.9Å; F51-L53 VanDerWaalsContact C-N 3.25Å; F51-L53 PolarHBondContact O-N 3.45Å; F51-D54 CarbonylContact O-C 3.53Å; F51-K55 PolarHBondContact O-N 3.14Å; F51-A57 HydrophobicContact CD1-CB 3.68Å; F51-A57 HydrophobicContact CE1-CB 3.86Å; F51-L58 HydrophobicContact CD1-CD2 4.31Å; F51-L58 HydrophobicContact CD1-CG 4.49Å; F51-L58 HydrophobicContact CD2-CD1 4.27Å; F51-L58 HydrophobicContact CD2-CD2 3.77Å; F51-L58 HydrophobicContact CD2-CG 4.2Å; F51-L58 HydrophobicContact CE1-CD2 4.08Å; F51-L58 HydrophobicContact CE2-CD2 3.47Å; F51-L58 VanDerWaalsContact CE2-CD2 3.47Å; F51-L58 HydrophobicContact CE2-CG 4.38Å; F51-L58 HydrophobicContact CG-CD2 4.19Å; F51-L58 HydrophobicContact CG-CG 4.27Å; F51-L58 HydrophobicContact CZ-CD2 3.66Å; F51-F80 AromaticContact CE1-CD1 3.98Å; F51-F80 HydrophobicContact CE1-CD1 3.98Å; F51-F80 HydrophobicContact CE1-CE1 4.15Å; F51-F80 HydrophobicContact CE1-CG 4.39Å; F51-F80 HydrophobicContact CE2-CE1 4.36Å; F51-F80 HydrophobicContact CE2-CZ 4.19Å; F51-F80 AromaticContact CZ-CD1 3.65Å; F51-F80 HydrophobicContact CZ-CD1 3.65Å; F51-F80 HydrophobicContact CZ-CD2 4.08Å; F51-F80 AromaticContact CZ-CE1 3.51Å; F51-F80 HydrophobicContact CZ-CE1 3.51Å; F51-F80 AromaticContact CZ-CE2 3.95Å; F51-F80 HydrophobicContact CZ-CE2 3.95Å; F51-F80 AromaticContact CZ-CG 3.93Å; F51-F80 HydrophobicContact CZ-CG 3.93Å; F51-F80 AromaticContact CZ-CZ 3.67Å; F51-F80 HydrophobicContact CZ-CZ 3.67Å |
| 52 | A | 92.9 | Very high | 92.6 | Very high | 77 Ų | 77 | 59.7 Ų | 59.7 | 64% | 0.636 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.8 | -32 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E48 F50 | E48-A52 WeakPolarHBondContact O-CB 3.41Å; E48-A52 PolarHBondContact O-N 2.84Å; F50-A52 VanDerWaalsContact C-N 3.31Å; F50-A52 PolarHBondContact O-N 2.84Å |
| 53 | L | 92.8 | Very high | 92.5 | Very high | 141 Ų | 141 | 58 Ų | 58 | 74% | 0.738 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -83.6 | -41.9 | 177.4 | -65.6 | 169.9 | 0 | 0 | 0 | 112.7 | N49 F50 F51 | N49-L53 WeakPolarHBondContact O-CG 3.4Å; N49-L53 PolarHBondContact O-N 2.93Å; F50-L53 WeakPolarHBondContact O-CB 3.27Å; F50-L53 PolarHBondContact O-N 3.26Å; F51-L53 VanDerWaalsContact C-N 3.25Å; F51-L53 PolarHBondContact O-N 3.45Å |
| 54 | D | 91.7 | Very high | 92.4 | Very high | 45 Ų | 45 | 60.9 Ų | 60.9 | 24% | 0.241 | 34% | 0.336 | C | S | . | . | trans | -131.4 | 90.9 | -179.6 | 179 | 17.7 | 0 | 0 | 0 | 110.5 | F50 F51 S56 A57 R64 | F50-D54 HydrophobicContact CE1-CB 4.09Å; F50-D54 PolarHBondContact O-N 3.08Å; F51-D54 CarbonylContact O-C 3.53Å; D54-S56 VanDerWaalsContact CG-OG 3.32Å; D54-S56 PolarHBondContact O-N 2.77Å; D54-S56 WeakPolarHBondContact OD1-CB 3.39Å; D54-S56 PolarHBondContact OD1-N 3.16Å; D54-S56 VanDerWaalsContact OD1-N 3.08Å; D54-S56 PolarHBondContact OD1-OG 2.94Å; D54-S56 PolarHBondContact OD2-OG 3.1Å; D54-A57 WeakPolarHBondContact O-CB 3.44Å; D54-A57 PolarHBondContact O-N 2.79Å; D54-A57 VanDerWaalsContact O-N 3.1Å; D54-R64 IonicContact OD2-CZ 3.67Å; D54-R64 IonicContact OD2-NE 3.28Å; D54-R64 PolarHBondContact OD2-NE 3.16Å; D54-R64 IonicContact OD2-NH2 3.12Å; D54-R64 PolarHBondContact OD2-NH2 3.26Å | ||
| 55 | K | 89.5 | Confident | 92.3 | Very high | 170 Ų | 170 | 61.5 Ų | 61.5 | 74% | 0.739 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -62.3 | -24.4 | 177.1 | -66.2 | -175.6 | 179.8 | -178.1 | 0 | 113.1 | F51 A57 L58 | F51-K55 PolarHBondContact O-N 3.14Å; K55-A57 PolarHBondContact O-N 2.76Å; K55-L58 PolarHBondContact O-N 2.97Å |
| 56 | S | 92.2 | Very high | 92.1 | Very high | 45 Ų | 45 | 58.1 Ų | 58.1 | 32% | 0.315 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -69.8 | -8.7 | 177.7 | 78.5 | 0 | 0 | 0 | 0 | 113 | D54 L58 D59 S62 R64 | D54-S56 VanDerWaalsContact CG-OG 3.32Å; D54-S56 PolarHBondContact O-N 2.77Å; D54-S56 WeakPolarHBondContact OD1-CB 3.39Å; D54-S56 PolarHBondContact OD1-N 3.16Å; D54-S56 VanDerWaalsContact OD1-N 3.08Å; D54-S56 PolarHBondContact OD1-OG 2.94Å; D54-S56 PolarHBondContact OD2-OG 3.1Å; S56-L58 PolarHBondContact O-N 2.84Å; S56-D59 WeakPolarHBondContact CA-OD2 3.06Å; S56-D59 WeakPolarHBondContact CB-OD2 3.21Å; S56-D59 WeakPolarHBondContact O-CB 3.18Å; S56-D59 PolarHBondContact O-N 3.06Å; S56-D59 VanDerWaalsContact O-N 3.1Å; S56-S62 VanDerWaalsContact O-CB 3.29Å; S56-S62 WeakPolarHBondContact O-CB 3.14Å; S56-S62 PolarHBondContact O-OG 3.38Å; S56-R64 PolarHBondContact OG-NH2 3.2Å; S56-R64 VanDerWaalsContact OG-NH2 3.08Å |
| 57 | A | 91.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -66.5 | -9.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | F50 F51 D54 K55 S62 R64 A82 | F50-A57 HydrophobicContact CD1-CB 3.99Å; F50-A57 HydrophobicContact CE1-CB 3.89Å; F51-A57 HydrophobicContact CD1-CB 3.68Å; F51-A57 HydrophobicContact CE1-CB 3.86Å; D54-A57 WeakPolarHBondContact O-CB 3.44Å; D54-A57 PolarHBondContact O-N 2.79Å; D54-A57 VanDerWaalsContact O-N 3.1Å; K55-A57 PolarHBondContact O-N 2.76Å; A57-S62 PolarHBondContact O-OG 2.9Å; A57-R64 HydrophobicContact CB-CG 3.88Å; A57-A82 WeakPolarHBondContact O-CB 3.39Å |
| 58 | L | 92.5 | Very high | 91.8 | Very high | 47 Ų | 47 | 60.6 Ų | 60.6 | 25% | 0.246 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -102.5 | -4.9 | 173.1 | -62.6 | -179.1 | 0 | 0 | 0 | 112.8 | F51 K55 S56 F80 G84 | F51-L58 HydrophobicContact CD1-CD2 4.31Å; F51-L58 HydrophobicContact CD1-CG 4.49Å; F51-L58 HydrophobicContact CD2-CD1 4.27Å; F51-L58 HydrophobicContact CD2-CD2 3.77Å; F51-L58 HydrophobicContact CD2-CG 4.2Å; F51-L58 HydrophobicContact CE1-CD2 4.08Å; F51-L58 HydrophobicContact CE2-CD2 3.47Å; F51-L58 VanDerWaalsContact CE2-CD2 3.47Å; F51-L58 HydrophobicContact CE2-CG 4.38Å; F51-L58 HydrophobicContact CG-CD2 4.19Å; F51-L58 HydrophobicContact CG-CG 4.27Å; F51-L58 HydrophobicContact CZ-CD2 3.66Å; K55-L58 PolarHBondContact O-N 2.97Å; S56-L58 PolarHBondContact O-N 2.84Å; L58-F80 HydrophobicContact CD2-CE1 3.92Å; L58-F80 HydrophobicContact CD2-CZ 4.21Å; L58-G84 VanDerWaalsContact O-CA 3.32Å; L58-G84 WeakPolarHBondContact O-CA 3.34Å |
| 59 | D | 93.1 | Very high | 91.7 | Very high | 96 Ų | 96 | 58.3 Ų | 58.3 | 51% | 0.513 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -67.9 | 146.1 | 179.2 | -69.3 | -26.8 | 0 | 0 | 0 | 110.7 | S56 G61 S62 | S56-D59 WeakPolarHBondContact CA-OD2 3.06Å; S56-D59 WeakPolarHBondContact CB-OD2 3.21Å; S56-D59 WeakPolarHBondContact O-CB 3.18Å; S56-D59 PolarHBondContact O-N 3.06Å; S56-D59 VanDerWaalsContact O-N 3.1Å; D59-G61 PolarHBondContact O-N 3.43Å; D59-S62 WeakPolarHBondContact O-CB 3.49Å; D59-S62 PolarHBondContact O-N 3.4Å; D59-S62 PolarHBondContact O-OG 3.43Å |
| 60 | A | 89.5 | Confident | 91.6 | Very high | 42 Ų | 42 | 55.9 Ų | 55.9 | 35% | 0.347 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 128 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S62 | A60-S62 VanDerWaalsContact C-N 3.32Š|
| 61 | G | 86.4 | Confident | 91.6 | Very high | 41 Ų | 41 | 59.6 Ų | 59.6 | 42% | 0.423 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | 0.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D59 | D59-G61 PolarHBondContact O-N 3.43Š|
| 62 | S | 92.6 | Very high | 91.6 | Very high | 11 Ų | 11 | 60.2 Ų | 60.2 | 8% | 0.077 | 36% | 0.358 | C | S | . | . | trans | -75.7 | 138.9 | 171.5 | 71 | 0 | 0 | 0 | 0 | 111.3 | S56 A57 D59 A60 A82 | S56-S62 VanDerWaalsContact O-CB 3.29Å; S56-S62 WeakPolarHBondContact O-CB 3.14Å; S56-S62 PolarHBondContact O-OG 3.38Å; A57-S62 PolarHBondContact O-OG 2.9Å; D59-S62 WeakPolarHBondContact O-CB 3.49Å; D59-S62 PolarHBondContact O-N 3.4Å; D59-S62 PolarHBondContact O-OG 3.43Å; A60-S62 VanDerWaalsContact C-N 3.32Å; S62-A82 PolarHBondContact O-N 2.94Å; S62-A82 VanDerWaalsContact OG-CB 3.31Å; S62-A82 WeakPolarHBondContact OG-CB 3.44Å | ||
| 63 | V | 92.5 | Very high | 91.5 | Very high | 29 Ų | 29 | 56.7 Ų | 56.7 | 18% | 0.176 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 135.7 | 173.4 | 62.1 | 0 | 0 | 0 | 0 | 109.1 | I79 F80 I102 R106 | V63-I79 HydrophobicContact CG2-CG2 3.44Å; V63-I79 VanDerWaalsContact CG2-CG2 3.44Å; V63-F80 CarbonylContact C-O 3.58Å; V63-F80 WeakPolarHBondContact CA-O 3.42Å; V63-I102 HydrophobicContact CB-CG2 3.89Å; V63-I102 HydrophobicContact CG1-CG2 3.72Å; V63-R106 HydrophobicContact CG1-CB 4.32Å; V63-R106 HydrophobicContact CG1-CG 4.39Å; V63-R106 HydrophobicContact CG2-CB 3.79Å; V63-R106 HydrophobicContact CG2-CG 3.98Å |
| 64 | R | 92.2 | Very high | 91.5 | Very high | 61 Ų | 61 | 54.8 Ų | 54.8 | 23% | 0.23 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 131.8 | -176.8 | -61.3 | -65.2 | -176.1 | -84.9 | -4.4 | 110.5 | F50 D54 S56 A57 I66 I79 F80 | F50-R64 HydrophobicContact CE1-CB 4.01Å; F50-R64 HydrophobicContact CE1-CG 3.63Å; F50-R64 HydrophobicContact CZ-CB 4.14Å; F50-R64 HydrophobicContact CZ-CG 4.03Å; D54-R64 IonicContact OD2-CZ 3.67Å; D54-R64 IonicContact OD2-NE 3.28Å; D54-R64 PolarHBondContact OD2-NE 3.16Å; D54-R64 IonicContact OD2-NH2 3.12Å; D54-R64 PolarHBondContact OD2-NH2 3.26Å; S56-R64 PolarHBondContact OG-NH2 3.2Å; S56-R64 VanDerWaalsContact OG-NH2 3.08Å; A57-R64 HydrophobicContact CB-CG 3.88Å; R64-I66 HydrophobicContact CB-CD1 4.31Å; R64-I66 HydrophobicContact CB-CG1 4.11Å; R64-I79 CarbonylContact O-C 3.56Å; R64-I79 VanDerWaalsContact O-CA 3.27Å; R64-I79 WeakPolarHBondContact O-CA 3.48Å; R64-F80 PolarHBondContact N-O 2.94Å; R64-F80 PolarHBondContact O-N 3.37Å |
| 65 | L | 91.2 | Very high | 91.4 | Very high | 69 Ų | 69 | 53.6 Ų | 53.6 | 36% | 0.361 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 117.8 | 165.6 | 175.7 | 69.3 | 0 | 0 | 0 | 107.4 | R77 L78 I79 I110 | L65-R77 HydrophobicContact CD1-CB 4.25Å; L65-L78 CarbonylContact C-O 3.58Å; L65-I79 HydrophobicContact CD1-CD1 4.37Å; L65-I79 HydrophobicContact CD1-CG1 3.76Å; L65-I110 HydrophobicContact CB-CD1 4.38Å; L65-I110 HydrophobicContact CD1-CD1 4.35Å; L65-I110 HydrophobicContact CD2-CD1 4.01Å; L65-I110 HydrophobicContact CG-CD1 4.49Å |
| 66 | I | 91.2 | Very high | 91.4 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 112.3 | -175.9 | -59.4 | 174.2 | 0 | 0 | 0 | 107 | F46 L47 F50 R64 V68 L78 F80 | F46-I66 HydrophobicContact CB-CG2 4.48Å; L47-I66 HydrophobicContact CD2-CD1 3.46Å; L47-I66 VanDerWaalsContact CD2-CD1 3.46Å; F50-I66 HydrophobicContact CB-CD1 4.09Å; F50-I66 HydrophobicContact CD1-CD1 4.14Å; F50-I66 HydrophobicContact CD1-CG1 4.47Å; F50-I66 HydrophobicContact CD2-CD1 4.27Å; F50-I66 HydrophobicContact CD2-CG1 3.9Å; F50-I66 HydrophobicContact CD2-CG2 4.41Å; F50-I66 HydrophobicContact CE2-CG1 4.22Å; F50-I66 HydrophobicContact CG-CD1 3.88Å; F50-I66 HydrophobicContact CG-CG1 4.04Å; R64-I66 HydrophobicContact CB-CD1 4.31Å; R64-I66 HydrophobicContact CB-CG1 4.11Å; I66-V68 PolarHBondContact O-N 3.16Å; I66-L78 HydrophobicContact CB-CB 4.48Å; I66-L78 PolarHBondContact N-O 2.81Å; I66-L78 WeakPolarHBondContact O-CB 3.24Å; I66-L78 PolarHBondContact O-N 3.31Å; I66-F80 HydrophobicContact CD1-CB 3.99Å |
| 67 | P | 88.7 | Confident | 91.3 | Very high | 104 Ų | 104 | 49.8 Ų | 49.8 | 68% | 0.675 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 128.5 | 174.3 | -20.2 | 32.7 | 0 | 0 | 0 | 110.2 | ||
| 68 | V | 92.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.024 | 29% | 0.291 | C | S | . | . | trans | -121.4 | 133.8 | 175.6 | 178.8 | 0 | 0 | 0 | 0 | 107.9 | L43 F46 I66 V72 L73 S76 L78 | L43-V68 HydrophobicContact CD2-CG1 4.24Å; F46-V68 HydrophobicContact CB-CG2 4.3Å; F46-V68 HydrophobicContact CD2-CG1 4.21Å; F46-V68 HydrophobicContact CE2-CG1 4.22Å; F46-V68 HydrophobicContact CG-CG1 4.43Å; F46-V68 HydrophobicContact CG-CG2 4.28Å; F46-V68 HydrophobicContact CZ-CG1 4.44Å; I66-V68 PolarHBondContact O-N 3.16Å; V68-V72 HydrophobicContact CG1-CB 3.76Å; V68-V72 HydrophobicContact CG1-CG1 3.82Å; V68-L73 HydrophobicContact CB-CB 4.01Å; V68-L73 HydrophobicContact CB-CD2 4.32Å; V68-L73 HydrophobicContact CG1-CB 3.67Å; V68-S76 PolarHBondContact N-O 3.29Å; V68-S76 WeakPolarHBondContact O-CA 3.4Å; V68-S76 WeakPolarHBondContact O-CB 3.35Å; V68-S76 PolarHBondContact O-OG 3.39Å; V68-L78 HydrophobicContact CG2-CB 3.77Å; V68-L78 HydrophobicContact CG2-CD2 3.95Å | ||
| 69 | P | 93.3 | Very high | 91.4 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 38% | 0.383 | 28% | 0.279 | S | S | . | . | trans | -53.3 | 139.9 | 176.7 | -30.1 | 38.5 | 0 | 0 | 0 | 113 | F46 N71 V72 L73 | F46-P69 HydrophobicContact CE1-CG 3.78Å; F46-P69 HydrophobicContact CZ-CG 4.01Å; P69-N71 WeakPolarHBondContact CB-OD1 3.47Å; P69-N71 PolarHBondContact O-N 2.88Å; P69-N71 VanDerWaalsContact O-N 3.08Å; P69-V72 PolarHBondContact O-N 2.93Å; P69-L73 PolarHBondContact O-N 2.93Å | ||
| 70 | A | 91.4 | Very high | 91.5 | Very high | 57 Ų | 57 | 43 Ų | 43 | 47% | 0.471 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -23.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | V72 L73 H74 S76 | A70-V72 VanDerWaalsContact C-N 3.3Å; A70-L73 WeakPolarHBondContact CA-O 3.44Å; A70-L73 CarbonylContact O-C 3.58Å; A70-H74 WeakPolarHBondContact O-CA 3.36Å; A70-S76 WeakPolarHBondContact CA-OG 3.43Å; A70-S76 WeakPolarHBondContact CB-OG 3.34Å; A70-S76 PolarHBondContact N-OG 3.04Å |
| 71 | N | 92.2 | Very high | 91.8 | Very high | 132 Ų | 132 | 41 Ų | 41 | 71% | 0.706 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | -17.7 | 174.8 | 64.2 | -44.8 | 0 | 0 | 0 | 113.5 | P69 | P69-N71 WeakPolarHBondContact CB-OD1 3.47Å; P69-N71 PolarHBondContact O-N 2.88Å; P69-N71 VanDerWaalsContact O-N 3.08Å |
| 72 | V | 93.1 | Very high | 92.2 | Very high | 30 Ų | 30 | 39 Ų | 39 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -43.6 | 175.3 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | N19 P42 L43 F46 V68 P69 A70 | N19-V72 PolarHBondContact OD1-O 3.41Å; P42-V72 HydrophobicContact CB-CG1 4.03Å; L43-V72 HydrophobicContact CD2-CG1 4.16Å; F46-V72 HydrophobicContact CE2-CB 4.32Å; F46-V72 HydrophobicContact CE2-CG1 3.92Å; F46-V72 HydrophobicContact CE2-CG2 4.06Å; F46-V72 HydrophobicContact CZ-CG2 4.07Å; V68-V72 HydrophobicContact CG1-CB 3.76Å; V68-V72 HydrophobicContact CG1-CG1 3.82Å; P69-V72 PolarHBondContact O-N 2.93Å; A70-V72 VanDerWaalsContact C-N 3.3Å |
| 73 | L | 92.5 | Very high | 92.3 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | trans | -136.7 | 112.7 | 176.1 | -179.9 | 67.2 | 0 | 0 | 0 | 109 | F18 N19 L26 L43 V68 P69 A70 S75 S76 L78 | F18-L73 HydrophobicContact CD2-CD1 4.19Å; F18-L73 WeakPolarHBondContact O-CD1 3.13Å; N19-L73 VanDerWaalsContact OD1-CA 3.23Å; N19-L73 WeakPolarHBondContact OD1-CA 3.36Å; L26-L73 HydrophobicContact CB-CD1 4.24Å; L26-L73 HydrophobicContact CB-CD2 4.16Å; L26-L73 HydrophobicContact CD2-CD1 4.14Å; L43-L73 HydrophobicContact CD2-CB 4.34Å; V68-L73 HydrophobicContact CB-CB 4.01Å; V68-L73 HydrophobicContact CB-CD2 4.32Å; V68-L73 HydrophobicContact CG1-CB 3.67Å; P69-L73 PolarHBondContact O-N 2.93Å; A70-L73 WeakPolarHBondContact CA-O 3.44Å; A70-L73 CarbonylContact O-C 3.58Å; L73-S75 VanDerWaalsContact C-N 3.28Å; L73-S75 WeakPolarHBondContact CG-OG 3.42Å; L73-S75 PolarHBondContact O-N 3.32Å; L73-S76 WeakPolarHBondContact O-CA 3.44Å; L73-S76 PolarHBondContact O-N 3.25Å; L73-L78 HydrophobicContact CD2-CB 3.98Å | ||
| 74 | H | 91.5 | Very high | 92.3 | Very high | 101 Ų | 101 | 37.1 Ų | 37.1 | 47% | 0.468 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -42.2 | -170.3 | -178 | 86.9 | 0 | 0 | 0 | 112.3 | N19 A21 A70 S76 | N19-H74 WeakPolarHBondContact OD1-CB 3.08Å; N19-H74 PolarHBondContact OD1-N 3.15Å; A21-H74 VanDerWaalsContact CA-CD2 3.45Å; A21-H74 WeakPolarHBondContact CA-CD2 3.48Å; A70-H74 WeakPolarHBondContact O-CA 3.36Å; H74-S76 PolarHBondContact O-N 3.23Å |
| 75 | S | 89.7 | Confident | 92.3 | Very high | 20 Ų | 20 | 37.3 Ų | 37.3 | 14% | 0.14 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -18 | 177.7 | 64.3 | 0 | 0 | 0 | 0 | 114 | Y23 D24 L73 R77 | Y23-S75 WeakPolarHBondContact O-CB 3.43Å; D24-S75 VanDerWaalsContact C-CB 3.45Å; L73-S75 VanDerWaalsContact C-N 3.28Å; L73-S75 WeakPolarHBondContact CG-OG 3.42Å; L73-S75 PolarHBondContact O-N 3.32Å; S75-R77 WeakPolarHBondContact O-CG 3.33Å; S75-R77 PolarHBondContact O-N 3.48Å; S75-R77 PolarHBondContact OG-N 3.23Å |
| 76 | S | 90.6 | Very high | 92.3 | Very high | 43 Ų | 43 | 34.5 Ų | 34.5 | 30% | 0.301 | 20% | 0.201 | S | C | . | . | trans | 55 | 12.2 | -170.4 | -56.7 | 0 | 0 | 0 | 0 | 115.5 | V68 A70 L73 H74 | V68-S76 PolarHBondContact N-O 3.29Å; V68-S76 WeakPolarHBondContact O-CA 3.4Å; V68-S76 WeakPolarHBondContact O-CB 3.35Å; V68-S76 PolarHBondContact O-OG 3.39Å; A70-S76 WeakPolarHBondContact CA-OG 3.43Å; A70-S76 WeakPolarHBondContact CB-OG 3.34Å; A70-S76 PolarHBondContact N-OG 3.04Å; L73-S76 WeakPolarHBondContact O-CA 3.44Å; L73-S76 PolarHBondContact O-N 3.25Å; H74-S76 PolarHBondContact O-N 3.23Å | ||
| 77 | R | 90.1 | Very high | 92.3 | Very high | 91 Ų | 91 | 40 Ų | 40 | 34% | 0.343 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 94.7 | -171.3 | -69.5 | 168.7 | -175.1 | 172.1 | 2.7 | 109.6 | D24 G25 L26 L65 S75 M134 | D24-R77 WeakPolarHBondContact O-CD 3.13Å; G25-R77 WeakPolarHBondContact CA-O 3.49Å; L26-R77 PolarHBondContact N-O 3.36Å; L65-R77 HydrophobicContact CD1-CB 4.25Å; S75-R77 WeakPolarHBondContact O-CG 3.33Å; S75-R77 PolarHBondContact O-N 3.48Å; S75-R77 PolarHBondContact OG-N 3.23Å; R77-M134 HydrophobicContact CB-SD 4.39Å |
| 78 | L | 93 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 124.4 | 169.2 | 174.3 | 59.3 | 0 | 0 | 0 | 108.6 | L26 V28 L43 L47 L65 I66 V68 L73 | L26-L78 HydrophobicContact CB-CD1 4.36Å; L26-L78 HydrophobicContact CD2-CD1 4.12Å; L26-L78 HydrophobicContact CG-CD1 4.05Å; V28-L78 HydrophobicContact CB-CD1 4.18Å; V28-L78 HydrophobicContact CG2-CD1 3.52Å; L43-L78 HydrophobicContact CB-CD2 4.48Å; L43-L78 HydrophobicContact CD1-CD1 4.47Å; L47-L78 HydrophobicContact CD2-CD2 3.75Å; L47-L78 HydrophobicContact CG-CD2 4.11Å; L65-L78 CarbonylContact C-O 3.58Å; I66-L78 HydrophobicContact CB-CB 4.48Å; I66-L78 PolarHBondContact N-O 2.81Å; I66-L78 WeakPolarHBondContact O-CB 3.24Å; I66-L78 PolarHBondContact O-N 3.31Å; V68-L78 HydrophobicContact CG2-CB 3.77Å; V68-L78 HydrophobicContact CG2-CD2 3.95Å; L73-L78 HydrophobicContact CD2-CB 3.98Å |
| 79 | I | 93.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 118.5 | 165.7 | -60.1 | -167.9 | 0 | 0 | 0 | 107.6 | L26 L27 V28 V63 R64 L65 R106 F107 I110 M134 | L26-I79 PolarHBondContact O-N 3.25Å; L27-I79 CarbonylContact C-O 3.5Å; L27-I79 WeakPolarHBondContact CA-O 3.27Å; L27-I79 HydrophobicContact CD1-CB 4.23Å; L27-I79 HydrophobicContact CD1-CG2 3.94Å; V28-I79 PolarHBondContact N-O 3.18Å; V63-I79 HydrophobicContact CG2-CG2 3.44Å; V63-I79 VanDerWaalsContact CG2-CG2 3.44Å; R64-I79 CarbonylContact O-C 3.56Å; R64-I79 VanDerWaalsContact O-CA 3.27Å; R64-I79 WeakPolarHBondContact O-CA 3.48Å; L65-I79 HydrophobicContact CD1-CD1 4.37Å; L65-I79 HydrophobicContact CD1-CG1 3.76Å; I79-R106 HydrophobicContact CD1-CB 4.32Å; I79-R106 HydrophobicContact CD1-CG 4.02Å; I79-F107 HydrophobicContact CB-CD2 4.28Å; I79-F107 HydrophobicContact CB-CE2 3.46Å; I79-F107 VanDerWaalsContact CB-CE2 3.46Å; I79-F107 HydrophobicContact CB-CZ 3.77Å; I79-F107 HydrophobicContact CD1-CD1 4.08Å; I79-F107 HydrophobicContact CD1-CD2 3.58Å; I79-F107 HydrophobicContact CD1-CE1 3.99Å; I79-F107 HydrophobicContact CD1-CE2 3.48Å; I79-F107 VanDerWaalsContact CD1-CE2 3.48Å; I79-F107 HydrophobicContact CD1-CG 3.82Å; I79-F107 HydrophobicContact CD1-CZ 3.67Å; I79-F107 HydrophobicContact CG1-CD2 4.25Å; I79-F107 HydrophobicContact CG1-CE1 4.22Å; I79-F107 HydrophobicContact CG1-CE2 3.62Å; I79-F107 HydrophobicContact CG1-CZ 3.58Å; I79-F107 HydrophobicContact CG2-CE2 4.14Å; I79-I110 HydrophobicContact CD1-CD1 3.66Å; I79-M134 HydrophobicContact CD1-CE 4.32Å |
| 80 | F | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 128.9 | 170.5 | -170.9 | -91.1 | 0 | 0 | 0 | 108.9 | V28 A30 L47 F51 L58 V63 R64 I66 A82 | V28-F80 HydrophobicContact CB-CD2 4.1Å; V28-F80 HydrophobicContact CG1-CD2 3.72Å; V28-F80 HydrophobicContact CG1-CE2 3.84Å; A30-F80 HydrophobicContact CB-CE2 4.01Å; A30-F80 HydrophobicContact CB-CZ 4.09Å; L47-F80 HydrophobicContact CD1-CD2 4.16Å; L47-F80 HydrophobicContact CD1-CE2 4.37Å; L47-F80 HydrophobicContact CD2-CB 4Å; L47-F80 HydrophobicContact CD2-CD2 3.75Å; L47-F80 HydrophobicContact CD2-CG 4.05Å; F51-F80 AromaticContact CE1-CD1 3.98Å; F51-F80 HydrophobicContact CE1-CD1 3.98Å; F51-F80 HydrophobicContact CE1-CE1 4.15Å; F51-F80 HydrophobicContact CE1-CG 4.39Å; F51-F80 HydrophobicContact CE2-CE1 4.36Å; F51-F80 HydrophobicContact CE2-CZ 4.19Å; F51-F80 AromaticContact CZ-CD1 3.65Å; F51-F80 HydrophobicContact CZ-CD1 3.65Å; F51-F80 HydrophobicContact CZ-CD2 4.08Å; F51-F80 AromaticContact CZ-CE1 3.51Å; F51-F80 HydrophobicContact CZ-CE1 3.51Å; F51-F80 AromaticContact CZ-CE2 3.95Å; F51-F80 HydrophobicContact CZ-CE2 3.95Å; F51-F80 AromaticContact CZ-CG 3.93Å; F51-F80 HydrophobicContact CZ-CG 3.93Å; F51-F80 AromaticContact CZ-CZ 3.67Å; F51-F80 HydrophobicContact CZ-CZ 3.67Å; L58-F80 HydrophobicContact CD2-CE1 3.92Å; L58-F80 HydrophobicContact CD2-CZ 4.21Å; V63-F80 CarbonylContact C-O 3.58Å; V63-F80 WeakPolarHBondContact CA-O 3.42Å; R64-F80 PolarHBondContact N-O 2.94Å; R64-F80 PolarHBondContact O-N 3.37Å; I66-F80 HydrophobicContact CD1-CB 3.99Å; F80-A82 HydrophobicContact CD1-CB 4.48Å; F80-A82 HydrophobicContact CE1-CB 3.92Å |
| 81 | S | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 115.2 | 177.3 | -160 | 0 | 0 | 0 | 0 | 109.7 | V28 V29 A30 A99 G103 | V28-S81 PolarHBondContact O-N 3.31Å; V29-S81 WeakPolarHBondContact CA-O 3.4Å; A30-S81 PolarHBondContact N-O 3.04Å; S81-A99 VanDerWaalsContact CB-O 3.3Å; S81-A99 WeakPolarHBondContact CB-O 3.38Å; S81-A99 PolarHBondContact OG-O 3.43Å; S81-G103 PolarHBondContact OG-N 2.7Å |
| 82 | A | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 137.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A30 A57 S62 F80 G84 | A30-A82 WeakPolarHBondContact O-CA 3.07Å; A57-A82 WeakPolarHBondContact O-CB 3.39Å; S62-A82 PolarHBondContact O-N 2.94Å; S62-A82 VanDerWaalsContact OG-CB 3.31Å; S62-A82 WeakPolarHBondContact OG-CB 3.44Å; F80-A82 HydrophobicContact CD1-CB 4.48Å; F80-A82 HydrophobicContact CE1-CB 3.92Å; A82-G84 PolarHBondContact O-N 3.14Å |
| 83 | T | 94.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | trans | -77.9 | -11.2 | 171.5 | 57.2 | 0 | 0 | 0 | 0 | 113 | V29 A30 S31 F96 A99 | V29-T83 HydrophobicContact CG1-CG2 3.89Å; A30-T83 PolarHBondContact O-N 3.13Å; A30-T83 PolarHBondContact O-OG1 3.06Å; S31-T83 WeakPolarHBondContact CA-OG1 3.43Å; S31-T83 WeakPolarHBondContact CB-OG1 3.47Å; S31-T83 PolarHBondContact N-OG1 2.99Å; T83-F96 HydrophobicContact CG2-CD1 3.67Å; T83-F96 HydrophobicContact CG2-CE1 3.87Å; T83-F96 HydrophobicContact CG2-CG 4.03Å; T83-F96 HydrophobicContact CG2-CZ 4.37Å; T83-A99 HydrophobicContact CG2-CB 3.96Å | ||
| 84 | G | 93.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | 81.1 | -176.7 | -162.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S31 L58 A82 L86 | S31-G84 VanDerWaalsContact CB-O 3.26Å; S31-G84 WeakPolarHBondContact CB-O 3.5Å; L58-G84 VanDerWaalsContact O-CA 3.32Å; L58-G84 WeakPolarHBondContact O-CA 3.34Å; A82-G84 PolarHBondContact O-N 3.14Å; G84-L86 VanDerWaalsContact C-N 3.3Å; G84-L86 PolarHBondContact O-N 3.5Å | ||
| 85 | P | 91.1 | Very high | 92.9 | Very high | 65 Ų | 65 | 43.9 Ų | 43.9 | 42% | 0.422 | 22% | 0.219 | S | C | . | . | trans | -73.1 | -12.7 | -166.5 | 29.3 | -37.6 | 0 | 0 | 0 | 115.4 | T87 | P85-T87 WeakPolarHBondContact O-CG2 3.28Å; P85-T87 PolarHBondContact O-N 3.27Å | ||
| 86 | L | 92.2 | Very high | 93.2 | Very high | 10 Ų | 10 | 42.9 Ų | 42.9 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 54.2 | 16.2 | 178.8 | -61.9 | -177.7 | 0 | 0 | 0 | 116.3 | G84 D91 R95 F96 Y147 | G84-L86 VanDerWaalsContact C-N 3.3Å; G84-L86 PolarHBondContact O-N 3.5Å; L86-D91 WeakPolarHBondContact CA-OD2 3.18Å; L86-D91 HydrophobicContact CD2-CB 4.42Å; L86-R95 HydrophobicContact CD2-CB 3.77Å; L86-R95 HydrophobicContact CD2-CG 3.98Å; L86-F96 HydrophobicContact CD1-CE1 4.36Å; L86-F96 HydrophobicContact CD1-CE2 3.63Å; L86-F96 HydrophobicContact CD1-CZ 3.37Å; L86-F96 HydrophobicContact CD2-CE2 4.11Å; L86-Y147 HydrophobicContact CB-CE2 4Å; L86-Y147 HydrophobicContact CD1-CD2 4.08Å; L86-Y147 HydrophobicContact CD1-CE2 4.05Å; L86-Y147 HydrophobicContact CD2-CE2 4.07Å; L86-Y147 HydrophobicContact CG-CE2 4.27Å |
| 87 | T | 90.8 | Very high | 93.4 | Very high | 119 Ų | 119 | 42 Ų | 42 | 73% | 0.73 | 20% | 0.203 | S | C | * | . | trans | -105.2 | 3.6 | -177.4 | 48.5 | 0 | 0 | 0 | 0 | 113.5 | P85 | P85-T87 WeakPolarHBondContact O-CG2 3.28Å; P85-T87 PolarHBondContact O-N 3.27Å | ||
| 88 | R | 92.1 | Very high | 93.6 | Very high | 81 Ų | 81 | 41.3 Ų | 41.3 | 31% | 0.306 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -96.9 | 145.1 | -175.1 | -55.1 | 163.3 | -63.6 | -169.5 | -1.4 | 109.6 | F90 D91 | R88-F90 HydrophobicContact CB-CD1 4.04Å; R88-F90 HydrophobicContact CB-CE1 3.69Å; R88-F90 HydrophobicContact CB-CE2 4.3Å; R88-F90 HydrophobicContact CB-CZ 3.86Å; R88-F90 VanDerWaalsContact CD-CZ 3.5Å; R88-F90 HydrophobicContact CG-CE1 4.32Å; R88-F90 HydrophobicContact CG-CZ 4.23Å; R88-F90 PolarHBondContact O-N 3.18Å; R88-D91 WeakPolarHBondContact CB-OD2 3.4Å; R88-D91 IonicContact CZ-OD1 3.54Å; R88-D91 IonicContact CZ-OD2 3.7Å; R88-D91 PolarHBondContact N-OD2 3.07Å; R88-D91 IonicContact NE-OD1 3.18Å; R88-D91 PolarHBondContact NE-OD1 3.3Å; R88-D91 IonicContact NE-OD2 3.08Å; R88-D91 PolarHBondContact NE-OD2 3.04Å; R88-D91 IonicContact NH2-OD1 2.98Å; R88-D91 PolarHBondContact NH2-OD1 3.25Å; R88-D91 IonicContact NH2-OD2 3.28Å; R88-D91 PolarHBondContact NH2-OD2 3.44Å; R88-D91 WeakPolarHBondContact O-CB 3.29Å; R88-D91 PolarHBondContact O-N 3.12Å |
| 89 | D | 93 | Very high | 93.8 | Very high | 178 Ų | 178 | 41.4 Ų | 41.4 | 95% | 0.952 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -18.5 | -175.1 | -63 | -19.8 | 0 | 0 | 0 | 115.1 | ||
| 90 | F | 91.8 | Very high | 93.9 | Very high | 125 Ų | 125 | 41.4 Ų | 41.4 | 55% | 0.548 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 0.3 | -179.6 | 61.6 | -101.2 | 0 | 0 | 0 | 113.9 | R88 | R88-F90 HydrophobicContact CB-CD1 4.04Å; R88-F90 HydrophobicContact CB-CE1 3.69Å; R88-F90 HydrophobicContact CB-CE2 4.3Å; R88-F90 HydrophobicContact CB-CZ 3.86Å; R88-F90 VanDerWaalsContact CD-CZ 3.5Å; R88-F90 HydrophobicContact CG-CE1 4.32Å; R88-F90 HydrophobicContact CG-CZ 4.23Å; R88-F90 PolarHBondContact O-N 3.18Å |
| 91 | D | 94.1 | Very high | 94 | Very high | 14 Ų | 14 | 43.4 Ų | 43.4 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | trans | -73.9 | 130.1 | 178.8 | -75.1 | -39.6 | 0 | 0 | 0 | 110.8 | L86 R88 R95 Y147 | L86-D91 WeakPolarHBondContact CA-OD2 3.18Å; L86-D91 HydrophobicContact CD2-CB 4.42Å; R88-D91 WeakPolarHBondContact CB-OD2 3.4Å; R88-D91 IonicContact CZ-OD1 3.54Å; R88-D91 IonicContact CZ-OD2 3.7Å; R88-D91 PolarHBondContact N-OD2 3.07Å; R88-D91 IonicContact NE-OD1 3.18Å; R88-D91 PolarHBondContact NE-OD1 3.3Å; R88-D91 IonicContact NE-OD2 3.08Å; R88-D91 PolarHBondContact NE-OD2 3.04Å; R88-D91 IonicContact NH2-OD1 2.98Å; R88-D91 PolarHBondContact NH2-OD1 3.25Å; R88-D91 IonicContact NH2-OD2 3.28Å; R88-D91 PolarHBondContact NH2-OD2 3.44Å; R88-D91 WeakPolarHBondContact O-CB 3.29Å; R88-D91 PolarHBondContact O-N 3.12Å; D91-R95 HydrophobicContact CB-CG 4.42Å; D91-R95 IonicContact OD1-CZ 2.89Å; D91-R95 IonicContact OD1-NE 3.77Å; D91-R95 PolarHBondContact OD1-NE 2.93Å; D91-R95 IonicContact OD1-NH2 3.57Å; D91-Y147 WeakPolarHBondContact CB-OH 3.28Å; D91-Y147 PolarHBondContact O-OH 3.17Å | ||
| 92 | D | 93.4 | Very high | 93.9 | Very high | 28 Ų | 28 | 46.3 Ų | 46.3 | 15% | 0.15 | 23% | 0.229 | C | C | . | . | trans | -137.6 | -178.4 | 179.6 | 66.2 | 40.2 | 0 | 0 | 0 | 111.6 | R94 R95 | D92-R94 VanDerWaalsContact CG-NE 3.34Å; D92-R94 PolarHBondContact O-N 3.33Å; D92-R94 WeakPolarHBondContact OD1-CA 3.39Å; D92-R94 WeakPolarHBondContact OD1-CB 3.34Å; D92-R94 WeakPolarHBondContact OD1-CG 3.43Å; D92-R94 IonicContact OD1-CZ 3.35Å; D92-R94 PolarHBondContact OD1-N 2.81Å; D92-R94 IonicContact OD1-NE 2.74Å; D92-R94 PolarHBondContact OD1-NE 2.88Å; D92-R94 IonicContact OD1-NH2 2.88Å; D92-R94 IonicContact OD2-CZ 2.6Å; D92-R94 IonicContact OD2-NE 3.43Å; D92-R94 PolarHBondContact OD2-NE 3.07Å; D92-R94 IonicContact OD2-NH2 3.74Å; D92-R94 PolarHBondContact OD2-NH2 3.44Å; D92-R95 WeakPolarHBondContact O-CB 3.33Å; D92-R95 WeakPolarHBondContact O-CG 3.44Å; D92-R95 PolarHBondContact O-N 3.39Å | ||
| 93 | E | 93 | Very high | 93.8 | Very high | 25 Ų | 25 | 46.3 Ų | 46.3 | 12% | 0.117 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -23.4 | -179.1 | -69.3 | 82.3 | 171 | 0 | 0 | 113.5 | R95 F96 K97 Y147 T149 V153 V446 A449 | E93-R95 PolarHBondContact O-N 2.9Å; E93-F96 PolarHBondContact O-N 2.76Å; E93-K97 PolarHBondContact O-N 2.74Å; E93-Y147 HydrophobicContact CG-CD1 4.48Å; E93-T149 WeakPolarHBondContact CG-OG1 3.19Å; E93-V153 HydrophobicContact CB-CG1 4.34Å; E93-V153 HydrophobicContact CB-CG2 4.25Å; E93-V153 WeakPolarHBondContact O-CG2 3.47Å; E93-V446 WeakPolarHBondContact OE2-CG1 3.26Å; E93-A449 HydrophobicContact CB-CB 4.3Å |
| 94 | R | 94.1 | Very high | 93.7 | Very high | 64 Ų | 64 | 46.3 Ų | 46.3 | 24% | 0.242 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.6 | -27.4 | 177 | -62.5 | 175.4 | -71.5 | 174.3 | -3.7 | 112.1 | D92 F96 K97 E98 Y423 A449 I451 | D92-R94 VanDerWaalsContact CG-NE 3.34Å; D92-R94 PolarHBondContact O-N 3.33Å; D92-R94 WeakPolarHBondContact OD1-CA 3.39Å; D92-R94 WeakPolarHBondContact OD1-CB 3.34Å; D92-R94 WeakPolarHBondContact OD1-CG 3.43Å; D92-R94 IonicContact OD1-CZ 3.35Å; D92-R94 PolarHBondContact OD1-N 2.81Å; D92-R94 IonicContact OD1-NE 2.74Å; D92-R94 PolarHBondContact OD1-NE 2.88Å; D92-R94 IonicContact OD1-NH2 2.88Å; D92-R94 IonicContact OD2-CZ 2.6Å; D92-R94 IonicContact OD2-NE 3.43Å; D92-R94 PolarHBondContact OD2-NE 3.07Å; D92-R94 IonicContact OD2-NH2 3.74Å; D92-R94 PolarHBondContact OD2-NH2 3.44Å; R94-F96 VanDerWaalsContact C-N 3.25Å; R94-F96 PolarHBondContact O-N 3.11Å; R94-K97 PolarHBondContact O-N 2.81Å; R94-K97 VanDerWaalsContact O-N 3.12Å; R94-E98 WeakPolarHBondContact O-CB 3.49Å; R94-E98 VanDerWaalsContact O-CG 3.24Å; R94-E98 WeakPolarHBondContact O-CG 3.29Å; R94-E98 PolarHBondContact O-N 2.84Å; R94-Y423 PolarHBondContact NH1-OH 3.43Å; R94-Y423 PolarHBondContact NH2-OH 3.09Å; R94-A449 HydrophobicContact CG-CB 3.8Å; R94-I451 HydrophobicContact CG-CD1 4.35Å |
| 95 | R | 95.4 | Very high | 93.6 | Very high | 57 Ų | 57 | 48.4 Ų | 48.4 | 22% | 0.215 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.8 | -40.4 | 176.4 | -67.8 | -65.3 | 177.6 | -149.7 | -7 | 112.5 | L86 D91 D92 E93 E98 A99 | L86-R95 HydrophobicContact CD2-CB 3.77Å; L86-R95 HydrophobicContact CD2-CG 3.98Å; D91-R95 HydrophobicContact CB-CG 4.42Å; D91-R95 IonicContact OD1-CZ 2.89Å; D91-R95 IonicContact OD1-NE 3.77Å; D91-R95 PolarHBondContact OD1-NE 2.93Å; D91-R95 IonicContact OD1-NH2 3.57Å; D92-R95 WeakPolarHBondContact O-CB 3.33Å; D92-R95 WeakPolarHBondContact O-CG 3.44Å; D92-R95 PolarHBondContact O-N 3.39Å; E93-R95 PolarHBondContact O-N 2.9Å; R95-E98 IonicContact NH1-OE2 3.92Å; R95-E98 PolarHBondContact NH1-OE2 2.78Å; R95-A99 WeakPolarHBondContact O-CB 3.1Å; R95-A99 PolarHBondContact O-N 2.91Å |
| 96 | F | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.2 | -39.1 | 177.1 | -72.5 | -86.5 | 0 | 0 | 0 | 112.4 | V29 T83 L86 E93 R94 A100 H144 Y147 A150 V153 S154 | V29-F96 HydrophobicContact CG1-CD1 4.35Å; T83-F96 HydrophobicContact CG2-CD1 3.67Å; T83-F96 HydrophobicContact CG2-CE1 3.87Å; T83-F96 HydrophobicContact CG2-CG 4.03Å; T83-F96 HydrophobicContact CG2-CZ 4.37Å; L86-F96 HydrophobicContact CD1-CE1 4.36Å; L86-F96 HydrophobicContact CD1-CE2 3.63Å; L86-F96 HydrophobicContact CD1-CZ 3.37Å; L86-F96 HydrophobicContact CD2-CE2 4.11Å; E93-F96 PolarHBondContact O-N 2.76Å; R94-F96 VanDerWaalsContact C-N 3.25Å; R94-F96 PolarHBondContact O-N 3.11Å; F96-A100 WeakPolarHBondContact O-CB 3.39Å; F96-A100 PolarHBondContact O-N 2.9Å; F96-H144 HydrophobicContact CZ-CB 3.84Å; F96-Y147 HydrophobicContact CD2-CG 4.36Å; F96-Y147 HydrophobicContact CE2-CD1 4.42Å; F96-Y147 AromaticContact CE2-CD2 3.56Å; F96-Y147 HydrophobicContact CE2-CD2 3.56Å; F96-Y147 HydrophobicContact CE2-CE2 4.38Å; F96-Y147 AromaticContact CE2-CG 3.6Å; F96-Y147 HydrophobicContact CE2-CG 3.6Å; F96-Y147 HydrophobicContact CZ-CD2 4.11Å; F96-Y147 HydrophobicContact CZ-CG 4.4Å; F96-A150 HydrophobicContact CB-CB 4.29Å; F96-A150 HydrophobicContact CD1-CB 3.43Å; F96-A150 VanDerWaalsContact CD1-CB 3.43Å; F96-A150 HydrophobicContact CD2-CB 3.83Å; F96-A150 HydrophobicContact CE1-CB 3.53Å; F96-A150 HydrophobicContact CE2-CB 3.94Å; F96-A150 HydrophobicContact CG-CB 3.57Å; F96-A150 HydrophobicContact CZ-CB 3.79Å; F96-V153 HydrophobicContact CB-CG2 3.72Å; F96-S154 WeakPolarHBondContact CB-OG 3.48Å; F96-S154 PolarHBondContact O-OG 3.34Å |
| 97 | K | 95.4 | Very high | 93.1 | Very high | 25 Ų | 25 | 49.3 Ų | 49.3 | 11% | 0.109 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.9 | -50.6 | 175.3 | -177.1 | -179.5 | 173.6 | -174.3 | 0 | 111.6 | E93 R94 A100 E101 V153 A449 | E93-K97 PolarHBondContact O-N 2.74Å; R94-K97 PolarHBondContact O-N 2.81Å; R94-K97 VanDerWaalsContact O-N 3.12Å; K97-A100 PolarHBondContact O-N 3.19Å; K97-E101 VanDerWaalsContact CE-OE1 3.28Å; K97-E101 WeakPolarHBondContact CE-OE1 3.46Å; K97-E101 WeakPolarHBondContact O-CG 3.27Å; K97-E101 PolarHBondContact O-N 2.71Å; K97-V153 HydrophobicContact CB-CB 4.33Å; K97-A449 HydrophobicContact CB-CB 4.31Å; K97-A449 HydrophobicContact CD-CB 3.75Å; K97-A449 PolarHBondContact NZ-O 3.22Å |
| 98 | E | 95.1 | Very high | 92.5 | Very high | 75 Ų | 75 | 45.2 Ų | 45.2 | 35% | 0.35 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.6 | -46.9 | 178.8 | -71.5 | 168.4 | -176 | 0 | 0 | 111.3 | R94 R95 A100 E101 I102 | R94-E98 WeakPolarHBondContact O-CB 3.49Å; R94-E98 VanDerWaalsContact O-CG 3.24Å; R94-E98 WeakPolarHBondContact O-CG 3.29Å; R94-E98 PolarHBondContact O-N 2.84Å; R95-E98 IonicContact NH1-OE2 3.92Å; R95-E98 PolarHBondContact NH1-OE2 2.78Å; E98-A100 VanDerWaalsContact C-N 3.32Å; E98-A100 PolarHBondContact O-N 2.87Å; E98-E101 PolarHBondContact O-N 2.91Å; E98-I102 VanDerWaalsContact O-CG1 3.3Å; E98-I102 WeakPolarHBondContact O-CG1 3.44Å; E98-I102 PolarHBondContact O-N 3.21Å |
| 99 | A | 96.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 3% | 0.025 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.9 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V29 S81 T83 R95 G103 | V29-A99 HydrophobicContact CG1-CB 3.73Å; S81-A99 VanDerWaalsContact CB-O 3.3Å; S81-A99 WeakPolarHBondContact CB-O 3.38Å; S81-A99 PolarHBondContact OG-O 3.43Å; T83-A99 HydrophobicContact CG2-CB 3.96Å; R95-A99 WeakPolarHBondContact O-CB 3.1Å; R95-A99 PolarHBondContact O-N 2.91Å; A99-G103 PolarHBondContact O-N 3.41Å |
| 100 | A | 96.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66 | -39.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | V29 F96 K97 E98 M104 S154 A158 | V29-A100 HydrophobicContact CG2-CB 3.96Å; F96-A100 WeakPolarHBondContact O-CB 3.39Å; F96-A100 PolarHBondContact O-N 2.9Å; K97-A100 PolarHBondContact O-N 3.19Å; E98-A100 VanDerWaalsContact C-N 3.32Å; E98-A100 PolarHBondContact O-N 2.87Å; A100-M104 WeakPolarHBondContact O-CB 3.38Å; A100-M104 PolarHBondContact O-N 2.89Å; A100-S154 WeakPolarHBondContact CB-O 3.34Å; A100-A158 HydrophobicContact CB-CB 4.42Å |
| 101 | E | 94.8 | Very high | 89.1 | Confident | 42 Ų | 42 | 31.5 Ų | 31.5 | 20% | 0.196 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.6 | -47 | 176.2 | -75.5 | 176.6 | -170.6 | 0 | 0 | 111.8 | K97 E98 S105 G157 Q160 T161 | K97-E101 VanDerWaalsContact CE-OE1 3.28Å; K97-E101 WeakPolarHBondContact CE-OE1 3.46Å; K97-E101 WeakPolarHBondContact O-CG 3.27Å; K97-E101 PolarHBondContact O-N 2.71Å; E98-E101 PolarHBondContact O-N 2.91Å; E101-S105 VanDerWaalsContact O-CB 3.26Å; E101-S105 WeakPolarHBondContact O-CB 3.45Å; E101-S105 PolarHBondContact O-N 3.4Å; E101-S105 PolarHBondContact O-OG 3.49Å; E101-G157 VanDerWaalsContact CG-O 3.26Å; E101-G157 WeakPolarHBondContact CG-O 3.5Å; E101-Q160 VanDerWaalsContact CD-NE2 3.29Å; E101-Q160 PolarHBondContact OE1-NE2 2.97Å; E101-Q160 PolarHBondContact OE1-OE1 2.94Å; E101-T161 WeakPolarHBondContact CA-OG1 3.29Å; E101-T161 PolarHBondContact O-OG1 3.1Å |
| 102 | I | 93.6 | Very high | 87 | Confident | 61 Ų | 61 | 33.7 Ų | 33.7 | 31% | 0.313 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -66.6 | -45.6 | 178.7 | -64.7 | 166.6 | 0 | 0 | 0 | 110.4 | V63 E98 S105 R106 | V63-I102 HydrophobicContact CB-CG2 3.89Å; V63-I102 HydrophobicContact CG1-CG2 3.72Å; E98-I102 VanDerWaalsContact O-CG1 3.3Å; E98-I102 WeakPolarHBondContact O-CG1 3.44Å; E98-I102 PolarHBondContact O-N 3.21Å; I102-S105 WeakPolarHBondContact O-CB 3.29Å; I102-S105 PolarHBondContact O-N 2.75Å; I102-R106 PolarHBondContact O-N 3.22Å |
| 103 | G | 93.5 | Very high | 85 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.1 | -49.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S81 A99 S105 R106 F107 | S81-G103 PolarHBondContact OG-N 2.7Å; A99-G103 PolarHBondContact O-N 3.41Å; G103-S105 VanDerWaalsContact C-N 3.35Å; G103-S105 PolarHBondContact O-N 2.93Å; G103-R106 WeakPolarHBondContact O-CB 3.22Å; G103-R106 PolarHBondContact O-N 3.28Å; G103-F107 WeakPolarHBondContact O-CD2 3.42Å; G103-F107 PolarHBondContact O-N 2.55Å; G103-F107 VanDerWaalsContact O-N 3.12Å |
| 104 | M | 93.6 | Very high | 82.9 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.2 | -37.1 | 177.9 | -171.1 | 56.3 | 70.6 | 0 | 0 | 112 | L27 A100 R106 F107 V108 I137 A158 T161 L162 L182 | L27-M104 HydrophobicContact CD2-CB 4.26Å; L27-M104 HydrophobicContact CD2-CE 3.99Å; A100-M104 WeakPolarHBondContact O-CB 3.38Å; A100-M104 PolarHBondContact O-N 2.89Å; M104-R106 VanDerWaalsContact C-N 3.26Å; M104-R106 PolarHBondContact O-N 3.28Å; M104-F107 WeakPolarHBondContact O-CB 3.37Å; M104-F107 PolarHBondContact O-N 3.09Å; M104-F107 HydrophobicContact SD-CB 4.23Å; M104-V108 WeakPolarHBondContact O-CG2 3.49Å; M104-V108 PolarHBondContact O-N 3.4Å; M104-I137 HydrophobicContact CE-CD1 4.24Å; M104-I137 HydrophobicContact CE-CG2 4.08Å; M104-I137 HydrophobicContact SD-CD1 3.53Å; M104-I137 VanDerWaalsContact SD-CD1 3.53Å; M104-A158 HydrophobicContact CB-CB 4.37Å; M104-A158 HydrophobicContact CE-CB 3.76Å; M104-A158 HydrophobicContact CG-CB 4.45Å; M104-T161 HydrophobicContact CB-CG2 3.98Å; M104-T161 HydrophobicContact CG-CG2 3.91Å; M104-L162 HydrophobicContact CE-CD1 4.34Å; M104-L162 HydrophobicContact CG-CD1 4.41Å; M104-L162 HydrophobicContact CG-CD2 3.97Å; M104-L162 HydrophobicContact CG-CG 3.93Å; M104-L162 HydrophobicContact SD-CD1 4.22Å; M104-L162 HydrophobicContact SD-CD2 3.87Å; M104-L162 HydrophobicContact SD-CG 4.16Å; M104-L182 HydrophobicContact CE-CD1 3.62Å |
| 105 | S | 89.9 | Confident | 80.4 | Confident | 45 Ų | 45 | 42 Ų | 42 | 32% | 0.315 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.1 | -39 | 174 | -65.6 | 0 | 0 | 0 | 0 | 110.8 | E101 I102 G103 V108 I109 T161 | E101-S105 VanDerWaalsContact O-CB 3.26Å; E101-S105 WeakPolarHBondContact O-CB 3.45Å; E101-S105 PolarHBondContact O-N 3.4Å; E101-S105 PolarHBondContact O-OG 3.49Å; I102-S105 WeakPolarHBondContact O-CB 3.29Å; I102-S105 PolarHBondContact O-N 2.75Å; G103-S105 VanDerWaalsContact C-N 3.35Å; G103-S105 PolarHBondContact O-N 2.93Å; S105-V108 PolarHBondContact O-N 2.93Å; S105-I109 WeakPolarHBondContact O-CB 3.42Å; S105-I109 VanDerWaalsContact O-CG1 3.29Å; S105-I109 WeakPolarHBondContact O-CG1 3.11Å; S105-I109 PolarHBondContact O-N 3.43Å; S105-T161 VanDerWaalsContact OG-CG2 3.22Å; S105-T161 WeakPolarHBondContact OG-CG2 3.43Å |
| 106 | R | 88.1 | Confident | 78.2 | Confident | 92 Ų | 92 | 45 Ų | 45 | 35% | 0.347 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.4 | -40 | 175.5 | -171.2 | 63.5 | 179 | 179.2 | 1.6 | 112.2 | V63 I79 I102 G103 M104 V108 I109 I110 | V63-R106 HydrophobicContact CG1-CB 4.32Å; V63-R106 HydrophobicContact CG1-CG 4.39Å; V63-R106 HydrophobicContact CG2-CB 3.79Å; V63-R106 HydrophobicContact CG2-CG 3.98Å; I79-R106 HydrophobicContact CD1-CB 4.32Å; I79-R106 HydrophobicContact CD1-CG 4.02Å; I102-R106 PolarHBondContact O-N 3.22Å; G103-R106 WeakPolarHBondContact O-CB 3.22Å; G103-R106 PolarHBondContact O-N 3.28Å; M104-R106 VanDerWaalsContact C-N 3.26Å; M104-R106 PolarHBondContact O-N 3.28Å; R106-V108 VanDerWaalsContact C-N 3.35Å; R106-V108 PolarHBondContact O-N 3.26Å; R106-I109 PolarHBondContact O-N 3.12Å; R106-I110 HydrophobicContact CG-CD1 3.84Å; R106-I110 HydrophobicContact CG-CG1 4.41Å; R106-I110 WeakPolarHBondContact O-CD1 3.48Å; R106-I110 VanDerWaalsContact O-CG1 3.29Å; R106-I110 WeakPolarHBondContact O-CG1 3.45Å; R106-I110 PolarHBondContact O-N 3.41Å |
| 107 | F | 85 | Confident | 75.9 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.5 | -50.4 | 171.2 | -89.4 | -82.9 | 0 | 0 | 0 | 111.6 | L27 I79 G103 M104 I109 A111 M134 I137 | L27-F107 HydrophobicContact CB-CD2 4.1Å; L27-F107 HydrophobicContact CB-CE2 3.33Å; L27-F107 HydrophobicContact CB-CZ 4.04Å; L27-F107 HydrophobicContact CD1-CD2 4.36Å; L27-F107 HydrophobicContact CD1-CE2 3.87Å; L27-F107 HydrophobicContact CD2-CD2 4.22Å; L27-F107 HydrophobicContact CD2-CE2 4.23Å; L27-F107 HydrophobicContact CG-CD2 4.43Å; L27-F107 HydrophobicContact CG-CE2 3.96Å; I79-F107 HydrophobicContact CB-CD2 4.28Å; I79-F107 HydrophobicContact CB-CE2 3.46Å; I79-F107 VanDerWaalsContact CB-CE2 3.46Å; I79-F107 HydrophobicContact CB-CZ 3.77Å; I79-F107 HydrophobicContact CD1-CD1 4.08Å; I79-F107 HydrophobicContact CD1-CD2 3.58Å; I79-F107 HydrophobicContact CD1-CE1 3.99Å; I79-F107 HydrophobicContact CD1-CE2 3.48Å; I79-F107 VanDerWaalsContact CD1-CE2 3.48Å; I79-F107 HydrophobicContact CD1-CG 3.82Å; I79-F107 HydrophobicContact CD1-CZ 3.67Å; I79-F107 HydrophobicContact CG1-CD2 4.25Å; I79-F107 HydrophobicContact CG1-CE1 4.22Å; I79-F107 HydrophobicContact CG1-CE2 3.62Å; I79-F107 HydrophobicContact CG1-CZ 3.58Å; I79-F107 HydrophobicContact CG2-CE2 4.14Å; G103-F107 WeakPolarHBondContact O-CD2 3.42Å; G103-F107 PolarHBondContact O-N 2.55Å; G103-F107 VanDerWaalsContact O-N 3.12Å; M104-F107 WeakPolarHBondContact O-CB 3.37Å; M104-F107 PolarHBondContact O-N 3.09Å; M104-F107 HydrophobicContact SD-CB 4.23Å; F107-I109 VanDerWaalsContact C-N 3.33Å; F107-I109 PolarHBondContact O-N 2.89Å; F107-A111 PolarHBondContact O-N 2.91Å; F107-M134 HydrophobicContact CB-CE 4.17Å; F107-M134 HydrophobicContact CD1-CB 4.15Å; F107-M134 HydrophobicContact CD1-CE 3.08Å; F107-M134 HydrophobicContact CD1-CG 4.39Å; F107-M134 HydrophobicContact CD1-SD 3.39Å; F107-M134 WeakPolarHBondContact CD1-SD 3.29Å; F107-M134 HydrophobicContact CE1-CE 3.55Å; F107-M134 HydrophobicContact CE1-SD 3.34Å; F107-M134 WeakPolarHBondContact CE1-SD 3.26Å; F107-M134 HydrophobicContact CG-CE 3.9Å; F107-I137 HydrophobicContact CB-CD1 3.77Å; F107-I137 HydrophobicContact CD1-CD1 3.84Å; F107-I137 HydrophobicContact CD1-CG1 3.92Å; F107-I137 HydrophobicContact CD1-CG2 4.17Å; F107-I137 HydrophobicContact CD2-CG2 4.36Å; F107-I137 HydrophobicContact CE1-CG1 4.43Å; F107-I137 HydrophobicContact CE1-CG2 4.13Å; F107-I137 HydrophobicContact CE2-CG2 4.3Å; F107-I137 HydrophobicContact CG-CD1 3.85Å; F107-I137 HydrophobicContact CG-CG1 4.39Å; F107-I137 HydrophobicContact CG-CG2 4.36Å; F107-I137 HydrophobicContact CZ-CG2 4.23Å |
| 108 | V | 79.6 | Confident | 73.6 | Confident | 33 Ų | 33 | 57.7 Ų | 57.7 | 20% | 0.2 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.3 | -31.3 | -179.1 | 177.8 | 0 | 0 | 0 | 0 | 111.9 | M104 S105 R106 A111 M112 L162 K178 | M104-V108 WeakPolarHBondContact O-CG2 3.49Å; M104-V108 PolarHBondContact O-N 3.4Å; S105-V108 PolarHBondContact O-N 2.93Å; R106-V108 VanDerWaalsContact C-N 3.35Å; R106-V108 PolarHBondContact O-N 3.26Å; V108-A111 VanDerWaalsContact O-CB 3.26Å; V108-A111 WeakPolarHBondContact O-CB 3.12Å; V108-M112 WeakPolarHBondContact O-CG 3.37Å; V108-L162 HydrophobicContact CG2-CD2 4.03Å; V108-K178 HydrophobicContact CG1-CD 4.32Å |
| 109 | I | 76.3 | Confident | 71 | Confident | 71 Ų | 71 | 60.6 Ų | 60.6 | 36% | 0.364 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -78.2 | -40.9 | 178.1 | -70.2 | 165.6 | 0 | 0 | 0 | 112.3 | S105 R106 F107 A111 M112 Q113 | S105-I109 WeakPolarHBondContact O-CB 3.42Å; S105-I109 VanDerWaalsContact O-CG1 3.29Å; S105-I109 WeakPolarHBondContact O-CG1 3.11Å; S105-I109 PolarHBondContact O-N 3.43Å; R106-I109 PolarHBondContact O-N 3.12Å; F107-I109 VanDerWaalsContact C-N 3.33Å; F107-I109 PolarHBondContact O-N 2.89Å; I109-A111 PolarHBondContact O-N 3.06Å; I109-M112 WeakPolarHBondContact O-CA 3.31Å; I109-M112 WeakPolarHBondContact O-CB 3.36Å; I109-M112 PolarHBondContact O-N 3.43Å; I109-Q113 PolarHBondContact O-N 3.37Å |
| 110 | I | 70.6 | Confident | 68.3 | Low | 16 Ų | 16 | 66 Ų | 66 | 8% | 0.082 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.9 | -33.7 | 176.7 | -71.9 | 162.8 | 0 | 0 | 0 | 110 | L65 I79 R106 M112 Q113 L114 M134 | L65-I110 HydrophobicContact CB-CD1 4.38Å; L65-I110 HydrophobicContact CD1-CD1 4.35Å; L65-I110 HydrophobicContact CD2-CD1 4.01Å; L65-I110 HydrophobicContact CG-CD1 4.49Å; I79-I110 HydrophobicContact CD1-CD1 3.66Å; R106-I110 HydrophobicContact CG-CD1 3.84Å; R106-I110 HydrophobicContact CG-CG1 4.41Å; R106-I110 WeakPolarHBondContact O-CD1 3.48Å; R106-I110 VanDerWaalsContact O-CG1 3.29Å; R106-I110 WeakPolarHBondContact O-CG1 3.45Å; R106-I110 PolarHBondContact O-N 3.41Å; I110-M112 VanDerWaalsContact C-N 3.25Å; I110-M112 PolarHBondContact O-N 3.19Å; I110-Q113 PolarHBondContact O-N 2.83Å; I110-L114 HydrophobicContact CG2-CD1 4.36Å; I110-L114 PolarHBondContact O-N 3.39Å; I110-M134 HydrophobicContact CB-CE 4.05Å; I110-M134 HydrophobicContact CD1-CE 4.3Å; I110-M134 HydrophobicContact CG2-CE 3.99Å |
| 111 | A | 57.2 | Low | 65.5 | Low | 10 Ų | 10 | 70.3 Ų | 70.3 | 8% | 0.083 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -56.1 | -36.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F107 V108 I109 G133 | F107-A111 PolarHBondContact O-N 2.91Å; V108-A111 VanDerWaalsContact O-CB 3.26Å; V108-A111 WeakPolarHBondContact O-CB 3.12Å; I109-A111 PolarHBondContact O-N 3.06Å; A111-G133 VanDerWaalsContact CA-CA 3.47Å |
| 112 | M | 50.6 | Low | 62.8 | Low | 60 Ų | 60 | 75.1 Ų | 75.1 | 30% | 0.296 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -77.3 | -29 | -178.1 | -45.4 | -175 | 85.1 | 0 | 0 | 112.1 | V108 I109 I110 A129 | V108-M112 WeakPolarHBondContact O-CG 3.37Å; I109-M112 WeakPolarHBondContact O-CA 3.31Å; I109-M112 WeakPolarHBondContact O-CB 3.36Å; I109-M112 PolarHBondContact O-N 3.43Å; I110-M112 VanDerWaalsContact C-N 3.25Å; I110-M112 PolarHBondContact O-N 3.19Å; M112-A129 HydrophobicContact CB-CB 3.73Å; M112-A129 HydrophobicContact CE-CB 3.34Å; M112-A129 HydrophobicContact CG-CB 3.57Å; M112-A129 HydrophobicContact SD-CB 4.28Å |
| 113 | Q | 52 | Low | 60.2 | Low | 132 Ų | 132 | 80.7 Ų | 80.7 | 62% | 0.617 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -85.6 | -17.1 | -173.2 | -67.4 | -175.2 | -8.9 | 0 | 0 | 114.4 | I109 I110 L115 | I109-Q113 PolarHBondContact O-N 3.37Å; I110-Q113 PolarHBondContact O-N 2.83Å; Q113-L115 PolarHBondContact O-N 3.38Å |
| 114 | L | 47.6 | Very low | 57.8 | Low | 97 Ų | 97 | 87.4 Ų | 87.4 | 51% | 0.508 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 4.2 | 177 | -69.8 | 170.2 | 0 | 0 | 0 | 113.8 | I110 A132 | I110-L114 HydrophobicContact CG2-CD1 4.36Å; I110-L114 PolarHBondContact O-N 3.39Å; L114-A132 HydrophobicContact CB-CB 4.26Å |
| 115 | L | 41.8 | Very low | 55.2 | Low | 63 Ų | 63 | 93.5 Ų | 93.5 | 33% | 0.33 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -82.7 | 130.9 | 173.6 | -72.3 | 171.9 | 0 | 0 | 0 | 111.2 | Q113 K117 A129 A132 | Q113-L115 PolarHBondContact O-N 3.38Å; L115-K117 PolarHBondContact O-N 3.32Å; L115-A129 HydrophobicContact CD1-CB 4.44Å; L115-A132 HydrophobicContact CD2-CB 3.8Å; L115-A132 HydrophobicContact CG-CB 4.04Å |
| 116 | P | 48.6 | Very low | 53.2 | Low | 119 Ų | 119 | 98.9 Ų | 98.9 | 77% | 0.773 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 122.2 | 176.2 | 21.5 | -29.2 | 0 | 0 | 0 | 111 | ||
| 117 | K | 48.4 | Very low | 51.2 | Low | 181 Ų | 181 | 97.5 Ų | 97.5 | 79% | 0.787 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 116.2 | 169.7 | -67 | 178.3 | 178.5 | 176.2 | 0 | 107.9 | L115 T120 | L115-K117 PolarHBondContact O-N 3.32Å; K117-T120 HydrophobicContact CD-CG2 4.39Å; K117-T120 HydrophobicContact CG-CG2 4.35Å |
| 118 | P | 46 | Very low | 49.1 | Very low | 110 Ų | 110 | 106.9 Ų | 106.9 | 71% | 0.714 | 55% | 0.553 | S | S | * | * | -146.4 | 82.9 | 96.2 | 36.1 | -17.5 | 0 | 0 | 0 | 111.4 | |||||
| 119 | L | 40.8 | Very low | 47.2 | Very low | 137 Ų | 137 | 105.7 Ų | 105.7 | 72% | 0.717 | 55% | 0.547 | S | S | * | . | trans | -150.9 | 65.4 | 164.4 | -94.6 | 124.2 | 0 | 0 | 0 | 107.9 | ||||
| 120 | T | 39.5 | Very low | 45.8 | Very low | 117 Ų | 117 | 104.8 Ų | 104.8 | 72% | 0.718 | 54% | 0.543 | S | S | * | . | trans | -101.5 | 29.7 | -177 | 47.3 | 0 | 0 | 0 | 0 | 113.4 | K117 | K117-T120 HydrophobicContact CD-CG2 4.39Å; K117-T120 HydrophobicContact CG-CG2 4.35Å | ||
| 121 | S | 37.9 | Very low | 44.6 | Very low | 90 Ų | 90 | 112.1 Ų | 112.1 | 63% | 0.629 | 57% | 0.574 | S | S | * | * | trans | -121.6 | 134.2 | 170.8 | 62.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 122 | L | 38.5 | Very low | 44.2 | Very low | 142 Ų | 142 | 113.3 Ų | 113.3 | 74% | 0.743 | 58% | 0.583 | S | S | * | * | S | Bend | trans | 77.7 | 94.1 | 171.4 | -62.3 | 148.1 | 0 | 0 | 0 | 116.2 | H124 | L122-H124 PolarHBondContact O-N 3.21Å; L122-H124 PolarHBondContact O-ND1 3.28Å |
| 123 | L | 38.1 | Very low | 44.6 | Very low | 179 Ų | 179 | 111.2 Ų | 111.2 | 94% | 0.937 | 58% | 0.577 | S | S | * | * | S | Bend | trans | 41.5 | 0.4 | 136.1 | -147.9 | 67.7 | 0 | 0 | 0 | 121.3 | ||
| 124 | H | 43.2 | Very low | 45.6 | Very low | 141 Ų | 141 | 105.2 Ų | 105.2 | 65% | 0.653 | 55% | 0.549 | S | S | * | . | trans | -107.6 | 9.4 | -173.4 | -64.7 | 92.7 | 0 | 0 | 0 | 112.6 | L122 H126 I127 | L122-H124 PolarHBondContact O-N 3.21Å; L122-H124 PolarHBondContact O-ND1 3.28Å; H124-H126 VanDerWaalsContact C-N 3.28Å; H124-H126 PolarHBondContact O-N 3.46Å; H124-I127 PolarHBondContact O-N 3.39Å | ||
| 125 | L | 39.5 | Very low | 47.3 | Very low | 128 Ų | 128 | 104.3 Ų | 104.3 | 67% | 0.67 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -71 | -15.6 | -167.1 | -159.1 | 69.8 | 0 | 0 | 0 | 114.5 | I127 | L125-I127 VanDerWaalsContact C-N 3.32Å; L125-I127 PolarHBondContact O-N 3.38Å |
| 126 | H | 48 | Very low | 49.7 | Very low | 158 Ų | 158 | 102.3 Ų | 102.3 | 73% | 0.731 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -74.8 | -20.3 | 177.2 | -73.5 | 102.4 | 0 | 0 | 0 | 113.7 | H124 | H124-H126 VanDerWaalsContact C-N 3.28Å; H124-H126 PolarHBondContact O-N 3.46Å |
| 127 | I | 47.1 | Very low | 51.9 | Low | 62 Ų | 62 | 96.7 Ų | 96.7 | 32% | 0.318 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -94.6 | -25.5 | -167 | -60.8 | 174.7 | 0 | 0 | 0 | 112.9 | H124 L125 L171 | H124-I127 PolarHBondContact O-N 3.39Å; L125-I127 VanDerWaalsContact C-N 3.32Å; L125-I127 PolarHBondContact O-N 3.38Å; I127-L171 HydrophobicContact CD1-CD1 3.88Å |
| 128 | R | 38.9 | Very low | 54.1 | Low | 199 Ų | 199 | 88.1 Ų | 88.1 | 75% | 0.751 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -96.6 | -5.1 | 179.9 | -72.1 | -172.7 | 176.5 | -176.9 | 0.5 | 115 | L130 | R128-L130 VanDerWaalsContact C-N 3.28Å; R128-L130 PolarHBondContact O-N 3.43Å |
| 129 | A | 41.2 | Very low | 56.4 | Low | 8 Ų | 8 | 82.9 Ų | 82.9 | 7% | 0.066 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -75.2 | -8.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | M112 L115 K131 | M112-A129 HydrophobicContact CB-CB 3.73Å; M112-A129 HydrophobicContact CE-CB 3.34Å; M112-A129 HydrophobicContact CG-CB 3.57Å; M112-A129 HydrophobicContact SD-CB 4.28Å; L115-A129 HydrophobicContact CD1-CB 4.44Å; A129-K131 PolarHBondContact O-N 2.94Å |
| 130 | L | 46.4 | Very low | 59 | Low | 52 Ų | 52 | 76.4 Ų | 76.4 | 27% | 0.272 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -72.9 | -5.9 | -178.5 | -74.2 | 162.2 | 0 | 0 | 0 | 114.6 | R128 N175 K178 | R128-L130 VanDerWaalsContact C-N 3.28Å; R128-L130 PolarHBondContact O-N 3.43Å; L130-N175 WeakPolarHBondContact CD1-OD1 3.4Å; L130-K178 HydrophobicContact CD2-CB 4.49Å; L130-K178 HydrophobicContact CD2-CG 4.43Å |
| 131 | K | 46.3 | Very low | 61.4 | Low | 170 Ų | 170 | 71.3 Ų | 71.3 | 74% | 0.739 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -90.9 | -18.1 | -171.9 | -75.2 | -172.7 | 176.7 | -178.3 | 0 | 116.3 | A129 | A129-K131 PolarHBondContact O-N 2.94Š|
| 132 | A | 47.9 | Very low | 63.7 | Low | 34 Ų | 34 | 67 Ų | 67 | 28% | 0.281 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -118.2 | 13.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L114 L115 | L114-A132 HydrophobicContact CB-CB 4.26Å; L115-A132 HydrophobicContact CD2-CB 3.8Å; L115-A132 HydrophobicContact CG-CB 4.04Å |
| 133 | G | 58.8 | Low | 65.7 | Low | 16 Ų | 16 | 65.2 Ų | 65.2 | 17% | 0.165 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -82.5 | 161.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 118 | A111 K135 | A111-G133 VanDerWaalsContact CA-CA 3.47Å; G133-K135 WeakPolarHBondContact O-CG 3.44Å; G133-K135 PolarHBondContact O-N 3.45Å |
| 134 | M | 74 | Confident | 67.8 | Low | 6 Ų | 6 | 58.5 Ų | 58.5 | 3% | 0.03 | 29% | 0.288 | C | S | . | . | trans | -62.6 | 113.9 | 158.3 | -66.6 | 179.7 | -78.4 | 0 | 0 | 107.4 | D24 R77 I79 F107 I110 I137 | D24-M134 HydrophobicContact CB-CB 3.73Å; D24-M134 HydrophobicContact CB-CG 3.74Å; D24-M134 VanDerWaalsContact O-SD 3.4Å; R77-M134 HydrophobicContact CB-SD 4.39Å; I79-M134 HydrophobicContact CD1-CE 4.32Å; F107-M134 HydrophobicContact CB-CE 4.17Å; F107-M134 HydrophobicContact CD1-CB 4.15Å; F107-M134 HydrophobicContact CD1-CE 3.08Å; F107-M134 HydrophobicContact CD1-CG 4.39Å; F107-M134 HydrophobicContact CD1-SD 3.39Å; F107-M134 WeakPolarHBondContact CD1-SD 3.29Å; F107-M134 HydrophobicContact CE1-CE 3.55Å; F107-M134 HydrophobicContact CE1-SD 3.34Å; F107-M134 WeakPolarHBondContact CE1-SD 3.26Å; F107-M134 HydrophobicContact CG-CE 3.9Å; I110-M134 HydrophobicContact CB-CE 4.05Å; I110-M134 HydrophobicContact CD1-CE 4.3Å; I110-M134 HydrophobicContact CG2-CE 3.99Å; M134-I137 HydrophobicContact CB-CG1 4.45Å | ||
| 135 | K | 83.5 | Confident | 69.8 | Low | 78 Ų | 78 | 61.6 Ų | 61.6 | 34% | 0.339 | 30% | 0.3 | S | S | . | . | trans | -101 | -22.8 | -176.5 | -63.2 | -173.2 | -176.2 | 176.4 | 0 | 111.8 | D24 G133 I179 N180 S181 | D24-K135 PolarHBondContact OD2-N 3.39Å; G133-K135 WeakPolarHBondContact O-CG 3.44Å; G133-K135 PolarHBondContact O-N 3.45Å; K135-I179 WeakPolarHBondContact O-CB 3.26Å; K135-N180 HydrophobicContact CB-CB 4.05Å; K135-N180 WeakPolarHBondContact O-CA 3.28Å; K135-N180 PolarHBondContact O-N 2.88Å; K135-S181 PolarHBondContact O-N 3.43Å | ||
| 136 | S | 91.7 | Very high | 72.1 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 15% | 0.154 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 109.4 | 178.4 | -61.5 | 0 | 0 | 0 | 0 | 109 | A22 Y23 D24 S181 | A22-S136 WeakPolarHBondContact O-CB 3.37Å; Y23-S136 CarbonylContact C-O 3.58Å; Y23-S136 WeakPolarHBondContact CA-O 3.35Å; D24-S136 PolarHBondContact N-O 3.21Å; D24-S136 PolarHBondContact OD2-N 3.22Å; S136-S181 WeakPolarHBondContact CA-O 3.47Å; S136-S181 WeakPolarHBondContact CA-OG 3.42Å; S136-S181 WeakPolarHBondContact CB-OG 3.38Å; S136-S181 PolarHBondContact OG-OG 3.44Å |
| 137 | I | 93.5 | Very high | 74 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.2 | -174.1 | -56.9 | 170 | 0 | 0 | 0 | 109.1 | L27 M104 F107 M134 I179 S181 L182 S183 | L27-I137 HydrophobicContact CB-CG2 4.42Å; M104-I137 HydrophobicContact CE-CD1 4.24Å; M104-I137 HydrophobicContact CE-CG2 4.08Å; M104-I137 HydrophobicContact SD-CD1 3.53Å; M104-I137 VanDerWaalsContact SD-CD1 3.53Å; F107-I137 HydrophobicContact CB-CD1 3.77Å; F107-I137 HydrophobicContact CD1-CD1 3.84Å; F107-I137 HydrophobicContact CD1-CG1 3.92Å; F107-I137 HydrophobicContact CD1-CG2 4.17Å; F107-I137 HydrophobicContact CD2-CG2 4.36Å; F107-I137 HydrophobicContact CE1-CG1 4.43Å; F107-I137 HydrophobicContact CE1-CG2 4.13Å; F107-I137 HydrophobicContact CE2-CG2 4.3Å; F107-I137 HydrophobicContact CG-CD1 3.85Å; F107-I137 HydrophobicContact CG-CG1 4.39Å; F107-I137 HydrophobicContact CG-CG2 4.36Å; F107-I137 HydrophobicContact CZ-CG2 4.23Å; M134-I137 HydrophobicContact CB-CG1 4.45Å; I137-I179 HydrophobicContact CD1-CG2 3.97Å; I137-S181 PolarHBondContact N-O 2.86Å; I137-L182 HydrophobicContact CB-CD1 4.41Å; I137-L182 HydrophobicContact CG2-CD1 4.46Å; I137-S183 PolarHBondContact O-N 2.9Å |
| 138 | L | 95.1 | Very high | 75.9 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 129.6 | 167.6 | -175.1 | 62.7 | 0 | 0 | 0 | 109.2 | C15 F18 Y23 G25 L26 L27 S183 W185 | C15-L138 HydrophobicContact CB-CD1 3.86Å; F18-L138 HydrophobicContact CB-CD2 4.27Å; Y23-L138 HydrophobicContact CD1-CB 4.06Å; Y23-L138 HydrophobicContact CD2-CB 4.03Å; Y23-L138 HydrophobicContact CD2-CD2 4.17Å; Y23-L138 HydrophobicContact CE1-CB 4.44Å; Y23-L138 HydrophobicContact CE2-CB 4.39Å; Y23-L138 HydrophobicContact CE2-CD1 4.26Å; Y23-L138 HydrophobicContact CE2-CD2 4.24Å; Y23-L138 HydrophobicContact CG-CB 3.86Å; G25-L138 PolarHBondContact O-N 2.96Å; G25-L138 VanDerWaalsContact O-N 3.12Å; L26-L138 CarbonylContact C-O 3.52Å; L26-L138 WeakPolarHBondContact CA-O 3.29Å; L26-L138 HydrophobicContact CD1-CB 4.05Å; L26-L138 HydrophobicContact CD1-CD2 4Å; L26-L138 HydrophobicContact CD1-CG 3.88Å; L27-L138 PolarHBondContact N-O 3.09Å; L138-S183 CarbonylContact C-O 3.57Å; L138-W185 HydrophobicContact CD1-CB 3.93Å; L138-W185 HydrophobicContact CD2-CB 4.26Å; L138-W185 HydrophobicContact CG-CB 4.07Å |
| 139 | L | 95.1 | Very high | 78.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123.9 | 176.3 | 170.5 | 64.9 | 0 | 0 | 0 | 109.5 | L27 V29 L155 A158 L182 S183 L184 W185 | L27-L139 HydrophobicContact CB-CD1 4.01Å; L27-L139 HydrophobicContact CD2-CD1 3.83Å; L27-L139 HydrophobicContact CG-CD1 3.72Å; L27-L139 CarbonylContact O-C 3.56Å; L27-L139 WeakPolarHBondContact O-CA 3.27Å; V29-L139 HydrophobicContact CG2-CD1 3.96Å; L139-L155 HydrophobicContact CD2-CB 4.38Å; L139-L155 HydrophobicContact CD2-CD1 4.07Å; L139-A158 HydrophobicContact CD2-CB 4.06Å; L139-L182 HydrophobicContact CB-CD1 4.2Å; L139-S183 PolarHBondContact N-O 3.01Å; L139-L184 HydrophobicContact CD2-CD1 4.48Å; L139-L184 HydrophobicContact CG-CD1 4.46Å; L139-W185 WeakPolarHBondContact O-CB 3.33Å; L139-W185 PolarHBondContact O-N 3.45Å |
| 140 | A | 94.4 | Very high | 80.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 134.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | L26 L27 V28 V29 L40 W185 | L26-A140 HydrophobicContact CD1-CB 4.16Å; L27-A140 PolarHBondContact O-N 2.89Å; V28-A140 WeakPolarHBondContact CA-O 3.43Å; V28-A140 HydrophobicContact CG2-CB 4.31Å; V29-A140 PolarHBondContact N-O 3Å; L40-A140 HydrophobicContact CD1-CB 3.73Å; A140-W185 HydrophobicContact CB-CB 3.9Å; A140-W185 HydrophobicContact CB-CD2 4.39Å; A140-W185 HydrophobicContact CB-CE3 4.23Å; A140-W185 HydrophobicContact CB-CG 4.28Å |
| 141 | C | 91.3 | Very high | 82.7 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 7% | 0.068 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 134.4 | 173.8 | -171.5 | 0 | 0 | 0 | 0 | 108.9 | V29 P151 | V29-C141 CarbonylContact O-C 3.6Å; V29-C141 WeakPolarHBondContact O-CA 3.44Å; C141-P151 HydrophobicContact CB-CB 4.4Å; C141-P151 HydrophobicContact CB-CG 4.49Å |
| 142 | G | 85.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -62 | 147.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V29 D35 | V29-G142 PolarHBondContact O-N 2.79Å; D35-G142 VanDerWaalsContact O-CA 3.31Å; D35-G142 WeakPolarHBondContact O-CA 3.5Å | ||
| 143 | V | 79.9 | Confident | 87.1 | Confident | 104 Ų | 104 | 32.9 Ų | 32.9 | 63% | 0.63 | 18% | 0.181 | S | C | * | . | trans | -95.1 | 114.7 | 179.9 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | D35 P37 | D35-V143 PolarHBondContact O-N 2.71Å; P37-V143 HydrophobicContact CG-CG2 4.48Å | ||
| 144 | H | 84 | Confident | 88.9 | Confident | 39 Ų | 39 | 32.1 Ų | 32.1 | 18% | 0.181 | 17% | 0.173 | C | C | . | . | trans | -117.2 | 122.1 | 177.7 | -165.9 | -77.8 | 0 | 0 | 0 | 111 | F96 S146 Y147 | F96-H144 HydrophobicContact CZ-CB 3.84Å; H144-S146 PolarHBondContact CE1-OG 3.37Å; H144-S146 PolarHBondContact ND1-N 2.86Å; H144-S146 PolarHBondContact O-N 2.79Å; H144-S146 VanDerWaalsContact O-N 3.15Å; H144-Y147 HydrophobicContact CB-CD2 4.2Å; H144-Y147 AromaticContact CE1-CD2 3.75Å; H144-Y147 AromaticContact CE1-CE2 3.75Å; H144-Y147 AromaticContact CG-CD2 3.76Å; H144-Y147 AromaticContact ND1-CD2 3.21Å; H144-Y147 WeakPolarHBondContact ND1-CD2 3.31Å; H144-Y147 AromaticContact ND1-CE2 3.7Å; H144-Y147 CarbonylContact O-C 3.56Å; H144-Y147 PolarHBondContact O-N 2.73Å | ||
| 145 | K | 83.9 | Confident | 89.9 | Confident | 206 Ų | 206 | 32 Ų | 32 | 90% | 0.896 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -34.2 | -173.1 | -66.5 | -178.5 | -178.8 | 176.7 | 0 | 113.7 | Y147 | K145-Y147 VanDerWaalsContact C-N 3.34Š|
| 146 | S | 87.6 | Confident | 90.4 | Very high | 84 Ų | 84 | 28.4 Ų | 28.4 | 59% | 0.587 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -13.2 | 179.5 | -46.7 | 0 | 0 | 0 | 0 | 114.2 | H144 | H144-S146 PolarHBondContact CE1-OG 3.37Å; H144-S146 PolarHBondContact ND1-N 2.86Å; H144-S146 PolarHBondContact O-N 2.79Å; H144-S146 VanDerWaalsContact O-N 3.15Å |
| 147 | Y | 89.3 | Confident | 90.6 | Very high | 25 Ų | 25 | 27.3 Ų | 27.3 | 10% | 0.098 | 15% | 0.149 | C | C | . | . | trans | -129.8 | 68.6 | -175 | -56.6 | -73.8 | 0 | 0 | 0 | 110.3 | L86 D91 E93 F96 H144 K145 T149 A150 | L86-Y147 HydrophobicContact CB-CE2 4Å; L86-Y147 HydrophobicContact CD1-CD2 4.08Å; L86-Y147 HydrophobicContact CD1-CE2 4.05Å; L86-Y147 HydrophobicContact CD2-CE2 4.07Å; L86-Y147 HydrophobicContact CG-CE2 4.27Å; D91-Y147 WeakPolarHBondContact CB-OH 3.28Å; D91-Y147 PolarHBondContact O-OH 3.17Å; E93-Y147 HydrophobicContact CG-CD1 4.48Å; F96-Y147 HydrophobicContact CD2-CG 4.36Å; F96-Y147 HydrophobicContact CE2-CD1 4.42Å; F96-Y147 AromaticContact CE2-CD2 3.56Å; F96-Y147 HydrophobicContact CE2-CD2 3.56Å; F96-Y147 HydrophobicContact CE2-CE2 4.38Å; F96-Y147 AromaticContact CE2-CG 3.6Å; F96-Y147 HydrophobicContact CE2-CG 3.6Å; F96-Y147 HydrophobicContact CZ-CD2 4.11Å; F96-Y147 HydrophobicContact CZ-CG 4.4Å; H144-Y147 HydrophobicContact CB-CD2 4.2Å; H144-Y147 AromaticContact CE1-CD2 3.75Å; H144-Y147 AromaticContact CE1-CE2 3.75Å; H144-Y147 AromaticContact CG-CD2 3.76Å; H144-Y147 AromaticContact ND1-CD2 3.21Å; H144-Y147 WeakPolarHBondContact ND1-CD2 3.31Å; H144-Y147 AromaticContact ND1-CE2 3.7Å; H144-Y147 CarbonylContact O-C 3.56Å; H144-Y147 PolarHBondContact O-N 2.73Å; K145-Y147 VanDerWaalsContact C-N 3.34Å; Y147-T149 PolarHBondContact O-N 2.97Å; Y147-T149 VanDerWaalsContact O-N 3.15Å; Y147-A150 WeakPolarHBondContact O-CB 3.15Å; Y147-A150 PolarHBondContact O-N 2.56Å | ||
| 148 | P | 85.7 | Confident | 90.7 | Very high | 66 Ų | 66 | 27.3 Ų | 27.3 | 43% | 0.429 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26.4 | -174.5 | 24.8 | -34.8 | 0 | 0 | 0 | 113.2 | A150 | P148-A150 VanDerWaalsContact C-N 3.31Å; P148-A150 PolarHBondContact O-N 2.66Å |
| 149 | T | 89.8 | Confident | 90.7 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 3.3 | 178.3 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | E93 Y147 P151 L152 V153 A447 L551 | E93-T149 WeakPolarHBondContact CG-OG1 3.19Å; Y147-T149 PolarHBondContact O-N 2.97Å; Y147-T149 VanDerWaalsContact O-N 3.15Å; T149-P151 VanDerWaalsContact C-CD 3.49Å; T149-P151 VanDerWaalsContact C-N 3.35Å; T149-L152 WeakPolarHBondContact O-CB 3.4Å; T149-L152 PolarHBondContact O-N 2.86Å; T149-V153 PolarHBondContact O-N 3.41Å; T149-A447 WeakPolarHBondContact CB-O 3.48Å; T149-A447 HydrophobicContact CG2-CB 4.34Å; T149-A447 WeakPolarHBondContact CG2-O 3.26Å; T149-A447 PolarHBondContact OG1-O 2.96Å; T149-L551 HydrophobicContact CG2-CB 4.26Å; T149-L551 HydrophobicContact CG2-CD1 4.04Å |
| 150 | A | 90.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -47.3 | -47.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F96 Y147 P148 L152 V153 S154 | F96-A150 HydrophobicContact CB-CB 4.29Å; F96-A150 HydrophobicContact CD1-CB 3.43Å; F96-A150 VanDerWaalsContact CD1-CB 3.43Å; F96-A150 HydrophobicContact CD2-CB 3.83Å; F96-A150 HydrophobicContact CE1-CB 3.53Å; F96-A150 HydrophobicContact CE2-CB 3.94Å; F96-A150 HydrophobicContact CG-CB 3.57Å; F96-A150 HydrophobicContact CZ-CB 3.79Å; Y147-A150 WeakPolarHBondContact O-CB 3.15Å; Y147-A150 PolarHBondContact O-N 2.56Å; P148-A150 VanDerWaalsContact C-N 3.31Å; P148-A150 PolarHBondContact O-N 2.66Å; A150-L152 VanDerWaalsContact C-N 3.32Å; A150-L152 PolarHBondContact O-N 2.82Å; A150-V153 WeakPolarHBondContact O-CG2 3.39Å; A150-V153 PolarHBondContact O-N 3.25Å; A150-S154 WeakPolarHBondContact O-CB 3.44Å; A150-S154 PolarHBondContact O-N 3.24Å; A150-S154 PolarHBondContact O-OG 2.98Å |
| 151 | P | 90.3 | Very high | 90.6 | Very high | 28 Ų | 28 | 29.3 Ų | 29.3 | 18% | 0.182 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.6 | -40.6 | 177.9 | -24.9 | 35.5 | 0 | 0 | 0 | 113.3 | C141 T149 L155 | C141-P151 HydrophobicContact CB-CB 4.4Å; C141-P151 HydrophobicContact CB-CG 4.49Å; T149-P151 VanDerWaalsContact C-CD 3.49Å; T149-P151 VanDerWaalsContact C-N 3.35Å; P151-L155 VanDerWaalsContact O-CB 3.26Å; P151-L155 WeakPolarHBondContact O-CB 3.29Å; P151-L155 PolarHBondContact O-N 3.31Å |
| 152 | L | 92.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.3 | -50.3 | 178.8 | 176.9 | 58.7 | 0 | 0 | 0 | 111.1 | T149 A150 L155 L156 L200 A201 V448 L551 F554 | T149-L152 WeakPolarHBondContact O-CB 3.4Å; T149-L152 PolarHBondContact O-N 2.86Å; A150-L152 VanDerWaalsContact C-N 3.32Å; A150-L152 PolarHBondContact O-N 2.82Å; L152-L155 PolarHBondContact O-N 3.02Å; L152-L156 HydrophobicContact CD1-CD1 4.15Å; L152-L156 HydrophobicContact CD1-CG 4.23Å; L152-L156 HydrophobicContact CG-CD1 4.12Å; L152-L156 WeakPolarHBondContact O-CG 3.5Å; L152-L156 PolarHBondContact O-N 3.44Å; L152-L200 HydrophobicContact CD2-CD2 4.45Å; L152-A201 HydrophobicContact CD1-CB 3.79Å; L152-V448 HydrophobicContact CD2-CG1 4.18Å; L152-L551 HydrophobicContact CD2-CD2 3.73Å; L152-F554 HydrophobicContact CB-CD1 3.94Å; L152-F554 HydrophobicContact CB-CE1 3.67Å; L152-F554 HydrophobicContact CB-CZ 4.33Å; L152-F554 HydrophobicContact CD1-CE1 4.12Å; L152-F554 HydrophobicContact CD1-CZ 4.25Å; L152-F554 HydrophobicContact CD2-CE1 4.19Å; L152-F554 HydrophobicContact CD2-CE2 4.41Å; L152-F554 HydrophobicContact CD2-CZ 3.99Å; L152-F554 HydrophobicContact CG-CE1 4.2Å; L152-F554 HydrophobicContact CG-CZ 4.42Å |
| 153 | V | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -71.7 | -32.6 | -176.2 | -61.4 | 0 | 0 | 0 | 0 | 112.3 | E93 F96 K97 T149 A150 L156 G157 A449 | E93-V153 HydrophobicContact CB-CG1 4.34Å; E93-V153 HydrophobicContact CB-CG2 4.25Å; E93-V153 WeakPolarHBondContact O-CG2 3.47Å; F96-V153 HydrophobicContact CB-CG2 3.72Å; K97-V153 HydrophobicContact CB-CB 4.33Å; T149-V153 PolarHBondContact O-N 3.41Å; A150-V153 WeakPolarHBondContact O-CG2 3.39Å; A150-V153 PolarHBondContact O-N 3.25Å; V153-L156 PolarHBondContact O-N 3.22Å; V153-G157 PolarHBondContact O-N 3.28Å; V153-A449 HydrophobicContact CB-CB 4.28Å; V153-A449 HydrophobicContact CG1-CB 4.02Å |
| 154 | S | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 169.4 | -74.9 | 0 | 0 | 0 | 0 | 111.3 | F96 A100 A150 L156 G157 A158 | F96-S154 WeakPolarHBondContact CB-OG 3.48Å; F96-S154 PolarHBondContact O-OG 3.34Å; A100-S154 WeakPolarHBondContact CB-O 3.34Å; A150-S154 WeakPolarHBondContact O-CB 3.44Å; A150-S154 PolarHBondContact O-N 3.24Å; A150-S154 PolarHBondContact O-OG 2.98Å; S154-L156 PolarHBondContact O-N 3.15Å; S154-G157 PolarHBondContact O-N 3.49Å; S154-A158 WeakPolarHBondContact O-CB 3.26Å; S154-A158 PolarHBondContact O-N 2.89Å |
| 155 | L | 94.9 | Very high | 92 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 176.3 | -177.4 | 59.9 | 0 | 0 | 0 | 111.7 | L139 P151 L152 G157 A158 M159 L182 L198 A201 | L139-L155 HydrophobicContact CD2-CB 4.38Å; L139-L155 HydrophobicContact CD2-CD1 4.07Å; P151-L155 VanDerWaalsContact O-CB 3.26Å; P151-L155 WeakPolarHBondContact O-CB 3.29Å; P151-L155 PolarHBondContact O-N 3.31Å; L152-L155 PolarHBondContact O-N 3.02Å; L155-G157 PolarHBondContact O-N 3.3Å; L155-A158 PolarHBondContact O-N 2.85Å; L155-M159 HydrophobicContact CD1-CE 3.95Å; L155-M159 HydrophobicContact CD1-CG 4.26Å; L155-M159 HydrophobicContact CD1-SD 4.39Å; L155-M159 HydrophobicContact CD2-CE 4.41Å; L155-M159 HydrophobicContact CG-CE 4.1Å; L155-M159 HydrophobicContact CG-CG 4.49Å; L155-M159 HydrophobicContact CG-SD 4.18Å; L155-M159 WeakPolarHBondContact O-CB 3.38Å; L155-M159 VanDerWaalsContact O-CG 3.22Å; L155-M159 WeakPolarHBondContact O-CG 3.4Å; L155-M159 PolarHBondContact O-N 2.76Å; L155-L182 HydrophobicContact CD1-CD2 3.84Å; L155-L182 HydrophobicContact CD1-CG 4.43Å; L155-L198 HydrophobicContact CD1-CD1 4.25Å; L155-L198 HydrophobicContact CD2-CD1 3.5Å; L155-L198 HydrophobicContact CG-CD1 4.49Å; L155-A201 HydrophobicContact CB-CB 4.47Å; L155-A201 HydrophobicContact CD2-CB 3.33Å; L155-A201 HydrophobicContact CG-CB 3.81Å |
| 156 | L | 95.7 | Very high | 92.3 | Very high | 3 Ų | 3 | 16.7 Ų | 16.7 | 2% | 0.016 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.6 | -37.6 | 175.8 | -70.9 | 174 | 0 | 0 | 0 | 112.8 | L152 V153 S154 Q160 A201 I204 | L152-L156 HydrophobicContact CD1-CD1 4.15Å; L152-L156 HydrophobicContact CD1-CG 4.23Å; L152-L156 HydrophobicContact CG-CD1 4.12Å; L152-L156 WeakPolarHBondContact O-CG 3.5Å; L152-L156 PolarHBondContact O-N 3.44Å; V153-L156 PolarHBondContact O-N 3.22Å; S154-L156 PolarHBondContact O-N 3.15Å; L156-Q160 VanDerWaalsContact O-CB 3.28Å; L156-Q160 WeakPolarHBondContact O-CB 3.5Å; L156-Q160 PolarHBondContact O-N 3.41Å; L156-A201 HydrophobicContact CD2-CB 4.21Å; L156-I204 HydrophobicContact CD1-CD1 4.48Å; L156-I204 HydrophobicContact CD1-CG2 4.3Å; L156-I204 HydrophobicContact CD2-CB 3.95Å; L156-I204 HydrophobicContact CD2-CG2 3.64Å |
| 157 | G | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.8 | -45.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E101 V153 S154 L155 M159 Q160 T161 | E101-G157 VanDerWaalsContact CG-O 3.26Å; E101-G157 WeakPolarHBondContact CG-O 3.5Å; V153-G157 PolarHBondContact O-N 3.28Å; S154-G157 PolarHBondContact O-N 3.49Å; L155-G157 PolarHBondContact O-N 3.3Å; G157-M159 PolarHBondContact O-N 2.9Å; G157-Q160 PolarHBondContact O-N 2.87Å; G157-T161 PolarHBondContact O-N 3.35Å; G157-T161 VanDerWaalsContact O-N 3.15Å; G157-T161 PolarHBondContact O-OG1 3.44Å |
| 158 | A | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.4 | -49.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A100 M104 L139 S154 L155 T161 L162 L182 | A100-A158 HydrophobicContact CB-CB 4.42Å; M104-A158 HydrophobicContact CB-CB 4.37Å; M104-A158 HydrophobicContact CE-CB 3.76Å; M104-A158 HydrophobicContact CG-CB 4.45Å; L139-A158 HydrophobicContact CD2-CB 4.06Å; S154-A158 WeakPolarHBondContact O-CB 3.26Å; S154-A158 PolarHBondContact O-N 2.89Å; L155-A158 PolarHBondContact O-N 2.85Å; A158-T161 WeakPolarHBondContact O-CB 3.34Å; A158-T161 PolarHBondContact O-N 3.31Å; A158-L162 WeakPolarHBondContact O-CG 3.32Å; A158-L162 PolarHBondContact O-N 3.44Å; A158-L182 HydrophobicContact CB-CD2 4.37Å |
| 159 | M | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.2 | -40.3 | 179.8 | -69.2 | -179.3 | 160.4 | 0 | 0 | 113.1 | V12 L155 G157 T161 L162 Y163 L182 A201 E205 | V12-M159 HydrophobicContact CB-CE 4.46Å; V12-M159 HydrophobicContact CG1-CE 3.57Å; V12-M159 HydrophobicContact CG2-CE 4Å; L155-M159 HydrophobicContact CD1-CE 3.95Å; L155-M159 HydrophobicContact CD1-CG 4.26Å; L155-M159 HydrophobicContact CD1-SD 4.39Å; L155-M159 HydrophobicContact CD2-CE 4.41Å; L155-M159 HydrophobicContact CG-CE 4.1Å; L155-M159 HydrophobicContact CG-CG 4.49Å; L155-M159 HydrophobicContact CG-SD 4.18Å; L155-M159 WeakPolarHBondContact O-CB 3.38Å; L155-M159 VanDerWaalsContact O-CG 3.22Å; L155-M159 WeakPolarHBondContact O-CG 3.4Å; L155-M159 PolarHBondContact O-N 2.76Å; G157-M159 PolarHBondContact O-N 2.9Å; M159-T161 PolarHBondContact O-N 3.22Å; M159-L162 WeakPolarHBondContact O-CA 3.43Å; M159-L162 WeakPolarHBondContact O-CB 3.47Å; M159-L162 PolarHBondContact O-N 3.12Å; M159-Y163 PolarHBondContact O-N 3.47Å; M159-L182 HydrophobicContact CE-CD2 4.41Å; M159-L182 HydrophobicContact CG-CD2 3.7Å; M159-A201 HydrophobicContact SD-CB 4.32Å; M159-E205 HydrophobicContact CB-CB 4.26Å; M159-E205 HydrophobicContact CB-CG 3.76Å; M159-E205 HydrophobicContact SD-CB 3.93Å; M159-E205 HydrophobicContact SD-CG 4.34Å |
| 160 | Q | 94.2 | Very high | 92.7 | Very high | 24 Ų | 24 | 20.2 Ų | 20.2 | 11% | 0.112 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -55.8 | -40.7 | 173.7 | 172.5 | -177.4 | -55.1 | 0 | 0 | 111.7 | E101 L156 G157 L162 Y163 E205 | E101-Q160 VanDerWaalsContact CD-NE2 3.29Å; E101-Q160 PolarHBondContact OE1-NE2 2.97Å; E101-Q160 PolarHBondContact OE1-OE1 2.94Å; L156-Q160 VanDerWaalsContact O-CB 3.28Å; L156-Q160 WeakPolarHBondContact O-CB 3.5Å; L156-Q160 PolarHBondContact O-N 3.41Å; G157-Q160 PolarHBondContact O-N 2.87Å; Q160-L162 PolarHBondContact O-N 2.91Å; Q160-Y163 VanDerWaalsContact O-CB 3.29Å; Q160-Y163 WeakPolarHBondContact O-CB 3.22Å; Q160-Y163 PolarHBondContact O-N 3.44Å; Q160-E205 WeakPolarHBondContact CA-OE1 3.42Å |
| 161 | T | 93 | Very high | 92.6 | Very high | 20 Ų | 20 | 25.8 Ų | 25.8 | 12% | 0.123 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.6 | -28.6 | 178.7 | -59.5 | 0 | 0 | 0 | 0 | 112.2 | E101 M104 S105 G157 A158 M159 K178 | E101-T161 WeakPolarHBondContact CA-OG1 3.29Å; E101-T161 PolarHBondContact O-OG1 3.1Å; M104-T161 HydrophobicContact CB-CG2 3.98Å; M104-T161 HydrophobicContact CG-CG2 3.91Å; S105-T161 VanDerWaalsContact OG-CG2 3.22Å; S105-T161 WeakPolarHBondContact OG-CG2 3.43Å; G157-T161 PolarHBondContact O-N 3.35Å; G157-T161 VanDerWaalsContact O-N 3.15Å; G157-T161 PolarHBondContact O-OG1 3.44Å; A158-T161 WeakPolarHBondContact O-CB 3.34Å; A158-T161 PolarHBondContact O-N 3.31Å; M159-T161 PolarHBondContact O-N 3.22Å; T161-K178 PolarHBondContact O-NZ 3.22Å |
| 162 | L | 93.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -83.9 | -10.1 | 179.8 | -63.7 | 169.2 | 0 | 0 | 0 | 113.5 | Y10 M104 V108 A158 M159 Q160 V164 K178 I179 L182 | Y10-L162 HydrophobicContact CE1-CB 3.72Å; Y10-L162 HydrophobicContact CE1-CD1 4.16Å; Y10-L162 HydrophobicContact CE2-CD1 4.11Å; M104-L162 HydrophobicContact CE-CD1 4.34Å; M104-L162 HydrophobicContact CG-CD1 4.41Å; M104-L162 HydrophobicContact CG-CD2 3.97Å; M104-L162 HydrophobicContact CG-CG 3.93Å; M104-L162 HydrophobicContact SD-CD1 4.22Å; M104-L162 HydrophobicContact SD-CD2 3.87Å; M104-L162 HydrophobicContact SD-CG 4.16Å; V108-L162 HydrophobicContact CG2-CD2 4.03Å; A158-L162 WeakPolarHBondContact O-CG 3.32Å; A158-L162 PolarHBondContact O-N 3.44Å; M159-L162 WeakPolarHBondContact O-CA 3.43Å; M159-L162 WeakPolarHBondContact O-CB 3.47Å; M159-L162 PolarHBondContact O-N 3.12Å; Q160-L162 PolarHBondContact O-N 2.91Å; L162-V164 PolarHBondContact O-N 2.87Å; L162-K178 HydrophobicContact CD2-CB 4.24Å; L162-I179 HydrophobicContact CD1-CD1 3.38Å; L162-I179 HydrophobicContact CD1-CG1 4.15Å; L162-I179 HydrophobicContact CD2-CB 4.49Å; L162-I179 HydrophobicContact CD2-CD1 3.84Å; L162-I179 HydrophobicContact CD2-CG1 3.97Å; L162-I179 HydrophobicContact CD2-CG2 3.76Å; L162-I179 HydrophobicContact CG-CD1 4.21Å; L162-L182 HydrophobicContact CD1-CB 4.36Å; L162-L182 HydrophobicContact CD1-CD2 3.91Å |
| 163 | Y | 92.8 | Very high | 91.9 | Very high | 22 Ų | 22 | 33.4 Ų | 33.4 | 9% | 0.086 | 17% | 0.168 | C | C | . | . | trans | -54.5 | 134.9 | 171.7 | 173.4 | -102.5 | 0 | 0 | 0 | 110.9 | M159 Q160 P165 K178 A209 R212 D213 A530 | M159-Y163 PolarHBondContact O-N 3.47Å; Q160-Y163 VanDerWaalsContact O-CB 3.29Å; Q160-Y163 WeakPolarHBondContact O-CB 3.22Å; Q160-Y163 PolarHBondContact O-N 3.44Å; Y163-P165 HydrophobicContact CE1-CB 4.25Å; Y163-P165 HydrophobicContact CE1-CG 4.06Å; Y163-K178 PolarHBondContact O-NZ 3.27Å; Y163-A209 HydrophobicContact CD2-CB 4.02Å; Y163-A209 HydrophobicContact CE2-CB 4.2Å; Y163-R212 HydrophobicContact CD2-CB 4.45Å; Y163-R212 HydrophobicContact CE1-CB 3.95Å; Y163-R212 HydrophobicContact CE2-CB 3.73Å; Y163-R212 VanDerWaalsContact CZ-CB 3.44Å; Y163-R212 WeakPolarHBondContact OH-CB 3.34Å; Y163-D213 WeakPolarHBondContact CE2-OD1 3.48Å; Y163-D213 PolarHBondContact OH-N 2.95Å; Y163-D213 PolarHBondContact OH-OD1 3.41Å; Y163-A530 HydrophobicContact CD1-CB 4.11Å; Y163-A530 HydrophobicContact CE1-CB 3.76Å | ||
| 164 | V | 91 | Very high | 91.3 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 7% | 0.073 | 20% | 0.195 | C | C | . | . | trans | -112.6 | 120.8 | 172.5 | -173.4 | 0 | 0 | 0 | 0 | 108.1 | L162 V168 R169 N175 K178 | L162-V164 PolarHBondContact O-N 2.87Å; V164-V168 HydrophobicContact CG1-CB 3.77Å; V164-V168 HydrophobicContact CG1-CG1 3.61Å; V164-R169 HydrophobicContact CB-CG 3.82Å; V164-R169 HydrophobicContact CG1-CG 3.65Å; V164-R169 PolarHBondContact O-NH1 3.38Å; V164-N175 WeakPolarHBondContact CG1-O 3.42Å; V164-K178 HydrophobicContact CG2-CD 4.16Å; V164-K178 HydrophobicContact CG2-CG 3.83Å | ||
| 165 | P | 91.3 | Very high | 90.7 | Very high | 40 Ų | 40 | 39.2 Ų | 39.2 | 26% | 0.26 | 20% | 0.195 | S | C | . | . | trans | -53.7 | 144.3 | 178.6 | -26.4 | 34.5 | 0 | 0 | 0 | 112.8 | Y163 E167 V168 R169 | Y163-P165 HydrophobicContact CE1-CB 4.25Å; Y163-P165 HydrophobicContact CE1-CG 4.06Å; P165-E167 PolarHBondContact O-N 3.07Å; P165-V168 HydrophobicContact CB-CG2 4.16Å; P165-V168 HydrophobicContact CG-CG2 4.29Å; P165-V168 WeakPolarHBondContact O-CA 3.4Å; P165-V168 WeakPolarHBondContact O-CB 3.17Å; P165-V168 PolarHBondContact O-N 2.74Å; P165-R169 WeakPolarHBondContact O-CG 3.38Å; P165-R169 PolarHBondContact O-N 3.39Å | ||
| 166 | L | 91.6 | Very high | 90.3 | Very high | 18 Ų | 18 | 45 Ų | 45 | 9% | 0.094 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -52.9 | -43.9 | -179.5 | 178.4 | 62.4 | 0 | 0 | 0 | 111.9 | V168 R169 E170 R221 M222 | L166-V168 VanDerWaalsContact C-N 3.25Å; L166-V168 PolarHBondContact O-N 3.07Å; L166-R169 VanDerWaalsContact CD1-NH2 3.35Å; L166-R169 PolarHBondContact O-N 2.76Å; L166-R169 VanDerWaalsContact O-N 3.09Å; L166-E170 HydrophobicContact CD1-CG 4.22Å; L166-E170 HydrophobicContact CG-CG 4.46Å; L166-E170 WeakPolarHBondContact O-CG 3.15Å; L166-E170 PolarHBondContact O-N 3.16Å; L166-R221 HydrophobicContact CD2-CG 4.05Å; L166-M222 HydrophobicContact CD2-CE 3.38Å |
| 167 | E | 90.2 | Very high | 89.9 | Confident | 53 Ų | 53 | 47.4 Ų | 47.4 | 25% | 0.248 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.3 | -41.3 | 176.7 | -64.6 | 87 | 165.7 | 0 | 0 | 112 | P165 E170 L171 S217 D218 | P165-E167 PolarHBondContact O-N 3.07Å; E167-E170 PolarHBondContact O-N 2.89Å; E167-L171 WeakPolarHBondContact O-CG 3.3Å; E167-L171 PolarHBondContact O-N 2.65Å; E167-S217 WeakPolarHBondContact OE1-CA 3.42Å; E167-S217 WeakPolarHBondContact OE1-CB 3.48Å; E167-D218 PolarHBondContact OE1-N 2.54Å |
| 168 | V | 90.2 | Very high | 89.5 | Confident | 54 Ų | 54 | 50.7 Ų | 50.7 | 33% | 0.327 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -70.7 | -38.8 | 179.4 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | V164 P165 L166 E170 L171 N175 | V164-V168 HydrophobicContact CG1-CB 3.77Å; V164-V168 HydrophobicContact CG1-CG1 3.61Å; P165-V168 HydrophobicContact CB-CG2 4.16Å; P165-V168 HydrophobicContact CG-CG2 4.29Å; P165-V168 WeakPolarHBondContact O-CA 3.4Å; P165-V168 WeakPolarHBondContact O-CB 3.17Å; P165-V168 PolarHBondContact O-N 2.74Å; L166-V168 VanDerWaalsContact C-N 3.25Å; L166-V168 PolarHBondContact O-N 3.07Å; V168-E170 VanDerWaalsContact C-N 3.28Å; V168-E170 PolarHBondContact O-N 3.08Å; V168-L171 PolarHBondContact O-N 3.42Å; V168-N175 HydrophobicContact CG1-CB 4.12Å; V168-N175 WeakPolarHBondContact O-CB 3.3Å; V168-N175 PolarHBondContact O-ND2 3.42Å |
| 169 | R | 90 | Very high | 89.2 | Confident | 37 Ų | 37 | 50.8 Ų | 50.8 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.1 | -30.6 | 176.4 | -61.2 | -168.1 | -51.3 | -111.6 | 5.9 | 112.4 | V164 P165 L166 D213 | V164-R169 HydrophobicContact CB-CG 3.82Å; V164-R169 HydrophobicContact CG1-CG 3.65Å; V164-R169 PolarHBondContact O-NH1 3.38Å; P165-R169 WeakPolarHBondContact O-CG 3.38Å; P165-R169 PolarHBondContact O-N 3.39Å; L166-R169 VanDerWaalsContact CD1-NH2 3.35Å; L166-R169 PolarHBondContact O-N 2.76Å; L166-R169 VanDerWaalsContact O-N 3.09Å; R169-D213 IonicContact CZ-OD1 2.87Å; R169-D213 VanDerWaalsContact CZ-OD1 3.28Å; R169-D213 IonicContact CZ-OD2 2.95Å; R169-D213 IonicContact NH1-OD1 2.66Å; R169-D213 PolarHBondContact NH1-OD1 3.23Å; R169-D213 IonicContact NH1-OD2 2.74Å; R169-D213 IonicContact NH2-OD1 3.6Å; R169-D213 PolarHBondContact NH2-OD1 3.43Å; R169-D213 IonicContact NH2-OD2 2.94Å; R169-D213 PolarHBondContact NH2-OD2 2.93Å |
| 170 | E | 89.4 | Confident | 88.9 | Confident | 107 Ų | 107 | 54.6 Ų | 54.6 | 50% | 0.5 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -77.8 | -25.7 | 177.9 | -73.3 | 175.6 | 174.2 | 0 | 0 | 113.7 | L166 E167 V168 A172 R221 | L166-E170 HydrophobicContact CD1-CG 4.22Å; L166-E170 HydrophobicContact CG-CG 4.46Å; L166-E170 WeakPolarHBondContact O-CG 3.15Å; L166-E170 PolarHBondContact O-N 3.16Å; E167-E170 PolarHBondContact O-N 2.89Å; V168-E170 VanDerWaalsContact C-N 3.28Å; V168-E170 PolarHBondContact O-N 3.08Å; E170-A172 VanDerWaalsContact C-N 3.31Å; E170-A172 PolarHBondContact O-N 2.92Å; E170-R221 IonicContact OE1-NE 3.94Å; E170-R221 WeakPolarHBondContact OE2-CD 3.39Å; E170-R221 IonicContact OE2-CZ 2.86Å; E170-R221 IonicContact OE2-NE 2.94Å; E170-R221 PolarHBondContact OE2-NE 3.14Å; E170-R221 IonicContact OE2-NH2 3.41Å |
| 171 | L | 89.9 | Confident | 88.8 | Confident | 118 Ų | 118 | 53.9 Ų | 53.9 | 62% | 0.618 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61.3 | -38.3 | 178.4 | -73.4 | 173.2 | 0 | 0 | 0 | 112.8 | I127 E167 V168 | I127-L171 HydrophobicContact CD1-CD1 3.88Å; E167-L171 WeakPolarHBondContact O-CG 3.3Å; E167-L171 PolarHBondContact O-N 2.65Å; V168-L171 PolarHBondContact O-N 3.42Å |
| 172 | A | 85.1 | Confident | 88.9 | Confident | 22 Ų | 22 | 52.9 Ų | 52.9 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | trans | -159.7 | 145.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E170 E174 N175 | E170-A172 VanDerWaalsContact C-N 3.31Å; E170-A172 PolarHBondContact O-N 2.92Å; A172-E174 HydrophobicContact CB-CG 4.01Å; A172-E174 VanDerWaalsContact CB-OE2 3.28Å; A172-E174 WeakPolarHBondContact CB-OE2 3.18Å; A172-E174 PolarHBondContact O-N 3.49Å; A172-N175 WeakPolarHBondContact O-CB 3.46Å; A172-N175 PolarHBondContact O-N 2.87Å | ||
| 173 | K | 82 | Confident | 88.9 | Confident | 167 Ų | 167 | 52.8 Ų | 52.8 | 73% | 0.726 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -63 | -30.3 | -176.8 | -70.2 | -177.1 | -179.3 | 176.8 | 0 | 112.6 | N175 R176 | K173-N175 PolarHBondContact O-N 3.38Å; K173-R176 VanDerWaalsContact O-CD 3.29Å; K173-R176 WeakPolarHBondContact O-CD 3.23Å; K173-R176 WeakPolarHBondContact O-CG 3.33Å |
| 174 | E | 81.5 | Confident | 89 | Confident | 122 Ų | 122 | 52.1 Ų | 52.1 | 57% | 0.57 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -68.8 | -18.4 | 177 | 59 | -94.5 | -134.3 | 0 | 0 | 113.6 | A172 R176 | A172-E174 HydrophobicContact CB-CG 4.01Å; A172-E174 VanDerWaalsContact CB-OE2 3.28Å; A172-E174 WeakPolarHBondContact CB-OE2 3.18Å; A172-E174 PolarHBondContact O-N 3.49Å; E174-R176 PolarHBondContact O-N 2.9Å |
| 175 | N | 83.3 | Confident | 89.1 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -83.4 | 4.2 | -179.2 | -65.7 | -16 | 0 | 0 | 0 | 113.2 | L130 V164 V168 A172 K173 Q177 | L130-N175 WeakPolarHBondContact CD1-OD1 3.4Å; V164-N175 WeakPolarHBondContact CG1-O 3.42Å; V168-N175 HydrophobicContact CG1-CB 4.12Å; V168-N175 WeakPolarHBondContact O-CB 3.3Å; V168-N175 PolarHBondContact O-ND2 3.42Å; A172-N175 WeakPolarHBondContact O-CB 3.46Å; A172-N175 PolarHBondContact O-N 2.87Å; K173-N175 PolarHBondContact O-N 3.38Å; N175-Q177 PolarHBondContact O-N 3.24Å; N175-Q177 VanDerWaalsContact O-N 3.14Å |
| 176 | R | 85.1 | Confident | 89.1 | Confident | 124 Ų | 124 | 50.9 Ų | 50.9 | 47% | 0.468 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -58 | -30 | -175.6 | -77.5 | 171.8 | 178.7 | -156.5 | -5.8 | 113.7 | K173 E174 | K173-R176 VanDerWaalsContact O-CD 3.29Å; K173-R176 WeakPolarHBondContact O-CD 3.23Å; K173-R176 WeakPolarHBondContact O-CG 3.33Å; E174-R176 PolarHBondContact O-N 2.9Å |
| 177 | Q | 88.2 | Confident | 88.9 | Confident | 52 Ų | 52 | 51.2 Ų | 51.2 | 24% | 0.243 | 25% | 0.247 | C | C | . | . | trans | -150.8 | 153.7 | -177.9 | 65 | -174.3 | 11.5 | 0 | 0 | 111.6 | P9 N175 I179 N180 | P9-Q177 HydrophobicContact CB-CB 4.24Å; P9-Q177 HydrophobicContact CG-CB 3.94Å; P9-Q177 PolarHBondContact O-OE1 3.39Å; N175-Q177 PolarHBondContact O-N 3.24Å; N175-Q177 VanDerWaalsContact O-N 3.14Å; Q177-I179 WeakPolarHBondContact CG-O 3.39Å; Q177-I179 PolarHBondContact NE2-O 3.06Å; Q177-I179 PolarHBondContact OE1-O 3.01Å; Q177-N180 PolarHBondContact NE2-OD1 2.58Å | ||
| 178 | K | 85.8 | Confident | 88.6 | Confident | 69 Ų | 69 | 56.1 Ų | 56.1 | 30% | 0.3 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -83.1 | -28.4 | 175 | -77 | 162.8 | 175.9 | 167 | 0 | 113.5 | V108 L130 T161 L162 Y163 V164 | V108-K178 HydrophobicContact CG1-CD 4.32Å; L130-K178 HydrophobicContact CD2-CB 4.49Å; L130-K178 HydrophobicContact CD2-CG 4.43Å; T161-K178 PolarHBondContact O-NZ 3.22Å; L162-K178 HydrophobicContact CD2-CB 4.24Å; Y163-K178 PolarHBondContact O-NZ 3.27Å; V164-K178 HydrophobicContact CG2-CD 4.16Å; V164-K178 HydrophobicContact CG2-CG 3.83Å |
| 179 | I | 89.2 | Confident | 88.4 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.015 | 29% | 0.292 | C | S | . | . | trans | -139.1 | 166.7 | -173.7 | 66.3 | 167.3 | 0 | 0 | 0 | 110.2 | Y10 K135 I137 L162 Q177 L182 | Y10-I179 HydrophobicContact CD1-CG1 4.11Å; Y10-I179 HydrophobicContact CD2-CD1 4.23Å; Y10-I179 HydrophobicContact CD2-CG1 4.39Å; Y10-I179 HydrophobicContact CE2-CD1 4.48Å; Y10-I179 HydrophobicContact CG-CD1 4.32Å; Y10-I179 HydrophobicContact CG-CG1 3.98Å; K135-I179 WeakPolarHBondContact O-CB 3.26Å; I137-I179 HydrophobicContact CD1-CG2 3.97Å; L162-I179 HydrophobicContact CD1-CD1 3.38Å; L162-I179 HydrophobicContact CD1-CG1 4.15Å; L162-I179 HydrophobicContact CD2-CB 4.49Å; L162-I179 HydrophobicContact CD2-CD1 3.84Å; L162-I179 HydrophobicContact CD2-CG1 3.97Å; L162-I179 HydrophobicContact CD2-CG2 3.76Å; L162-I179 HydrophobicContact CG-CD1 4.21Å; Q177-I179 WeakPolarHBondContact CG-O 3.39Å; Q177-I179 PolarHBondContact NE2-O 3.06Å; Q177-I179 PolarHBondContact OE1-O 3.01Å; I179-L182 HydrophobicContact CD1-CB 3.86Å | ||
| 180 | N | 89.6 | Confident | 88.2 | Confident | 79 Ų | 79 | 60.1 Ų | 60.1 | 42% | 0.422 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -90.9 | -37.5 | 173.8 | -69.3 | -11.6 | 0 | 0 | 0 | 112.7 | Y10 L11 K135 Q177 | Y10-N180 WeakPolarHBondContact CB-O 3.33Å; L11-N180 PolarHBondContact N-O 3.47Å; K135-N180 HydrophobicContact CB-CB 4.05Å; K135-N180 WeakPolarHBondContact O-CA 3.28Å; K135-N180 PolarHBondContact O-N 2.88Å; Q177-N180 PolarHBondContact NE2-OD1 2.58Å |
| 181 | S | 92.5 | Very high | 87.9 | Confident | 9 Ų | 9 | 57.5 Ų | 57.5 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 139.8 | 178.9 | 69.9 | 0 | 0 | 0 | 0 | 113.9 | L11 K135 S136 I137 | L11-S181 CarbonylContact O-C 3.57Å; L11-S181 WeakPolarHBondContact O-CA 3.05Å; L11-S181 WeakPolarHBondContact O-CB 3.3Å; K135-S181 PolarHBondContact O-N 3.43Å; S136-S181 WeakPolarHBondContact CA-O 3.47Å; S136-S181 WeakPolarHBondContact CA-OG 3.42Å; S136-S181 WeakPolarHBondContact CB-OG 3.38Å; S136-S181 PolarHBondContact OG-OG 3.44Å; I137-S181 PolarHBondContact N-O 2.86Å |
| 182 | L | 94.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 120.8 | 166.5 | 175.8 | 62.5 | 0 | 0 | 0 | 108.4 | Y10 L11 V12 K13 M104 I137 L139 L155 A158 M159 L162 I179 | Y10-L182 HydrophobicContact CD2-CB 4.13Å; Y10-L182 HydrophobicContact CE2-CB 3.87Å; Y10-L182 HydrophobicContact CE2-CD2 4.38Å; L11-L182 PolarHBondContact O-N 3.47Å; V12-L182 WeakPolarHBondContact CA-O 3.43Å; K13-L182 PolarHBondContact N-O 3.48Å; M104-L182 HydrophobicContact CE-CD1 3.62Å; I137-L182 HydrophobicContact CB-CD1 4.41Å; I137-L182 HydrophobicContact CG2-CD1 4.46Å; L139-L182 HydrophobicContact CB-CD1 4.2Å; L155-L182 HydrophobicContact CD1-CD2 3.84Å; L155-L182 HydrophobicContact CD1-CG 4.43Å; A158-L182 HydrophobicContact CB-CD2 4.37Å; M159-L182 HydrophobicContact CE-CD2 4.41Å; M159-L182 HydrophobicContact CG-CD2 3.7Å; L162-L182 HydrophobicContact CD1-CB 4.36Å; L162-L182 HydrophobicContact CD1-CD2 3.91Å; I179-L182 HydrophobicContact CD1-CB 3.86Å |
| 183 | S | 94.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 144.6 | 176.1 | -58 | 0 | 0 | 0 | 0 | 112 | K13 Y23 I137 L138 L139 | K13-S183 WeakPolarHBondContact CE-OG 3.35Å; K13-S183 WeakPolarHBondContact CG-OG 3.31Å; K13-S183 CarbonylContact O-C 3.38Å; K13-S183 WeakPolarHBondContact O-CA 3.25Å; K13-S183 WeakPolarHBondContact O-CB 3.39Å; Y23-S183 VanDerWaalsContact CE1-OG 3.26Å; Y23-S183 WeakPolarHBondContact CE1-OG 3.44Å; Y23-S183 WeakPolarHBondContact OH-CB 3.46Å; Y23-S183 PolarHBondContact OH-OG 3.3Å; I137-S183 PolarHBondContact O-N 2.9Å; L138-S183 CarbonylContact C-O 3.57Å; L139-S183 PolarHBondContact N-O 3.01Å |
| 184 | L | 93.6 | Very high | 87.8 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 123.4 | 172.6 | -179.4 | 68.4 | 0 | 0 | 0 | 109 | K13 T14 C15 L139 L198 | K13-L184 PolarHBondContact O-N 2.89Å; T14-L184 CarbonylContact C-O 3.58Å; T14-L184 VanDerWaalsContact CA-O 3.3Å; T14-L184 WeakPolarHBondContact CA-O 3.34Å; T14-L184 HydrophobicContact CG2-CB 4.47Å; C15-L184 PolarHBondContact N-O 3.36Å; L139-L184 HydrophobicContact CD2-CD1 4.48Å; L139-L184 HydrophobicContact CG-CD1 4.46Å; L184-L198 HydrophobicContact CB-CD1 4.14Å |
| 185 | W | 94.1 | Very high | 88 | Confident | 20 Ų | 20 | 46.8 Ų | 46.8 | 8% | 0.076 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 136.5 | 169.8 | 179 | 82 | 0 | 0 | 0 | 110.1 | C15 A16 P37 D39 L40 L138 L139 A140 A187 | C15-W185 VanDerWaalsContact O-CA 3.27Å; C15-W185 WeakPolarHBondContact O-CA 3.02Å; A16-W185 PolarHBondContact O-NE1 3.49Å; P37-W185 HydrophobicContact CB-CH2 3.2Å; P37-W185 HydrophobicContact CB-CZ2 4.21Å; P37-W185 HydrophobicContact CB-CZ3 3.42Å; P37-W185 VanDerWaalsContact CB-CZ3 3.42Å; P37-W185 HydrophobicContact CG-CE3 4.11Å; P37-W185 HydrophobicContact CG-CH2 3.64Å; P37-W185 HydrophobicContact CG-CZ3 3.23Å; D39-W185 HydrophobicContact CB-CH2 4.34Å; D39-W185 HydrophobicContact CB-CZ2 3.62Å; L40-W185 HydrophobicContact CD2-CD2 4.42Å; L138-W185 HydrophobicContact CD1-CB 3.93Å; L138-W185 HydrophobicContact CD2-CB 4.26Å; L138-W185 HydrophobicContact CG-CB 4.07Å; L139-W185 WeakPolarHBondContact O-CB 3.33Å; L139-W185 PolarHBondContact O-N 3.45Å; A140-W185 HydrophobicContact CB-CB 3.9Å; A140-W185 HydrophobicContact CB-CD2 4.39Å; A140-W185 HydrophobicContact CB-CE3 4.23Å; A140-W185 HydrophobicContact CB-CG 4.28Å; W185-A187 HydrophobicContact CH2-CB 4.49Å |
| 186 | C | 90.8 | Very high | 88.1 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 4% | 0.041 | 28% | 0.281 | C | S | . | . | trans | -152.3 | 156.8 | 172.2 | 61.5 | 0 | 0 | 0 | 0 | 110.9 | C15 A16 A190 M191 S194 | C15-C186 PolarHBondContact O-N 3.47Å; C15-C186 VanDerWaalsContact O-N 3.13Å; A16-C186 VanDerWaalsContact CA-O 3.27Å; A16-C186 WeakPolarHBondContact CA-O 3.44Å; C186-A190 HydrophobicContact CB-CB 4.46Å; C186-M191 WeakPolarHBondContact SG-CE 3.46Å; C186-S194 WeakPolarHBondContact CB-OG 3.4Å; C186-S194 VanDerWaalsContact SG-CB 3.6Å | ||
| 187 | A | 86.8 | Confident | 88.1 | Confident | 24 Ų | 24 | 49.3 Ų | 49.3 | 20% | 0.198 | 26% | 0.263 | C | S | . | . | trans | -60.7 | 154.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | W185 D189 A190 M191 | W185-A187 HydrophobicContact CH2-CB 4.49Å; A187-D189 VanDerWaalsContact C-N 3.28Å; A187-D189 WeakPolarHBondContact CB-OD1 3.33Å; A187-D189 PolarHBondContact O-N 3.26Å; A187-A190 HydrophobicContact CB-CB 4.35Å; A187-A190 PolarHBondContact O-N 3.01Å; A187-A190 VanDerWaalsContact O-N 3.09Å; A187-M191 PolarHBondContact O-N 2.99Å | ||
| 188 | H | 85.1 | Confident | 88.3 | Confident | 157 Ų | 157 | 47.4 Ų | 47.4 | 73% | 0.727 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -62.6 | -34 | -175.4 | -173.7 | -74.9 | 0 | 0 | 0 | 112.9 | A16 M191 | A16-H188 HydrophobicContact CB-CB 4.37Å; H188-M191 WeakPolarHBondContact O-CB 3.14Å |
| 189 | D | 85.6 | Confident | 88.5 | Confident | 147 Ų | 147 | 46.7 Ų | 46.7 | 79% | 0.786 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -24.7 | 175.9 | 59.9 | -13.2 | 0 | 0 | 0 | 113.1 | A187 | A187-D189 VanDerWaalsContact C-N 3.28Å; A187-D189 WeakPolarHBondContact CB-OD1 3.33Å; A187-D189 PolarHBondContact O-N 3.26Å |
| 190 | A | 84.9 | Confident | 88.7 | Confident | 27 Ų | 27 | 47.1 Ų | 47.1 | 22% | 0.223 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -1.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | C186 A187 T192 S193 S194 | C186-A190 HydrophobicContact CB-CB 4.46Å; A187-A190 HydrophobicContact CB-CB 4.35Å; A187-A190 PolarHBondContact O-N 3.01Å; A187-A190 VanDerWaalsContact O-N 3.09Å; A190-T192 PolarHBondContact O-N 3.27Å; A190-T192 VanDerWaalsContact O-N 3.08Å; A190-S193 PolarHBondContact O-N 2.9Å; A190-S193 VanDerWaalsContact O-N 3.15Å; A190-S193 PolarHBondContact O-OG 3.36Å; A190-S194 WeakPolarHBondContact O-CB 3.48Å; A190-S194 PolarHBondContact O-N 3.46Å; A190-S194 PolarHBondContact O-OG 3.06Å |
| 191 | M | 83.7 | Confident | 88.9 | Confident | 52 Ų | 52 | 43.4 Ų | 43.4 | 26% | 0.256 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -49.7 | -42.7 | -173.6 | -157.7 | 82.6 | -109.1 | 0 | 0 | 113.7 | T14 A16 C186 A187 H188 A195 | T14-M191 VanDerWaalsContact C-CE 3.48Å; T14-M191 HydrophobicContact CG2-CE 4.22Å; T14-M191 WeakPolarHBondContact OG1-CE 3.46Å; A16-M191 HydrophobicContact CB-SD 4.34Å; C186-M191 WeakPolarHBondContact SG-CE 3.46Å; A187-M191 PolarHBondContact O-N 2.99Å; H188-M191 WeakPolarHBondContact O-CB 3.14Å; M191-A195 VanDerWaalsContact O-CB 3.27Å; M191-A195 WeakPolarHBondContact O-CB 3.46Å; M191-A195 PolarHBondContact O-N 2.95Å |
| 192 | T | 85 | Confident | 89 | Confident | 94 Ų | 94 | 44.5 Ų | 44.5 | 58% | 0.577 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -72.8 | -44.6 | -177.9 | -58 | 0 | 0 | 0 | 0 | 112.5 | A190 A195 R196 | A190-T192 PolarHBondContact O-N 3.27Å; A190-T192 VanDerWaalsContact O-N 3.08Å; T192-A195 PolarHBondContact O-N 3.44Å; T192-R196 PolarHBondContact O-N 3.28Å |
| 193 | S | 83.9 | Confident | 89.1 | Confident | 50 Ų | 50 | 44.6 Ų | 44.6 | 35% | 0.35 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.4 | -42.1 | 177.2 | 50 | 0 | 0 | 0 | 0 | 110.5 | A190 A195 R196 A197 | A190-S193 PolarHBondContact O-N 2.9Å; A190-S193 VanDerWaalsContact O-N 3.15Å; A190-S193 PolarHBondContact O-OG 3.36Å; S193-A195 VanDerWaalsContact C-N 3.31Å; S193-A195 PolarHBondContact O-N 3.45Å; S193-R196 WeakPolarHBondContact O-CB 3.43Å; S193-R196 PolarHBondContact O-N 3.36Å; S193-R196 VanDerWaalsContact O-N 3.16Å; S193-A197 WeakPolarHBondContact O-CB 3.36Å; S193-A197 PolarHBondContact O-N 3.28Å |
| 194 | S | 86.1 | Confident | 89.2 | Confident | 19 Ų | 19 | 44.6 Ų | 44.6 | 13% | 0.133 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.8 | -33.6 | 174.7 | -60.4 | 0 | 0 | 0 | 0 | 112.7 | C186 A190 A197 L198 | C186-S194 WeakPolarHBondContact CB-OG 3.4Å; C186-S194 VanDerWaalsContact SG-CB 3.6Å; A190-S194 WeakPolarHBondContact O-CB 3.48Å; A190-S194 PolarHBondContact O-N 3.46Å; A190-S194 PolarHBondContact O-OG 3.06Å; S194-A197 WeakPolarHBondContact O-CB 3.42Å; S194-A197 PolarHBondContact O-N 3.06Å; S194-L198 VanDerWaalsContact O-CB 3.24Å; S194-L198 WeakPolarHBondContact O-CB 3.12Å; S194-L198 PolarHBondContact O-N 2.85Å |
| 195 | A | 87 | Confident | 89.4 | Confident | 42 Ų | 42 | 44.4 Ų | 44.4 | 35% | 0.347 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.7 | -39.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T14 M191 T192 S193 L198 A199 | T14-A195 HydrophobicContact CG2-CB 4.49Å; M191-A195 VanDerWaalsContact O-CB 3.27Å; M191-A195 WeakPolarHBondContact O-CB 3.46Å; M191-A195 PolarHBondContact O-N 2.95Å; T192-A195 PolarHBondContact O-N 3.44Å; S193-A195 VanDerWaalsContact C-N 3.31Å; S193-A195 PolarHBondContact O-N 3.45Å; A195-L198 PolarHBondContact O-N 3.34Å; A195-A199 WeakPolarHBondContact O-CB 3.4Å; A195-A199 PolarHBondContact O-N 3.23Å |
| 196 | R | 85.5 | Confident | 89.5 | Confident | 168 Ų | 168 | 43.5 Ų | 43.5 | 63% | 0.634 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -66 | -43.7 | 173.7 | -66.2 | 179.9 | -168.3 | 163.3 | 3.5 | 111.7 | T192 S193 L198 A199 L200 | T192-R196 PolarHBondContact O-N 3.28Å; S193-R196 WeakPolarHBondContact O-CB 3.43Å; S193-R196 PolarHBondContact O-N 3.36Å; S193-R196 VanDerWaalsContact O-N 3.16Å; R196-L198 VanDerWaalsContact C-N 3.28Å; R196-L198 PolarHBondContact O-N 3.1Å; R196-A199 PolarHBondContact O-N 3.35Å; R196-L200 WeakPolarHBondContact O-CB 3.3Å; R196-L200 PolarHBondContact O-N 3.04Å |
| 197 | A | 85.2 | Confident | 89.8 | Confident | 10 Ų | 10 | 43.2 Ų | 43.2 | 8% | 0.083 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55 | -46 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | S193 S194 L200 A201 F554 | S193-A197 WeakPolarHBondContact O-CB 3.36Å; S193-A197 PolarHBondContact O-N 3.28Å; S194-A197 WeakPolarHBondContact O-CB 3.42Å; S194-A197 PolarHBondContact O-N 3.06Å; A197-L200 PolarHBondContact O-N 3.33Å; A197-A201 WeakPolarHBondContact O-CB 3.39Å; A197-A201 PolarHBondContact O-N 2.99Å; A197-F554 HydrophobicContact CB-CD1 3.79Å; A197-F554 HydrophobicContact CB-CE1 3.09Å; A197-F554 HydrophobicContact CB-CZ 3.68Å |
| 198 | L | 91 | Very high | 90.3 | Very high | 11 Ų | 11 | 42.2 Ų | 42.2 | 6% | 0.058 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.4 | -42.8 | 178.2 | -169.2 | 67.6 | 0 | 0 | 0 | 112.4 | V12 K13 T14 L155 L184 S194 A195 R196 L200 A201 T202 | V12-L198 HydrophobicContact CG1-CD1 3.2Å; V12-L198 HydrophobicContact CG1-CD2 3.82Å; V12-L198 HydrophobicContact CG1-CG 3.52Å; K13-L198 VanDerWaalsContact CA-CD2 3.44Å; K13-L198 WeakPolarHBondContact O-CD2 3.36Å; T14-L198 HydrophobicContact CG2-CB 4.16Å; T14-L198 HydrophobicContact CG2-CD2 3.63Å; T14-L198 HydrophobicContact CG2-CG 4.49Å; L155-L198 HydrophobicContact CD1-CD1 4.25Å; L155-L198 HydrophobicContact CD2-CD1 3.5Å; L155-L198 HydrophobicContact CG-CD1 4.49Å; L184-L198 HydrophobicContact CB-CD1 4.14Å; S194-L198 VanDerWaalsContact O-CB 3.24Å; S194-L198 WeakPolarHBondContact O-CB 3.12Å; S194-L198 PolarHBondContact O-N 2.85Å; A195-L198 PolarHBondContact O-N 3.34Å; R196-L198 VanDerWaalsContact C-N 3.28Å; R196-L198 PolarHBondContact O-N 3.1Å; L198-L200 VanDerWaalsContact C-N 3.35Å; L198-A201 PolarHBondContact O-N 2.93Å; L198-T202 VanDerWaalsContact O-CB 3.29Å; L198-T202 WeakPolarHBondContact O-CB 3.45Å; L198-T202 PolarHBondContact O-N 3.48Å; L198-T202 PolarHBondContact O-OG1 2.89Å |
| 199 | A | 90.7 | Very high | 90.9 | Very high | 55 Ų | 55 | 35 Ų | 35 | 46% | 0.455 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.8 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A195 R196 T202 A203 | A195-A199 WeakPolarHBondContact O-CB 3.4Å; A195-A199 PolarHBondContact O-N 3.23Å; R196-A199 PolarHBondContact O-N 3.35Å; A199-T202 PolarHBondContact O-N 3Å; A199-A203 WeakPolarHBondContact O-CB 3.09Å; A199-A203 PolarHBondContact O-N 3.32Å |
| 200 | L | 92.5 | Very high | 91.4 | Very high | 12 Ų | 12 | 28 Ų | 28 | 6% | 0.063 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.1 | -49.1 | 175.5 | 174.3 | 56.6 | 0 | 0 | 0 | 112.1 | L152 R196 A197 L198 T202 A203 I204 L336 T540 L545 L551 F554 | L152-L200 HydrophobicContact CD2-CD2 4.45Å; R196-L200 WeakPolarHBondContact O-CB 3.3Å; R196-L200 PolarHBondContact O-N 3.04Å; A197-L200 PolarHBondContact O-N 3.33Å; L198-L200 VanDerWaalsContact C-N 3.35Å; L200-T202 VanDerWaalsContact C-N 3.3Å; L200-T202 PolarHBondContact O-N 2.49Å; L200-A203 PolarHBondContact O-N 3.15Å; L200-I204 HydrophobicContact CD1-CD1 3.78Å; L200-I204 HydrophobicContact CD1-CG1 4.08Å; L200-I204 HydrophobicContact CG-CD1 4Å; L200-I204 WeakPolarHBondContact O-CG1 3.47Å; L200-I204 PolarHBondContact O-N 3.15Å; L200-L336 HydrophobicContact CD1-CD1 3.67Å; L200-T540 HydrophobicContact CD1-CG2 3.92Å; L200-L545 HydrophobicContact CD1-CD1 4.01Å; L200-L545 HydrophobicContact CD1-CD2 4.01Å; L200-L545 HydrophobicContact CD1-CG 4.39Å; L200-L545 HydrophobicContact CD2-CD1 3.32Å; L200-L545 HydrophobicContact CD2-CD2 3.88Å; L200-L545 HydrophobicContact CD2-CG 4.22Å; L200-L545 HydrophobicContact CG-CD1 4.26Å; L200-L551 HydrophobicContact CD2-CD2 4.22Å; L200-F554 HydrophobicContact CD2-CE2 3.94Å; L200-F554 HydrophobicContact CD2-CZ 3.74Å |
| 201 | A | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L152 L155 L156 M159 A197 L198 A203 I204 E205 | L152-A201 HydrophobicContact CD1-CB 3.79Å; L155-A201 HydrophobicContact CB-CB 4.47Å; L155-A201 HydrophobicContact CD2-CB 3.33Å; L155-A201 HydrophobicContact CG-CB 3.81Å; L156-A201 HydrophobicContact CD2-CB 4.21Å; M159-A201 HydrophobicContact SD-CB 4.32Å; A197-A201 WeakPolarHBondContact O-CB 3.39Å; A197-A201 PolarHBondContact O-N 2.99Å; L198-A201 PolarHBondContact O-N 2.93Å; A201-A203 VanDerWaalsContact C-N 3.35Å; A201-A203 PolarHBondContact O-N 2.97Å; A201-I204 PolarHBondContact O-N 2.99Å; A201-E205 WeakPolarHBondContact O-CB 3.07Å; A201-E205 PolarHBondContact O-N 2.84Å |
| 202 | T | 95 | Very high | 92.6 | Very high | 33 Ų | 33 | 24.5 Ų | 24.5 | 20% | 0.202 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.6 | -40.6 | 176.9 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | V8 L198 A199 L200 S206 | V8-T202 HydrophobicContact CB-CG2 4.39Å; V8-T202 HydrophobicContact CG2-CG2 3.95Å; L198-T202 VanDerWaalsContact O-CB 3.29Å; L198-T202 WeakPolarHBondContact O-CB 3.45Å; L198-T202 PolarHBondContact O-N 3.48Å; L198-T202 PolarHBondContact O-OG1 2.89Å; A199-T202 PolarHBondContact O-N 3Å; L200-T202 VanDerWaalsContact C-N 3.3Å; L200-T202 PolarHBondContact O-N 2.49Å; T202-S206 VanDerWaalsContact O-CB 3.31Å; T202-S206 WeakPolarHBondContact O-CB 3.3Å; T202-S206 PolarHBondContact O-N 2.73Å; T202-S206 PolarHBondContact O-OG 3.04Å |
| 203 | A | 95.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 20 Ų | 20 | 2% | 0.017 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.5 | -49.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A199 L200 A201 E205 S206 G207 V332 L335 L336 | A199-A203 WeakPolarHBondContact O-CB 3.09Å; A199-A203 PolarHBondContact O-N 3.32Å; L200-A203 PolarHBondContact O-N 3.15Å; A201-A203 VanDerWaalsContact C-N 3.35Å; A201-A203 PolarHBondContact O-N 2.97Å; A203-E205 VanDerWaalsContact C-N 3.34Å; A203-E205 PolarHBondContact O-N 2.97Å; A203-S206 PolarHBondContact O-N 3.35Å; A203-G207 PolarHBondContact O-N 2.63Å; A203-V332 HydrophobicContact CB-CG1 4.3Å; A203-L335 HydrophobicContact CB-CB 3.98Å; A203-L335 HydrophobicContact CB-CD1 4.1Å; A203-L336 HydrophobicContact CB-CD1 4.15Å; A203-L336 HydrophobicContact CB-CD2 3.61Å; A203-L336 HydrophobicContact CB-CG 3.68Å |
| 204 | I | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -55.7 | -50.1 | 175.8 | -70.1 | 169.6 | 0 | 0 | 0 | 110 | L156 L200 A201 S206 G207 R208 A537 T540 | L156-I204 HydrophobicContact CD1-CD1 4.48Å; L156-I204 HydrophobicContact CD1-CG2 4.3Å; L156-I204 HydrophobicContact CD2-CB 3.95Å; L156-I204 HydrophobicContact CD2-CG2 3.64Å; L200-I204 HydrophobicContact CD1-CD1 3.78Å; L200-I204 HydrophobicContact CD1-CG1 4.08Å; L200-I204 HydrophobicContact CG-CD1 4Å; L200-I204 WeakPolarHBondContact O-CG1 3.47Å; L200-I204 PolarHBondContact O-N 3.15Å; A201-I204 PolarHBondContact O-N 2.99Å; I204-S206 PolarHBondContact O-N 2.93Å; I204-G207 PolarHBondContact O-N 2.67Å; I204-R208 HydrophobicContact CG2-CG 4.26Å; I204-R208 VanDerWaalsContact O-CG 3.29Å; I204-R208 WeakPolarHBondContact O-CG 3.29Å; I204-R208 PolarHBondContact O-N 2.94Å; I204-A537 HydrophobicContact CG2-CB 3.72Å; I204-T540 HydrophobicContact CD1-CG2 3.95Å; I204-T540 HydrophobicContact CG1-CG2 3.74Å |
| 205 | E | 97 | Very high | 94.3 | Very high | 4 Ų | 4 | 16.8 Ų | 16.8 | 2% | 0.019 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.5 | -36.4 | -178 | -174.9 | 67.4 | -168.3 | 0 | 0 | 112.6 | V8 M159 Q160 A201 A203 G207 R208 A209 R212 | V8-E205 HydrophobicContact CG2-CB 4.28Å; V8-E205 HydrophobicContact CG2-CG 4.25Å; M159-E205 HydrophobicContact CB-CB 4.26Å; M159-E205 HydrophobicContact CB-CG 3.76Å; M159-E205 HydrophobicContact SD-CB 3.93Å; M159-E205 HydrophobicContact SD-CG 4.34Å; Q160-E205 WeakPolarHBondContact CA-OE1 3.42Å; A201-E205 WeakPolarHBondContact O-CB 3.07Å; A201-E205 PolarHBondContact O-N 2.84Å; A203-E205 VanDerWaalsContact C-N 3.34Å; A203-E205 PolarHBondContact O-N 2.97Å; E205-G207 VanDerWaalsContact C-N 3.29Å; E205-G207 PolarHBondContact O-N 2.89Å; E205-R208 PolarHBondContact O-N 3.35Å; E205-R208 IonicContact OE2-CZ 3.72Å; E205-R208 IonicContact OE2-NE 2.88Å; E205-R208 IonicContact OE2-NH1 3.73Å; E205-R208 PolarHBondContact OE2-NH1 3.37Å; E205-A209 VanDerWaalsContact O-CB 3.3Å; E205-A209 WeakPolarHBondContact O-CB 3.39Å; E205-A209 PolarHBondContact O-N 3.11Å; E205-R212 IonicContact OE1-CZ 2.69Å; E205-R212 VanDerWaalsContact OE1-CZ 3.28Å; E205-R212 IonicContact OE1-NH1 3.75Å; E205-R212 PolarHBondContact OE1-NH1 3.39Å; E205-R212 IonicContact OE1-NH2 2.74Å; E205-R212 PolarHBondContact OE1-NH2 3.19Å; E205-R212 VanDerWaalsContact OE1-NH2 3.08Å; E205-R212 IonicContact OE2-CZ 2.63Å; E205-R212 IonicContact OE2-NH1 2.65Å; E205-R212 IonicContact OE2-NH2 3.09Å; E205-R212 PolarHBondContact OE2-NH2 3.24Å; E205-R212 VanDerWaalsContact OE2-NH2 3.16Å |
| 206 | S | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.8 | -43.4 | 173.4 | -59.8 | 0 | 0 | 0 | 0 | 110.8 | T202 A203 I204 A209 V210 | T202-S206 VanDerWaalsContact O-CB 3.31Å; T202-S206 WeakPolarHBondContact O-CB 3.3Å; T202-S206 PolarHBondContact O-N 2.73Å; T202-S206 PolarHBondContact O-OG 3.04Å; A203-S206 PolarHBondContact O-N 3.35Å; I204-S206 PolarHBondContact O-N 2.93Å; S206-A209 PolarHBondContact O-N 2.89Å; S206-V210 PolarHBondContact O-N 3.38Å; S206-V210 VanDerWaalsContact O-N 3.07Å |
| 207 | G | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.8 | -42.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A203 I204 E205 A209 V210 A211 G328 | A203-G207 PolarHBondContact O-N 2.63Å; I204-G207 PolarHBondContact O-N 2.67Å; E205-G207 VanDerWaalsContact C-N 3.29Å; E205-G207 PolarHBondContact O-N 2.89Å; G207-A209 PolarHBondContact O-N 3.25Å; G207-V210 PolarHBondContact O-N 3.37Å; G207-A211 PolarHBondContact O-N 3.31Å; G207-G328 WeakPolarHBondContact CA-O 3.34Å; G207-G328 WeakPolarHBondContact O-CA 3.27Å |
| 208 | R | 97.5 | Very high | 95.5 | Very high | 4 Ų | 4 | 9.8 Ų | 9.8 | 2% | 0.015 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63.6 | -41.1 | 175.4 | -68.3 | 171.6 | 72.4 | -159.5 | 13.9 | 111.3 | I204 E205 A211 R212 W532 V536 | I204-R208 HydrophobicContact CG2-CG 4.26Å; I204-R208 VanDerWaalsContact O-CG 3.29Å; I204-R208 WeakPolarHBondContact O-CG 3.29Å; I204-R208 PolarHBondContact O-N 2.94Å; E205-R208 PolarHBondContact O-N 3.35Å; E205-R208 IonicContact OE2-CZ 3.72Å; E205-R208 IonicContact OE2-NE 2.88Å; E205-R208 IonicContact OE2-NH1 3.73Å; E205-R208 PolarHBondContact OE2-NH1 3.37Å; R208-A211 CarbonylContact O-C 3.6Å; R208-A211 WeakPolarHBondContact O-CA 3.31Å; R208-A211 WeakPolarHBondContact O-CB 3.21Å; R208-A211 PolarHBondContact O-N 3.42Å; R208-A211 VanDerWaalsContact O-N 3.14Å; R208-R212 VanDerWaalsContact O-CG 3.22Å; R208-R212 WeakPolarHBondContact O-CG 3.43Å; R208-R212 PolarHBondContact O-N 3.39Å; R208-W532 VanDerWaalsContact CZ-O 3.32Å; R208-W532 PolarHBondContact NE-O 2.78Å; R208-W532 PolarHBondContact NH2-O 3.27Å; R208-V536 HydrophobicContact CG-CB 3.94Å; R208-V536 HydrophobicContact CG-CG1 4.12Å |
| 209 | A | 96.5 | Very high | 95.7 | Very high | 4 Ų | 4 | 10.6 Ų | 10.6 | 3% | 0.033 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65 | -40.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F6 Y163 E205 S206 G207 A211 R212 D213 | F6-A209 HydrophobicContact CD1-CB 3.9Å; F6-A209 HydrophobicContact CE1-CB 3.15Å; F6-A209 HydrophobicContact CZ-CB 3.71Å; Y163-A209 HydrophobicContact CD2-CB 4.02Å; Y163-A209 HydrophobicContact CE2-CB 4.2Å; E205-A209 VanDerWaalsContact O-CB 3.3Å; E205-A209 WeakPolarHBondContact O-CB 3.39Å; E205-A209 PolarHBondContact O-N 3.11Å; S206-A209 PolarHBondContact O-N 2.89Å; G207-A209 PolarHBondContact O-N 3.25Å; A209-A211 VanDerWaalsContact C-N 3.34Å; A209-A211 PolarHBondContact O-N 2.97Å; A209-R212 PolarHBondContact O-N 2.94Å; A209-R212 VanDerWaalsContact O-N 3.15Å; A209-D213 VanDerWaalsContact O-CG 3.31Å; A209-D213 PolarHBondContact O-N 3.34Å |
| 210 | V | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -58 | -46.3 | 168.3 | 163.4 | 0 | 0 | 0 | 0 | 111.2 | F6 S206 G207 R212 D213 I214 Y230 T234 V327 K331 | F6-V210 HydrophobicContact CB-CG2 3.96Å; F6-V210 HydrophobicContact CD1-CG2 4.36Å; F6-V210 HydrophobicContact CG-CG2 4.32Å; S206-V210 PolarHBondContact O-N 3.38Å; S206-V210 VanDerWaalsContact O-N 3.07Å; G207-V210 PolarHBondContact O-N 3.37Å; V210-R212 VanDerWaalsContact C-N 3.27Å; V210-R212 PolarHBondContact O-N 3.28Å; V210-D213 PolarHBondContact O-N 2.82Å; V210-I214 HydrophobicContact CG1-CD1 4.15Å; V210-I214 PolarHBondContact O-N 2.71Å; V210-Y230 HydrophobicContact CG1-CE1 4.05Å; V210-Y230 HydrophobicContact CG2-CE1 4.36Å; V210-T234 HydrophobicContact CG2-CG2 3.95Å; V210-V327 HydrophobicContact CG1-CB 4.29Å; V210-V327 HydrophobicContact CG1-CG1 3.64Å; V210-K331 HydrophobicContact CG2-CB 4.43Å; V210-K331 HydrophobicContact CG2-CG 4.18Å |
| 211 | A | 97.6 | Very high | 96 | Very high | 4 Ų | 4 | 14.4 Ų | 14.4 | 3% | 0.033 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.9 | -34 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G207 R208 A209 G215 A324 V536 | G207-A211 PolarHBondContact O-N 3.31Å; R208-A211 CarbonylContact O-C 3.6Å; R208-A211 WeakPolarHBondContact O-CA 3.31Å; R208-A211 WeakPolarHBondContact O-CB 3.21Å; R208-A211 PolarHBondContact O-N 3.42Å; R208-A211 VanDerWaalsContact O-N 3.14Å; A209-A211 VanDerWaalsContact C-N 3.34Å; A209-A211 PolarHBondContact O-N 2.97Å; A211-G215 WeakPolarHBondContact O-CA 3.22Å; A211-G215 PolarHBondContact O-N 2.94Å; A211-A324 HydrophobicContact CB-CB 4.28Å; A211-A324 WeakPolarHBondContact CB-O 3.36Å; A211-A324 WeakPolarHBondContact O-CB 2.98Å; A211-V536 HydrophobicContact CB-CG2 4.36Å |
| 212 | R | 96.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 14.6 Ų | 14.6 | 1% | 0.011 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -74.2 | -38.6 | 176.7 | -69 | -176.4 | -159.3 | 108.2 | -9.4 | 112.9 | Y163 E205 R208 A209 V210 G216 P531 W532 | Y163-R212 HydrophobicContact CD2-CB 4.45Å; Y163-R212 HydrophobicContact CE1-CB 3.95Å; Y163-R212 HydrophobicContact CE2-CB 3.73Å; Y163-R212 VanDerWaalsContact CZ-CB 3.44Å; Y163-R212 WeakPolarHBondContact OH-CB 3.34Å; E205-R212 IonicContact OE1-CZ 2.69Å; E205-R212 VanDerWaalsContact OE1-CZ 3.28Å; E205-R212 IonicContact OE1-NH1 3.75Å; E205-R212 PolarHBondContact OE1-NH1 3.39Å; E205-R212 IonicContact OE1-NH2 2.74Å; E205-R212 PolarHBondContact OE1-NH2 3.19Å; E205-R212 VanDerWaalsContact OE1-NH2 3.08Å; E205-R212 IonicContact OE2-CZ 2.63Å; E205-R212 IonicContact OE2-NH1 2.65Å; E205-R212 IonicContact OE2-NH2 3.09Å; E205-R212 PolarHBondContact OE2-NH2 3.24Å; E205-R212 VanDerWaalsContact OE2-NH2 3.16Å; R208-R212 VanDerWaalsContact O-CG 3.22Å; R208-R212 WeakPolarHBondContact O-CG 3.43Å; R208-R212 PolarHBondContact O-N 3.39Å; A209-R212 PolarHBondContact O-N 2.94Å; A209-R212 VanDerWaalsContact O-N 3.15Å; V210-R212 VanDerWaalsContact C-N 3.27Å; V210-R212 PolarHBondContact O-N 3.28Å; R212-G216 WeakPolarHBondContact O-CA 3.37Å; R212-G216 PolarHBondContact O-N 3.39Å; R212-P531 HydrophobicContact CB-CG 4.38Å; R212-P531 WeakPolarHBondContact CD-O 3.24Å; R212-P531 HydrophobicContact CG-CG 4.24Å; R212-P531 WeakPolarHBondContact CG-O 3.28Å; R212-P531 PolarHBondContact NE-O 2.88Å; R212-W532 PolarHBondContact NE-O 3.49Å; R212-W532 PolarHBondContact NH2-O 3.09Å |
| 213 | D | 96.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.6 | -50.2 | 175.4 | -75 | -11.3 | 0 | 0 | 0 | 110 | Y163 R169 A209 V210 S217 Y230 | Y163-D213 WeakPolarHBondContact CE2-OD1 3.48Å; Y163-D213 PolarHBondContact OH-N 2.95Å; Y163-D213 PolarHBondContact OH-OD1 3.41Å; R169-D213 IonicContact CZ-OD1 2.87Å; R169-D213 VanDerWaalsContact CZ-OD1 3.28Å; R169-D213 IonicContact CZ-OD2 2.95Å; R169-D213 IonicContact NH1-OD1 2.66Å; R169-D213 PolarHBondContact NH1-OD1 3.23Å; R169-D213 IonicContact NH1-OD2 2.74Å; R169-D213 IonicContact NH2-OD1 3.6Å; R169-D213 PolarHBondContact NH2-OD1 3.43Å; R169-D213 IonicContact NH2-OD2 2.94Å; R169-D213 PolarHBondContact NH2-OD2 2.93Å; A209-D213 VanDerWaalsContact O-CG 3.31Å; A209-D213 PolarHBondContact O-N 3.34Å; V210-D213 PolarHBondContact O-N 2.82Å; D213-S217 VanDerWaalsContact O-CB 3.25Å; D213-S217 WeakPolarHBondContact O-CB 3.28Å; D213-S217 PolarHBondContact O-N 2.97Å; D213-S217 PolarHBondContact O-OG 3.18Å; D213-Y230 HydrophobicContact CB-CE1 4.46Å; D213-Y230 HydrophobicContact CB-CE2 3.93Å; D213-Y230 WeakPolarHBondContact CB-OH 3.26Å; D213-Y230 PolarHBondContact OD2-OH 2.88Å |
| 214 | I | 97.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66.4 | -61.8 | 177.5 | -64.5 | 170.6 | 0 | 0 | 0 | 109.3 | V210 G216 M222 I227 Y230 I231 K320 A324 V327 | V210-I214 HydrophobicContact CG1-CD1 4.15Å; V210-I214 PolarHBondContact O-N 2.71Å; I214-G216 PolarHBondContact O-N 2.98Å; I214-M222 HydrophobicContact CG1-SD 4.34Å; I214-I227 HydrophobicContact CD1-CG2 4.36Å; I214-I227 HydrophobicContact CG2-CD1 4.09Å; I214-I227 HydrophobicContact CG2-CG1 4.13Å; I214-I227 HydrophobicContact CG2-CG2 4.13Å; I214-Y230 HydrophobicContact CD1-CD1 4Å; I214-Y230 HydrophobicContact CD1-CE1 4.24Å; I214-Y230 HydrophobicContact CG1-CD1 3.86Å; I214-Y230 HydrophobicContact CG1-CE1 4.08Å; I214-I231 HydrophobicContact CD1-CG1 4.3Å; I214-K320 HydrophobicContact CG2-CD 4.34Å; I214-K320 WeakPolarHBondContact O-CE 3.49Å; I214-A324 HydrophobicContact CB-CB 3.8Å; I214-A324 HydrophobicContact CG2-CB 3.69Å; I214-V327 HydrophobicContact CD1-CB 3.99Å; I214-V327 HydrophobicContact CD1-CG1 3.85Å; I214-V327 HydrophobicContact CD1-CG2 4.08Å |
| 215 | G | 96.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -69.9 | -33.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115 | A211 | A211-G215 WeakPolarHBondContact O-CA 3.22Å; A211-G215 PolarHBondContact O-N 2.94Å |
| 216 | G | 94 | Very high | 96.5 | Very high | 19 Ų | 19 | 19 Ų | 19 | 20% | 0.196 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -83.3 | -26.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R212 I214 P531 | R212-G216 WeakPolarHBondContact O-CA 3.37Å; R212-G216 PolarHBondContact O-N 3.39Å; I214-G216 PolarHBondContact O-N 2.98Å; G216-P531 VanDerWaalsContact CA-CD 3.42Å |
| 217 | S | 94.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -74.1 | 154.7 | -173.2 | -56.3 | 0 | 0 | 0 | 0 | 113.3 | E167 D213 K320 | E167-S217 WeakPolarHBondContact OE1-CA 3.42Å; E167-S217 WeakPolarHBondContact OE1-CB 3.48Å; D213-S217 VanDerWaalsContact O-CB 3.25Å; D213-S217 WeakPolarHBondContact O-CB 3.28Å; D213-S217 PolarHBondContact O-N 2.97Å; D213-S217 PolarHBondContact O-OG 3.18Å; S217-K320 PolarHBondContact O-NZ 3.08Å |
| 218 | D | 94.3 | Very high | 96.6 | Very high | 53 Ų | 53 | 19.6 Ų | 19.6 | 28% | 0.283 | 10% | 0.103 | S | C | . | . | trans | -56.4 | 158.4 | 177.3 | 86.3 | 55.5 | 0 | 0 | 0 | 112.9 | E167 E220 R221 M222 | E167-D218 PolarHBondContact OE1-N 2.54Å; D218-E220 PolarHBondContact O-N 3.1Å; D218-E220 WeakPolarHBondContact OD1-CA 3.21Å; D218-E220 PolarHBondContact OD1-N 3.21Å; D218-R221 PolarHBondContact O-N 2.98Å; D218-R221 PolarHBondContact OD1-N 3.08Å; D218-R221 IonicContact OD1-NH1 3.16Å; D218-R221 IonicContact OD2-CZ 2.82Å; D218-R221 VanDerWaalsContact OD2-CZ 3.3Å; D218-R221 IonicContact OD2-NH1 3.59Å; D218-R221 PolarHBondContact OD2-NH1 3.36Å; D218-R221 IonicContact OD2-NH2 2.97Å; D218-M222 PolarHBondContact O-N 3.42Å; D218-M222 VanDerWaalsContact O-N 3.15Å | ||
| 219 | P | 94.6 | Very high | 96.7 | Very high | 28 Ų | 28 | 23 Ų | 23 | 18% | 0.182 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -19.1 | -168.5 | 30.6 | -34.9 | 0 | 0 | 0 | 113.5 | M222 S223 T299 L300 R351 | P219-M222 CarbonylContact O-C 3.46Å; P219-S223 WeakPolarHBondContact O-CA 3.32Å; P219-S223 PolarHBondContact O-N 3.15Å; P219-T299 WeakPolarHBondContact CB-O 3.34Å; P219-L300 HydrophobicContact CB-CB 3.81Å; P219-L300 HydrophobicContact CB-CD1 4.29Å; P219-L300 HydrophobicContact CB-CD2 4.38Å; P219-L300 HydrophobicContact CB-CG 4.39Å; P219-L300 HydrophobicContact CG-CD1 4.32Å; P219-L300 HydrophobicContact CG-CD2 4.4Å; P219-R351 VanDerWaalsContact C-NH2 3.27Å; P219-R351 PolarHBondContact O-NH2 2.77Å |
| 220 | E | 95.1 | Very high | 96.7 | Very high | 75 Ų | 75 | 24.1 Ų | 24.1 | 35% | 0.35 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -35.7 | 176.3 | -63.7 | -61.2 | 120.7 | 0 | 0 | 111.7 | D218 M222 R271 H272 R351 | D218-E220 PolarHBondContact O-N 3.1Å; D218-E220 WeakPolarHBondContact OD1-CA 3.21Å; D218-E220 PolarHBondContact OD1-N 3.21Å; E220-M222 PolarHBondContact O-N 2.9Å; E220-R271 IonicContact OE1-NH2 3.82Å; E220-R271 IonicContact OE2-CZ 3.64Å; E220-R271 IonicContact OE2-NE 3.54Å; E220-R271 PolarHBondContact OE2-NE 3.21Å; E220-R271 IonicContact OE2-NH2 2.67Å; E220-R271 PolarHBondContact OE2-NH2 3.14Å; E220-H272 IonicContact OE1-CE1 2.89Å; E220-H272 IonicContact OE1-NE2 3.06Å; E220-H272 PolarHBondContact OE1-NE2 3.12Å; E220-H272 IonicContact OE2-NE2 2.57Å; E220-R351 IonicContact OE1-CZ 3.43Å; E220-R351 IonicContact OE1-NH1 3.62Å; E220-R351 PolarHBondContact OE1-NH1 2.89Å; E220-R351 IonicContact OE1-NH2 2.77Å; E220-R351 PolarHBondContact OE1-NH2 3.48Å |
| 221 | R | 95.3 | Very high | 96.7 | Very high | 73 Ų | 73 | 24.1 Ų | 24.1 | 28% | 0.275 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -43.6 | 170.6 | -147.9 | 152.9 | -92.1 | 62 | -26.4 | 111.9 | L166 E170 D218 K226 | L166-R221 HydrophobicContact CD2-CG 4.05Å; E170-R221 IonicContact OE1-NE 3.94Å; E170-R221 WeakPolarHBondContact OE2-CD 3.39Å; E170-R221 IonicContact OE2-CZ 2.86Å; E170-R221 IonicContact OE2-NE 2.94Å; E170-R221 PolarHBondContact OE2-NE 3.14Å; E170-R221 IonicContact OE2-NH2 3.41Å; D218-R221 PolarHBondContact O-N 2.98Å; D218-R221 PolarHBondContact OD1-N 3.08Å; D218-R221 IonicContact OD1-NH1 3.16Å; D218-R221 IonicContact OD2-CZ 2.82Å; D218-R221 VanDerWaalsContact OD2-CZ 3.3Å; D218-R221 IonicContact OD2-NH1 3.59Å; D218-R221 PolarHBondContact OD2-NH1 3.36Å; D218-R221 IonicContact OD2-NH2 2.97Å; R221-K226 WeakPolarHBondContact O-CB 3.12Å |
| 222 | M | 97.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.02 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | 56.4 | -174.3 | -71.7 | -65.4 | 175.4 | 0 | 0 | 109.4 | L166 I214 D218 P219 E220 I227 Y230 K320 | L166-M222 HydrophobicContact CD2-CE 3.38Å; I214-M222 HydrophobicContact CG1-SD 4.34Å; D218-M222 PolarHBondContact O-N 3.42Å; D218-M222 VanDerWaalsContact O-N 3.15Å; P219-M222 CarbonylContact O-C 3.46Å; E220-M222 PolarHBondContact O-N 2.9Å; M222-I227 HydrophobicContact CB-CD1 4.22Å; M222-I227 HydrophobicContact CB-CG1 3.8Å; M222-I227 HydrophobicContact CG-CG1 4.37Å; M222-I227 WeakPolarHBondContact O-CD1 3.39Å; M222-I227 HydrophobicContact SD-CG1 3.79Å; M222-Y230 HydrophobicContact CE-CD2 3.65Å; M222-Y230 HydrophobicContact CE-CE2 4.19Å; M222-Y230 HydrophobicContact CE-CG 3.88Å; M222-K320 HydrophobicContact CB-CD 4.28Å |
| 223 | S | 98 | Very high | 96.7 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | trans | -70.2 | 164.5 | 163.3 | 87.9 | 0 | 0 | 0 | 0 | 110.2 | P219 A225 K226 I227 R271 | P219-S223 WeakPolarHBondContact O-CA 3.32Å; P219-S223 PolarHBondContact O-N 3.15Å; S223-A225 VanDerWaalsContact C-N 3.31Å; S223-A225 PolarHBondContact O-N 3.49Å; S223-K226 PolarHBondContact O-N 3.35Å; S223-I227 WeakPolarHBondContact O-CG1 3.2Å; S223-I227 PolarHBondContact O-N 3.38Å; S223-R271 VanDerWaalsContact CB-O 3.26Å; S223-R271 WeakPolarHBondContact CB-O 3.47Å; S223-R271 PolarHBondContact OG-O 2.77Å | ||
| 224 | P | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -51.7 | -47 | -177.2 | -29.9 | 36.5 | 0 | 0 | 0 | 113.5 | K226 I227 V228 R271 Q273 R275 T299 L349 | P224-K226 PolarHBondContact O-N 2.84Å; P224-I227 PolarHBondContact O-N 2.77Å; P224-V228 WeakPolarHBondContact O-CG2 3.5Å; P224-V228 PolarHBondContact O-N 3.19Å; P224-V228 VanDerWaalsContact O-N 3.14Å; P224-R271 WeakPolarHBondContact CD-O 3.45Å; P224-Q273 VanDerWaalsContact CB-O 3.31Å; P224-Q273 WeakPolarHBondContact CB-O 3.21Å; P224-R275 HydrophobicContact CB-CB 4.34Å; P224-R275 HydrophobicContact CB-CG 3.95Å; P224-T299 WeakPolarHBondContact CD-OG1 3.34Å; P224-T299 HydrophobicContact CG-CG2 3.75Å; P224-L349 HydrophobicContact CB-CB 3.96Å |
| 225 | A | 98 | Very high | 96.6 | Very high | 30 Ų | 30 | 33 Ų | 33 | 25% | 0.248 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.6 | -35.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S223 V228 Q229 | S223-A225 VanDerWaalsContact C-N 3.31Å; S223-A225 PolarHBondContact O-N 3.49Å; A225-V228 PolarHBondContact O-N 3.34Å; A225-Q229 PolarHBondContact O-N 2.86Å; A225-Q229 VanDerWaalsContact O-N 3.09Å |
| 226 | K | 97.9 | Very high | 96.6 | Very high | 101 Ų | 101 | 39.2 Ų | 39.2 | 44% | 0.439 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -74.5 | -33 | 178.6 | -73.4 | -69.4 | 177 | -173.3 | 0 | 113.2 | R221 S223 P224 Q229 Y230 | R221-K226 WeakPolarHBondContact O-CB 3.12Å; S223-K226 PolarHBondContact O-N 3.35Å; P224-K226 PolarHBondContact O-N 2.84Å; K226-Q229 PolarHBondContact O-N 2.77Å; K226-Y230 WeakPolarHBondContact O-CB 3.33Å; K226-Y230 PolarHBondContact O-N 2.96Å |
| 227 | I | 98.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.4 | -44.1 | 170.7 | -66.1 | 170.7 | 0 | 0 | 0 | 110 | I214 M222 S223 P224 Q229 Y230 I231 T299 K320 L349 | I214-I227 HydrophobicContact CD1-CG2 4.36Å; I214-I227 HydrophobicContact CG2-CD1 4.09Å; I214-I227 HydrophobicContact CG2-CG1 4.13Å; I214-I227 HydrophobicContact CG2-CG2 4.13Å; M222-I227 HydrophobicContact CB-CD1 4.22Å; M222-I227 HydrophobicContact CB-CG1 3.8Å; M222-I227 HydrophobicContact CG-CG1 4.37Å; M222-I227 WeakPolarHBondContact O-CD1 3.39Å; M222-I227 HydrophobicContact SD-CG1 3.79Å; S223-I227 WeakPolarHBondContact O-CG1 3.2Å; S223-I227 PolarHBondContact O-N 3.38Å; P224-I227 PolarHBondContact O-N 2.77Å; I227-Q229 PolarHBondContact O-N 3.04Å; I227-Y230 PolarHBondContact O-N 3.42Å; I227-I231 HydrophobicContact CG2-CD1 3.65Å; I227-I231 HydrophobicContact CG2-CG1 4.3Å; I227-I231 WeakPolarHBondContact O-CD1 3.29Å; I227-I231 VanDerWaalsContact O-CG1 3.24Å; I227-I231 WeakPolarHBondContact O-CG1 3.39Å; I227-I231 PolarHBondContact O-N 3.21Å; I227-T299 HydrophobicContact CD1-CG2 3.57Å; I227-K320 HydrophobicContact CD1-CD 3.73Å; I227-L349 HydrophobicContact CB-CD1 3.94Å; I227-L349 HydrophobicContact CD1-CD2 4.15Å; I227-L349 HydrophobicContact CG2-CD1 3.63Å; I227-L349 HydrophobicContact CG2-CD2 4.05Å |
| 228 | V | 98.5 | Very high | 96.4 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.7 | -50.7 | 174.6 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | P224 A225 Y230 I231 E232 V245 R275 V277 L349 | P224-V228 WeakPolarHBondContact O-CG2 3.5Å; P224-V228 PolarHBondContact O-N 3.19Å; P224-V228 VanDerWaalsContact O-N 3.14Å; A225-V228 PolarHBondContact O-N 3.34Å; V228-Y230 VanDerWaalsContact C-N 3.33Å; V228-Y230 PolarHBondContact O-N 3.12Å; V228-I231 WeakPolarHBondContact O-CB 3.21Å; V228-I231 PolarHBondContact O-N 3.09Å; V228-I231 VanDerWaalsContact O-N 3.12Å; V228-E232 HydrophobicContact CG1-CG 4.36Å; V228-E232 WeakPolarHBondContact O-CG 3.44Å; V228-E232 PolarHBondContact O-N 2.86Å; V228-V245 HydrophobicContact CG1-CB 4.49Å; V228-V245 HydrophobicContact CG1-CG1 3.78Å; V228-V245 HydrophobicContact CG1-CG2 3.89Å; V228-V245 HydrophobicContact CG2-CG1 4.26Å; V228-R275 HydrophobicContact CG2-CB 3.7Å; V228-R275 HydrophobicContact CG2-CG 3.79Å; V228-V277 HydrophobicContact CG2-CG2 3.67Å; V228-L349 HydrophobicContact CG2-CD1 4.05Å |
| 229 | Q | 97.7 | Very high | 96.4 | Very high | 76 Ų | 76 | 48.2 Ų | 48.2 | 36% | 0.355 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -55.3 | -47.9 | 177.6 | -175.1 | -170.2 | -18.2 | 0 | 0 | 111.5 | A225 K226 I227 I231 E232 E233 | A225-Q229 PolarHBondContact O-N 2.86Å; A225-Q229 VanDerWaalsContact O-N 3.09Å; K226-Q229 PolarHBondContact O-N 2.77Å; I227-Q229 PolarHBondContact O-N 3.04Å; Q229-I231 VanDerWaalsContact C-N 3.33Å; Q229-I231 PolarHBondContact O-N 3.5Å; Q229-E232 PolarHBondContact O-N 3.25Å; Q229-E233 WeakPolarHBondContact CG-OE1 3.44Å; Q229-E233 PolarHBondContact NE2-OE1 3.18Å; Q229-E233 WeakPolarHBondContact O-CG 3.48Å; Q229-E233 PolarHBondContact O-N 3.32Å |
| 230 | Y | 97.2 | Very high | 96.4 | Very high | 26 Ų | 26 | 48 Ų | 48 | 10% | 0.102 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.2 | -39.4 | 178.4 | -179.2 | -80.5 | 0 | 0 | 0 | 112.2 | V210 D213 I214 M222 K226 I227 V228 T234 | V210-Y230 HydrophobicContact CG1-CE1 4.05Å; V210-Y230 HydrophobicContact CG2-CE1 4.36Å; D213-Y230 HydrophobicContact CB-CE1 4.46Å; D213-Y230 HydrophobicContact CB-CE2 3.93Å; D213-Y230 WeakPolarHBondContact CB-OH 3.26Å; D213-Y230 PolarHBondContact OD2-OH 2.88Å; I214-Y230 HydrophobicContact CD1-CD1 4Å; I214-Y230 HydrophobicContact CD1-CE1 4.24Å; I214-Y230 HydrophobicContact CG1-CD1 3.86Å; I214-Y230 HydrophobicContact CG1-CE1 4.08Å; M222-Y230 HydrophobicContact CE-CD2 3.65Å; M222-Y230 HydrophobicContact CE-CE2 4.19Å; M222-Y230 HydrophobicContact CE-CG 3.88Å; K226-Y230 WeakPolarHBondContact O-CB 3.33Å; K226-Y230 PolarHBondContact O-N 2.96Å; I227-Y230 PolarHBondContact O-N 3.42Å; V228-Y230 VanDerWaalsContact C-N 3.33Å; V228-Y230 PolarHBondContact O-N 3.12Å; Y230-T234 VanDerWaalsContact CE1-OG1 3.23Å; Y230-T234 WeakPolarHBondContact CE1-OG1 3.47Å; Y230-T234 WeakPolarHBondContact O-CB 3.44Å; Y230-T234 PolarHBondContact O-N 3.25Å; Y230-T234 PolarHBondContact O-OG1 3.37Å |
| 231 | I | 98 | Very high | 96.6 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.7 | -48.3 | 176.1 | -70.2 | 162.2 | 0 | 0 | 0 | 110.2 | I214 I227 V228 Q229 E233 T234 F235 L243 V277 F279 V327 | I214-I231 HydrophobicContact CD1-CG1 4.3Å; I227-I231 HydrophobicContact CG2-CD1 3.65Å; I227-I231 HydrophobicContact CG2-CG1 4.3Å; I227-I231 WeakPolarHBondContact O-CD1 3.29Å; I227-I231 VanDerWaalsContact O-CG1 3.24Å; I227-I231 WeakPolarHBondContact O-CG1 3.39Å; I227-I231 PolarHBondContact O-N 3.21Å; V228-I231 WeakPolarHBondContact O-CB 3.21Å; V228-I231 PolarHBondContact O-N 3.09Å; V228-I231 VanDerWaalsContact O-N 3.12Å; Q229-I231 VanDerWaalsContact C-N 3.33Å; Q229-I231 PolarHBondContact O-N 3.5Å; I231-E233 VanDerWaalsContact C-N 3.33Å; I231-E233 PolarHBondContact O-N 3.41Å; I231-T234 WeakPolarHBondContact O-CB 3.28Å; I231-T234 PolarHBondContact O-N 3.22Å; I231-T234 VanDerWaalsContact O-N 3.12Å; I231-F235 HydrophobicContact CG2-CD2 3.95Å; I231-F235 HydrophobicContact CG2-CE2 4.24Å; I231-F235 VanDerWaalsContact O-CD2 3.3Å; I231-F235 WeakPolarHBondContact O-CD2 3.42Å; I231-F235 PolarHBondContact O-N 3.39Å; I231-F235 VanDerWaalsContact O-N 3.07Å; I231-L243 HydrophobicContact CG2-CD1 3.82Å; I231-L243 HydrophobicContact CG2-CD2 4.11Å; I231-V277 HydrophobicContact CD1-CB 4.49Å; I231-V277 HydrophobicContact CD1-CG1 4.45Å; I231-V277 HydrophobicContact CD1-CG2 4.23Å; I231-V277 HydrophobicContact CG2-CG1 4.3Å; I231-F279 HydrophobicContact CD1-CZ 4.08Å; I231-F279 HydrophobicContact CG1-CZ 4.41Å; I231-F279 HydrophobicContact CG2-CE1 3.66Å; I231-F279 HydrophobicContact CG2-CZ 3.65Å; I231-V327 HydrophobicContact CD1-CG2 3.89Å; I231-V327 HydrophobicContact CG1-CG1 3.89Å; I231-V327 HydrophobicContact CG1-CG2 4.11Å |
| 232 | E | 97.6 | Very high | 96.7 | Very high | 94 Ų | 94 | 47.9 Ų | 47.9 | 44% | 0.439 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.7 | -45.2 | 178.5 | -70.9 | 174.3 | 148.6 | 0 | 0 | 111 | V228 Q229 T234 F235 E236 | V228-E232 HydrophobicContact CG1-CG 4.36Å; V228-E232 WeakPolarHBondContact O-CG 3.44Å; V228-E232 PolarHBondContact O-N 2.86Å; Q229-E232 PolarHBondContact O-N 3.25Å; E232-T234 VanDerWaalsContact C-N 3.33Å; E232-T234 PolarHBondContact O-N 3.28Å; E232-F235 CarbonylContact O-C 3.49Å; E232-F235 PolarHBondContact O-N 3.43Å; E232-E236 WeakPolarHBondContact O-CA 3.5Å; E232-E236 WeakPolarHBondContact O-CB 3.37Å; E232-E236 PolarHBondContact O-N 2.85Å |
| 233 | E | 96.5 | Very high | 96.8 | Very high | 87 Ų | 87 | 49.9 Ų | 49.9 | 41% | 0.407 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.9 | -37.3 | 174.8 | -70.4 | 172.2 | -169.9 | 0 | 0 | 112.3 | Q229 I231 F235 | Q229-E233 WeakPolarHBondContact CG-OE1 3.44Å; Q229-E233 PolarHBondContact NE2-OE1 3.18Å; Q229-E233 WeakPolarHBondContact O-CG 3.48Å; Q229-E233 PolarHBondContact O-N 3.32Å; I231-E233 VanDerWaalsContact C-N 3.33Å; I231-E233 PolarHBondContact O-N 3.41Å; E233-F235 VanDerWaalsContact C-N 3.35Å; E233-F235 PolarHBondContact O-N 3.12Å |
| 234 | T | 95.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.8 | -35.2 | -180 | -64.2 | 0 | 0 | 0 | 0 | 112.7 | T5 V210 Y230 I231 E232 K331 | T5-T234 VanDerWaalsContact CG2-O 3.31Å; T5-T234 WeakPolarHBondContact CG2-O 3.45Å; V210-T234 HydrophobicContact CG2-CG2 3.95Å; Y230-T234 VanDerWaalsContact CE1-OG1 3.23Å; Y230-T234 WeakPolarHBondContact CE1-OG1 3.47Å; Y230-T234 WeakPolarHBondContact O-CB 3.44Å; Y230-T234 PolarHBondContact O-N 3.25Å; Y230-T234 PolarHBondContact O-OG1 3.37Å; I231-T234 WeakPolarHBondContact O-CB 3.28Å; I231-T234 PolarHBondContact O-N 3.22Å; I231-T234 VanDerWaalsContact O-N 3.12Å; E232-T234 VanDerWaalsContact C-N 3.33Å; E232-T234 PolarHBondContact O-N 3.28Å; T234-K331 HydrophobicContact CG2-CD 4.07Å |
| 235 | F | 96.6 | Very high | 96.8 | Very high | 9 Ų | 9 | 55.2 Ų | 55.2 | 4% | 0.039 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -109 | 10 | -177.6 | -63.8 | -80 | 0 | 0 | 0 | 113.4 | I231 E232 E233 S237 S238 V241 L243 F279 V327 F330 K331 D334 | I231-F235 HydrophobicContact CG2-CD2 3.95Å; I231-F235 HydrophobicContact CG2-CE2 4.24Å; I231-F235 VanDerWaalsContact O-CD2 3.3Å; I231-F235 WeakPolarHBondContact O-CD2 3.42Å; I231-F235 PolarHBondContact O-N 3.39Å; I231-F235 VanDerWaalsContact O-N 3.07Å; E232-F235 CarbonylContact O-C 3.49Å; E232-F235 PolarHBondContact O-N 3.43Å; E233-F235 VanDerWaalsContact C-N 3.35Å; E233-F235 PolarHBondContact O-N 3.12Å; F235-S237 PolarHBondContact O-N 3.22Å; F235-S238 VanDerWaalsContact O-CB 3.25Å; F235-S238 WeakPolarHBondContact O-CB 3.14Å; F235-S238 PolarHBondContact O-N 2.89Å; F235-V241 HydrophobicContact CD1-CB 3.85Å; F235-V241 HydrophobicContact CD1-CG1 3.97Å; F235-V241 HydrophobicContact CD1-CG2 4.17Å; F235-V241 HydrophobicContact CE1-CB 4.12Å; F235-V241 HydrophobicContact CE1-CG1 4.06Å; F235-V241 HydrophobicContact CE1-CG2 4.01Å; F235-V241 HydrophobicContact CG-CG1 4.45Å; F235-L243 HydrophobicContact CB-CD1 3.97Å; F235-L243 HydrophobicContact CB-CG 4.45Å; F235-L243 HydrophobicContact CD2-CD1 4.31Å; F235-L243 HydrophobicContact CD2-CD2 4.32Å; F235-L243 HydrophobicContact CG-CD1 4.5Å; F235-F279 HydrophobicContact CD2-CE1 4.21Å; F235-F279 HydrophobicContact CE2-CD1 4.42Å; F235-F279 AromaticContact CE2-CE1 3.76Å; F235-F279 HydrophobicContact CE2-CE1 3.76Å; F235-F279 HydrophobicContact CZ-CE1 4.37Å; F235-V327 HydrophobicContact CE2-CG1 4.01Å; F235-F330 HydrophobicContact CE1-CB 4.27Å; F235-F330 HydrophobicContact CZ-CB 3.79Å; F235-K331 HydrophobicContact CE1-CD 4.49Å; F235-K331 HydrophobicContact CZ-CB 4.25Å; F235-D334 HydrophobicContact CD1-CB 4.38Å; F235-D334 HydrophobicContact CE1-CB 4.04Å |
| 236 | E | 94.3 | Very high | 96.8 | Very high | 131 Ų | 131 | 55 Ų | 55 | 61% | 0.612 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -40.8 | -178.5 | -174.9 | -179.6 | -158.4 | 0 | 0 | 112.1 | S3 E232 | S3-E236 WeakPolarHBondContact CB-OE2 3.49Å; S3-E236 PolarHBondContact OG-OE2 3.14Å; E232-E236 WeakPolarHBondContact O-CA 3.5Å; E232-E236 WeakPolarHBondContact O-CB 3.37Å; E232-E236 PolarHBondContact O-N 2.85Å |
| 237 | S | 91.4 | Very high | 96.8 | Very high | 73 Ų | 73 | 53.1 Ų | 53.1 | 51% | 0.51 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 11.3 | 178.2 | 73.5 | 0 | 0 | 0 | 0 | 113.9 | T5 F235 | T5-S237 WeakPolarHBondContact CG2-OG 3.21Å; T5-S237 PolarHBondContact OG1-OG 3.25Å; T5-S237 VanDerWaalsContact OG1-OG 3.11Å; F235-S237 PolarHBondContact O-N 3.22Å |
| 238 | S | 93.8 | Very high | 96.8 | Very high | 18 Ų | 18 | 57 Ų | 57 | 13% | 0.126 | 30% | 0.302 | C | S | . | . | trans | -80.3 | 127.7 | -179.8 | -174.8 | 0 | 0 | 0 | 0 | 110.8 | F235 S240 V241 D334 | F235-S238 VanDerWaalsContact O-CB 3.25Å; F235-S238 WeakPolarHBondContact O-CB 3.14Å; F235-S238 PolarHBondContact O-N 2.89Å; S238-S240 PolarHBondContact OG-N 2.9Å; S238-V241 PolarHBondContact OG-N 2.76Å; S238-D334 VanDerWaalsContact CB-OD1 3.29Å; S238-D334 WeakPolarHBondContact CB-OD1 3.43Å; S238-D334 PolarHBondContact OG-OD1 3.36Å | ||
| 239 | N | 93.4 | Very high | 96.8 | Very high | 170 Ų | 170 | 58 Ų | 58 | 91% | 0.909 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -97.9 | -5 | 169.7 | -66.5 | -41.7 | 0 | 0 | 0 | 112.6 | ||
| 240 | S | 96.3 | Very high | 96.8 | Very high | 24 Ų | 24 | 60.2 Ų | 60.2 | 17% | 0.168 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -111.7 | -23.7 | -170.7 | 71.9 | 0 | 0 | 0 | 0 | 113.4 | S238 D334 | S238-S240 PolarHBondContact OG-N 2.9Å; S240-D334 WeakPolarHBondContact OG-CA 3.21Å; S240-D334 PolarHBondContact OG-OD1 3Å; S240-D334 VanDerWaalsContact OG-OD1 3.12Å |
| 241 | V | 97.9 | Very high | 96.8 | Very high | 10 Ų | 10 | 61.6 Ų | 61.6 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.1 | 179.3 | 179.3 | 0 | 0 | 0 | 0 | 110 | F235 S238 L243 F279 Q280 Y281 F330 D334 | F235-V241 HydrophobicContact CD1-CB 3.85Å; F235-V241 HydrophobicContact CD1-CG1 3.97Å; F235-V241 HydrophobicContact CD1-CG2 4.17Å; F235-V241 HydrophobicContact CE1-CB 4.12Å; F235-V241 HydrophobicContact CE1-CG1 4.06Å; F235-V241 HydrophobicContact CE1-CG2 4.01Å; F235-V241 HydrophobicContact CG-CG1 4.45Å; S238-V241 PolarHBondContact OG-N 2.76Å; V241-L243 HydrophobicContact CG1-CD2 4.17Å; V241-F279 HydrophobicContact CG1-CD1 4.01Å; V241-Q280 WeakPolarHBondContact CA-O 3.45Å; V241-Y281 HydrophobicContact CG2-CD2 4.38Å; V241-F330 HydrophobicContact CG1-CD1 3.88Å; V241-F330 HydrophobicContact CG2-CD1 4.2Å; V241-D334 HydrophobicContact CG2-CB 3.93Å |
| 242 | K | 98.3 | Very high | 96.8 | Very high | 135 Ų | 135 | 61.6 Ų | 61.6 | 59% | 0.587 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 133 | 172.7 | -179 | 177.1 | 179.4 | 177.3 | 0 | 110.6 | F279 Q280 | K242-F279 CarbonylContact O-C 3.04Å; K242-F279 WeakPolarHBondContact O-CA 3.21Å; K242-Q280 HydrophobicContact CB-CB 4.37Å; K242-Q280 PolarHBondContact N-O 3.23Å; K242-Q280 PolarHBondContact O-N 3.15Å |
| 243 | L | 98.4 | Very high | 96.9 | Very high | 45 Ų | 45 | 63.2 Ų | 63.2 | 24% | 0.236 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 144.4 | 175.6 | -58.4 | -178.7 | 0 | 0 | 0 | 111.9 | I231 F235 V241 K278 F279 | I231-L243 HydrophobicContact CG2-CD1 3.82Å; I231-L243 HydrophobicContact CG2-CD2 4.11Å; F235-L243 HydrophobicContact CB-CD1 3.97Å; F235-L243 HydrophobicContact CB-CG 4.45Å; F235-L243 HydrophobicContact CD2-CD1 4.31Å; F235-L243 HydrophobicContact CD2-CD2 4.32Å; F235-L243 HydrophobicContact CG-CD1 4.5Å; V241-L243 HydrophobicContact CG1-CD2 4.17Å; L243-K278 CarbonylContact C-O 3.49Å; L243-K278 WeakPolarHBondContact CA-O 3.46Å; L243-F279 HydrophobicContact CD2-CD1 3.17Å; L243-F279 HydrophobicContact CD2-CE1 3.27Å; L243-F279 HydrophobicContact CD2-CG 4Å; L243-F279 HydrophobicContact CD2-CZ 4.16Å |
| 244 | T | 98.5 | Very high | 96.9 | Very high | 69 Ų | 69 | 66.8 Ų | 66.8 | 42% | 0.423 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 120.7 | 163.8 | -61 | 0 | 0 | 0 | 0 | 108.8 | K278 | T244-K278 PolarHBondContact N-O 3.07Å; T244-K278 PolarHBondContact O-N 3Å |
| 245 | V | 98.6 | Very high | 97.1 | Very high | 45 Ų | 45 | 69.7 Ų | 69.7 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 130.7 | 179.3 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | V228 V277 | V228-V245 HydrophobicContact CG1-CB 4.49Å; V228-V245 HydrophobicContact CG1-CG1 3.78Å; V228-V245 HydrophobicContact CG1-CG2 3.89Å; V228-V245 HydrophobicContact CG2-CG1 4.26Å; V245-V277 HydrophobicContact CG2-CG1 4.34Å; V245-V277 HydrophobicContact CG2-CG2 4.44Å |
| 246 | I | 98.6 | Very high | 97.2 | Very high | 26 Ų | 26 | 69.5 Ų | 69.5 | 13% | 0.133 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 108.8 | 168.9 | -51.3 | -177 | 0 | 0 | 0 | 107.6 | V251 I252 Y256 L276 | I246-V251 HydrophobicContact CG2-CB 4.06Å; I246-V251 HydrophobicContact CG2-CG1 3.68Å; I246-I252 HydrophobicContact CG2-CG1 4.04Å; I246-Y256 HydrophobicContact CD1-CE2 3.94Å; I246-L276 HydrophobicContact CB-CB 4.17Å; I246-L276 HydrophobicContact CD1-CD2 4.08Å; I246-L276 PolarHBondContact N-O 3Å; I246-L276 PolarHBondContact O-N 3.18Å |
| 247 | S | 97.9 | Very high | 97.4 | Very high | 61 Ų | 61 | 64.8 Ų | 64.8 | 43% | 0.427 | 34% | 0.344 | S | S | . | . | trans | -115 | -11.4 | 178.6 | 57.2 | 0 | 0 | 0 | 0 | 114 | Q249 R275 | S247-Q249 PolarHBondContact O-N 2.97Å; S247-Q249 PolarHBondContact O-NE2 2.72Å; S247-R275 VanDerWaalsContact CB-CD 3.47Å | ||
| 248 | D | 97.9 | Very high | 97.7 | Very high | 84 Ų | 84 | 61.3 Ų | 61.3 | 45% | 0.449 | 32% | 0.32 | S | S | . | . | trans | -71.1 | 119.5 | 176.2 | -173.4 | -26.3 | 0 | 0 | 0 | 109.7 | D250 V251 I252 | D248-D250 VanDerWaalsContact C-N 3.32Å; D248-D250 PolarHBondContact O-N 2.91Å; D248-D250 WeakPolarHBondContact OD1-CB 3.36Å; D248-D250 PolarHBondContact OD1-N 3.27Å; D248-V251 HydrophobicContact CB-CB 4.09Å; D248-V251 HydrophobicContact CB-CG2 3.81Å; D248-V251 PolarHBondContact O-N 3.44Å; D248-I252 WeakPolarHBondContact O-CG1 3.31Å; D248-I252 PolarHBondContact O-N 3.2Å | ||
| 249 | Q | 97.3 | Very high | 97.9 | Very high | 31 Ų | 31 | 60.4 Ų | 60.4 | 15% | 0.145 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.4 | -28.6 | -176.9 | -57.1 | -52.8 | -72.8 | 0 | 0 | 112.1 | S247 V251 I252 K253 S274 R275 | S247-Q249 PolarHBondContact O-N 2.97Å; S247-Q249 PolarHBondContact O-NE2 2.72Å; Q249-V251 VanDerWaalsContact C-N 3.35Å; Q249-I252 PolarHBondContact O-N 3.47Å; Q249-K253 VanDerWaalsContact O-CB 3.29Å; Q249-K253 WeakPolarHBondContact O-CB 3.47Å; Q249-K253 PolarHBondContact O-N 3.48Å; Q249-S274 PolarHBondContact NE2-O 2.93Å; Q249-R275 VanDerWaalsContact NE2-NH1 3.19Å |
| 250 | D | 97.8 | Very high | 98.1 | Very high | 122 Ų | 122 | 53.1 Ų | 53.1 | 65% | 0.652 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -70 | -37.2 | 176.3 | -70 | -32.5 | 0 | 0 | 0 | 110.7 | D248 K254 | D248-D250 VanDerWaalsContact C-N 3.32Å; D248-D250 PolarHBondContact O-N 2.91Å; D248-D250 WeakPolarHBondContact OD1-CB 3.36Å; D248-D250 PolarHBondContact OD1-N 3.27Å; D250-K254 WeakPolarHBondContact O-CB 3.46Å; D250-K254 PolarHBondContact O-N 2.84Å |
| 251 | V | 98.4 | Very high | 98.2 | Very high | 55 Ų | 55 | 52 Ų | 52 | 33% | 0.333 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 172 | 179 | 0 | 0 | 0 | 0 | 110.7 | I246 D248 Q249 K254 E255 | I246-V251 HydrophobicContact CG2-CB 4.06Å; I246-V251 HydrophobicContact CG2-CG1 3.68Å; D248-V251 HydrophobicContact CB-CB 4.09Å; D248-V251 HydrophobicContact CB-CG2 3.81Å; D248-V251 PolarHBondContact O-N 3.44Å; Q249-V251 VanDerWaalsContact C-N 3.35Å; V251-K254 PolarHBondContact O-N 2.88Å; V251-E255 HydrophobicContact CG1-CG 4.24Å; V251-E255 WeakPolarHBondContact O-CB 3.37Å; V251-E255 PolarHBondContact O-N 2.99Å |
| 252 | I | 98.2 | Very high | 98.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 177.7 | -67.7 | 172.6 | 0 | 0 | 0 | 110.8 | I246 D248 Q249 K254 Y256 M259 D260 S274 | I246-I252 HydrophobicContact CG2-CG1 4.04Å; D248-I252 WeakPolarHBondContact O-CG1 3.31Å; D248-I252 PolarHBondContact O-N 3.2Å; Q249-I252 PolarHBondContact O-N 3.47Å; I252-K254 VanDerWaalsContact C-N 3.29Å; I252-K254 PolarHBondContact O-N 2.97Å; I252-Y256 CarbonylContact O-C 3.53Å; I252-Y256 VanDerWaalsContact O-CA 3.27Å; I252-Y256 WeakPolarHBondContact O-CA 3.46Å; I252-Y256 PolarHBondContact O-N 3.41Å; I252-M259 HydrophobicContact CD1-CE 4.47Å; I252-M259 HydrophobicContact CG2-CG 4.36Å; I252-M259 HydrophobicContact CG2-SD 4.3Å; I252-D260 HydrophobicContact CG2-CB 4.22Å; I252-S274 VanDerWaalsContact CD1-O 3.25Å; I252-S274 WeakPolarHBondContact CD1-O 3.44Å |
| 253 | K | 97.9 | Very high | 98.2 | Very high | 129 Ų | 129 | 45.1 Ų | 45.1 | 56% | 0.561 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -57.1 | -40.3 | 177.6 | -178.3 | 171.4 | -175.4 | 177.3 | 0 | 113.2 | Q249 D260 | Q249-K253 VanDerWaalsContact O-CB 3.29Å; Q249-K253 WeakPolarHBondContact O-CB 3.47Å; Q249-K253 PolarHBondContact O-N 3.48Å; K253-D260 HydrophobicContact CB-CB 4.21Å; K253-D260 WeakPolarHBondContact CG-OD2 2.68Å |
| 254 | K | 98.3 | Very high | 98.2 | Very high | 162 Ų | 162 | 45.9 Ų | 45.9 | 70% | 0.704 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -77 | -48.8 | -179.4 | -177 | -175.3 | 172.4 | -170.9 | 0 | 113 | D250 V251 I252 | D250-K254 WeakPolarHBondContact O-CB 3.46Å; D250-K254 PolarHBondContact O-N 2.84Å; V251-K254 PolarHBondContact O-N 2.88Å; I252-K254 VanDerWaalsContact C-N 3.29Å; I252-K254 PolarHBondContact O-N 2.97Å |
| 255 | E | 98.2 | Very high | 98.1 | Very high | 65 Ų | 65 | 43.2 Ų | 43.2 | 30% | 0.304 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -94.1 | -20.7 | -168.5 | -61.9 | -66.6 | 144.4 | 0 | 0 | 113.5 | V251 R368 | V251-E255 HydrophobicContact CG1-CG 4.24Å; V251-E255 WeakPolarHBondContact O-CB 3.37Å; V251-E255 PolarHBondContact O-N 2.99Å; E255-R368 PolarHBondContact O-NH1 2.84Å; E255-R368 IonicContact OE2-CZ 3.42Å; E255-R368 IonicContact OE2-NH1 3.54Å; E255-R368 PolarHBondContact OE2-NH1 3.47Å; E255-R368 IonicContact OE2-NH2 2.7Å |
| 256 | Y | 98.6 | Very high | 98 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 2% | 0.02 | 21% | 0.212 | C | C | . | . | trans | -136.5 | 58.7 | -179 | -48 | -81.7 | 0 | 0 | 0 | 111.5 | I246 I252 L258 M259 D260 L276 K278 D388 P389 E392 | I246-Y256 HydrophobicContact CD1-CE2 3.94Å; I252-Y256 CarbonylContact O-C 3.53Å; I252-Y256 VanDerWaalsContact O-CA 3.27Å; I252-Y256 WeakPolarHBondContact O-CA 3.46Å; I252-Y256 PolarHBondContact O-N 3.41Å; Y256-L258 VanDerWaalsContact C-N 3.26Å; Y256-L258 PolarHBondContact O-N 3.08Å; Y256-L258 VanDerWaalsContact O-N 3.15Å; Y256-M259 WeakPolarHBondContact O-CA 3.37Å; Y256-M259 WeakPolarHBondContact O-CB 3.41Å; Y256-M259 PolarHBondContact O-N 3.24Å; Y256-D260 PolarHBondContact O-N 3.42Å; Y256-L276 HydrophobicContact CD1-CD2 4.23Å; Y256-L276 HydrophobicContact CD2-CD2 4.16Å; Y256-L276 HydrophobicContact CE1-CD2 3.62Å; Y256-L276 HydrophobicContact CE2-CD2 3.53Å; Y256-L276 HydrophobicContact CG-CD2 4.48Å; Y256-L276 WeakPolarHBondContact OH-CD2 3.07Å; Y256-K278 VanDerWaalsContact OH-CE 3.27Å; Y256-K278 WeakPolarHBondContact OH-CE 3.49Å; Y256-K278 PolarHBondContact OH-NZ 3.35Å; Y256-D388 WeakPolarHBondContact CA-OD2 3.15Å; Y256-D388 HydrophobicContact CD1-CB 3.77Å; Y256-D388 HydrophobicContact CG-CB 4.38Å; Y256-P389 HydrophobicContact CD1-CG 4.06Å; Y256-P389 HydrophobicContact CE1-CG 4.43Å; Y256-E392 VanDerWaalsContact CE1-OE2 3.32Å; Y256-E392 WeakPolarHBondContact CE1-OE2 3.33Å; Y256-E392 VanDerWaalsContact CZ-OE2 3.31Å; Y256-E392 PolarHBondContact OH-OE2 2.74Å | ||
| 257 | P | 98.5 | Very high | 97.8 | Very high | 31 Ų | 31 | 42 Ų | 42 | 20% | 0.201 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.3 | -32.9 | -172 | 23.3 | -35.9 | 0 | 0 | 0 | 114.6 | D260 A261 T366 D388 | P257-D260 PolarHBondContact O-N 3.23Å; P257-A261 WeakPolarHBondContact O-CB 3.2Å; P257-A261 PolarHBondContact O-N 3.48Å; P257-T366 WeakPolarHBondContact CB-O 3.45Å; P257-T366 WeakPolarHBondContact CG-O 3.25Å; P257-D388 VanDerWaalsContact CD-OD2 3.26Å; P257-D388 WeakPolarHBondContact CD-OD2 3.12Å; P257-D388 VanDerWaalsContact N-OD2 3.12Å |
| 258 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -73.2 | -32.8 | 176.9 | -58.9 | -168 | 0 | 0 | 0 | 112.4 | Y256 V262 L365 I373 T384 V387 D388 | Y256-L258 VanDerWaalsContact C-N 3.26Å; Y256-L258 PolarHBondContact O-N 3.08Å; Y256-L258 VanDerWaalsContact O-N 3.15Å; L258-V262 WeakPolarHBondContact O-CG2 3.39Å; L258-V262 PolarHBondContact O-N 3.04Å; L258-L365 HydrophobicContact CD2-CB 3.45Å; L258-L365 VanDerWaalsContact CD2-CB 3.45Å; L258-L365 HydrophobicContact CD2-CD1 3.98Å; L258-L365 HydrophobicContact CD2-CG 4.38Å; L258-I373 HydrophobicContact CD1-CD1 3.55Å; L258-I373 HydrophobicContact CD2-CD1 4.41Å; L258-T384 HydrophobicContact CB-CG2 3.8Å; L258-T384 WeakPolarHBondContact CB-O 3.4Å; L258-T384 HydrophobicContact CD1-CG2 4.25Å; L258-T384 HydrophobicContact CG-CG2 4.44Å; L258-V387 HydrophobicContact CD1-CB 3.7Å; L258-V387 HydrophobicContact CD1-CG1 3.68Å; L258-V387 HydrophobicContact CD1-CG2 4.28Å; L258-D388 VanDerWaalsContact CB-OD2 3.26Å; L258-D388 WeakPolarHBondContact CB-OD2 3.46Å; L258-D388 WeakPolarHBondContact CG-OD2 3.18Å; L258-D388 PolarHBondContact N-OD2 3.06Å |
| 259 | M | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.8 | -40.9 | 173.7 | -176.1 | -175.5 | 166.3 | 0 | 0 | 110.9 | I252 Y256 G263 R275 L276 A348 L349 V350 | I252-M259 HydrophobicContact CD1-CE 4.47Å; I252-M259 HydrophobicContact CG2-CG 4.36Å; I252-M259 HydrophobicContact CG2-SD 4.3Å; Y256-M259 WeakPolarHBondContact O-CA 3.37Å; Y256-M259 WeakPolarHBondContact O-CB 3.41Å; Y256-M259 PolarHBondContact O-N 3.24Å; M259-G263 PolarHBondContact O-N 3.1Å; M259-G263 VanDerWaalsContact O-N 3.11Å; M259-R275 VanDerWaalsContact CE-C 3.49Å; M259-R275 WeakPolarHBondContact CE-O 2.87Å; M259-L276 HydrophobicContact CE-CB 4.37Å; M259-L276 HydrophobicContact SD-CB 4.46Å; M259-L276 HydrophobicContact SD-CD1 4.01Å; M259-A348 HydrophobicContact CE-CB 4.34Å; M259-A348 HydrophobicContact SD-CB 3.97Å; M259-L349 WeakPolarHBondContact CE-O 3.35Å; M259-V350 HydrophobicContact CE-CG1 3.83Å; M259-V350 HydrophobicContact CG-CG1 3.52Å |
| 260 | D | 98.4 | Very high | 97.5 | Very high | 16 Ų | 16 | 44.9 Ų | 44.9 | 9% | 0.086 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.9 | -49.2 | 172.8 | 177.5 | 63.1 | 0 | 0 | 0 | 111.6 | I252 K253 Y256 P257 V262 G263 R264 | I252-D260 HydrophobicContact CG2-CB 4.22Å; K253-D260 HydrophobicContact CB-CB 4.21Å; K253-D260 WeakPolarHBondContact CG-OD2 2.68Å; Y256-D260 PolarHBondContact O-N 3.42Å; P257-D260 PolarHBondContact O-N 3.23Å; D260-V262 VanDerWaalsContact C-N 3.32Å; D260-V262 PolarHBondContact O-N 3.42Å; D260-G263 CarbonylContact O-C 3.39Å; D260-G263 PolarHBondContact O-N 2.86Å; D260-R264 WeakPolarHBondContact O-CB 3.1Å; D260-R264 WeakPolarHBondContact O-CG 3.48Å; D260-R264 PolarHBondContact O-N 2.6Å |
| 261 | A | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.9 | -42.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P257 R264 Y359 L365 | P257-A261 WeakPolarHBondContact O-CB 3.2Å; P257-A261 PolarHBondContact O-N 3.48Å; A261-R264 VanDerWaalsContact O-CG 3.29Å; A261-R264 WeakPolarHBondContact O-CG 3.39Å; A261-Y359 VanDerWaalsContact O-CB 3.31Å; A261-Y359 WeakPolarHBondContact O-CB 3.24Å; A261-Y359 WeakPolarHBondContact O-CD1 3.19Å; A261-L365 HydrophobicContact CB-CD1 3.32Å; A261-L365 HydrophobicContact CB-CD2 3.94Å; A261-L365 HydrophobicContact CB-CG 4.29Å |
| 262 | V | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.7 | -40 | 176.2 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | L258 D260 V350 N352 Y359 E381 T384 I385 | L258-V262 WeakPolarHBondContact O-CG2 3.39Å; L258-V262 PolarHBondContact O-N 3.04Å; D260-V262 VanDerWaalsContact C-N 3.32Å; D260-V262 PolarHBondContact O-N 3.42Å; V262-V350 HydrophobicContact CG1-CG2 3.92Å; V262-N352 HydrophobicContact CG1-CB 4.21Å; V262-Y359 HydrophobicContact CB-CE1 4.4Å; V262-Y359 HydrophobicContact CG2-CE1 4.15Å; V262-Y359 HydrophobicContact CG2-CE2 4.2Å; V262-E381 HydrophobicContact CG1-CB 3.69Å; V262-E381 HydrophobicContact CG1-CG 4.05Å; V262-E381 HydrophobicContact CG2-CB 3.98Å; V262-T384 HydrophobicContact CG2-CG2 3.82Å; V262-I385 HydrophobicContact CB-CG2 3.57Å; V262-I385 HydrophobicContact CG1-CG2 3.66Å; V262-I385 HydrophobicContact CG2-CG2 3.62Å |
| 263 | G | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -81.9 | -22 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | M259 D260 G265 A266 N267 | M259-G263 PolarHBondContact O-N 3.1Å; M259-G263 VanDerWaalsContact O-N 3.11Å; D260-G263 CarbonylContact O-C 3.39Å; D260-G263 PolarHBondContact O-N 2.86Å; G263-G265 VanDerWaalsContact C-N 3.25Å; G263-G265 PolarHBondContact O-N 3.18Å; G263-G265 VanDerWaalsContact O-N 3.14Å; G263-A266 PolarHBondContact O-N 3.42Å; G263-N267 PolarHBondContact O-OD1 3.22Å |
| 264 | R | 97 | Very high | 97.4 | Very high | 60 Ų | 60 | 38.1 Ų | 38.1 | 23% | 0.226 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -62.8 | -27.2 | -167.9 | 59.3 | 166.3 | -159 | -134.5 | 4.3 | 114.8 | D260 A261 A266 N267 E357 Y359 E363 | D260-R264 WeakPolarHBondContact O-CB 3.1Å; D260-R264 WeakPolarHBondContact O-CG 3.48Å; D260-R264 PolarHBondContact O-N 2.6Å; A261-R264 VanDerWaalsContact O-CG 3.29Å; A261-R264 WeakPolarHBondContact O-CG 3.39Å; R264-A266 PolarHBondContact O-N 3.15Å; R264-A266 VanDerWaalsContact O-N 3.16Å; R264-N267 WeakPolarHBondContact CA-ND2 3.35Å; R264-N267 WeakPolarHBondContact O-CB 3.37Å; R264-N267 PolarHBondContact O-N 3.3Å; R264-N267 VanDerWaalsContact O-N 3.16Å; R264-E357 WeakPolarHBondContact CD-O 3.32Å; R264-E357 VanDerWaalsContact CG-O 3.24Å; R264-E357 WeakPolarHBondContact CG-O 3.24Å; R264-E357 PolarHBondContact NE-O 2.93Å; R264-Y359 VanDerWaalsContact NH2-CA 3.31Å; R264-E363 IonicContact CZ-OE1 2.72Å; R264-E363 IonicContact CZ-OE2 3.69Å; R264-E363 IonicContact NH1-OE1 3.22Å; R264-E363 PolarHBondContact NH1-OE1 2.87Å; R264-E363 IonicContact NH1-OE2 2.79Å; R264-E363 VanDerWaalsContact NH2-CD 3.31Å; R264-E363 IonicContact NH2-OE1 3.61Å; R264-E363 PolarHBondContact NH2-OE1 2.91Å; R264-E363 IonicContact NH2-OE2 3.57Å; R264-E363 PolarHBondContact NH2-OE2 2.77Å |
| 265 | G | 96.7 | Very high | 97.4 | Very high | 14 Ų | 14 | 32 Ų | 32 | 14% | 0.144 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -61.5 | -20.7 | 172 | 0 | 0 | 0 | 0 | 0 | 114.2 | G263 | G263-G265 VanDerWaalsContact C-N 3.25Å; G263-G265 PolarHBondContact O-N 3.18Å; G263-G265 VanDerWaalsContact O-N 3.14Å |
| 266 | A | 96.2 | Very high | 97.4 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -104.6 | -2.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G263 R264 A268 V269 H272 R351 | G263-A266 PolarHBondContact O-N 3.42Å; R264-A266 PolarHBondContact O-N 3.15Å; R264-A266 VanDerWaalsContact O-N 3.16Å; A266-A268 PolarHBondContact O-N 3.18Å; A266-A268 VanDerWaalsContact O-N 3.14Å; A266-V269 PolarHBondContact O-N 2.59Å; A266-V269 VanDerWaalsContact O-N 3.07Å; A266-H272 HydrophobicContact CB-CB 3.9Å; A266-R351 HydrophobicContact CB-CB 4.14Å |
| 267 | N | 94.4 | Very high | 97.4 | Very high | 39 Ų | 39 | 28.7 Ų | 28.7 | 21% | 0.209 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -23 | -170.6 | -83.2 | -6.6 | 0 | 0 | 0 | 114.4 | G263 R264 V269 Q273 | G263-N267 PolarHBondContact O-OD1 3.22Å; R264-N267 WeakPolarHBondContact CA-ND2 3.35Å; R264-N267 WeakPolarHBondContact O-CB 3.37Å; R264-N267 PolarHBondContact O-N 3.3Å; R264-N267 VanDerWaalsContact O-N 3.16Å; N267-V269 PolarHBondContact O-N 2.9Å; N267-V269 VanDerWaalsContact O-N 3.17Å; N267-Q273 PolarHBondContact O-NE2 3.47Å; N267-Q273 VanDerWaalsContact O-NE2 3.14Å |
| 268 | A | 94.3 | Very high | 97.4 | Very high | 105 Ų | 105 | 28.5 Ų | 28.5 | 87% | 0.868 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -16.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A266 | A266-A268 PolarHBondContact O-N 3.18Å; A266-A268 VanDerWaalsContact O-N 3.14Å |
| 269 | V | 96.4 | Very high | 97.5 | Very high | 68 Ų | 68 | 28.7 Ų | 28.7 | 41% | 0.412 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -117.2 | 109.8 | 177 | -146 | 0 | 0 | 0 | 0 | 111.6 | A266 N267 R271 H272 Q273 | A266-V269 PolarHBondContact O-N 2.59Å; A266-V269 VanDerWaalsContact O-N 3.07Å; N267-V269 PolarHBondContact O-N 2.9Å; N267-V269 VanDerWaalsContact O-N 3.17Å; V269-R271 VanDerWaalsContact C-N 3.29Å; V269-R271 PolarHBondContact O-N 3.44Å; V269-H272 WeakPolarHBondContact O-CA 3.39Å; V269-H272 WeakPolarHBondContact O-CB 3.42Å; V269-H272 PolarHBondContact O-N 3.45Å; V269-Q273 PolarHBondContact O-N 3.49Å |
| 270 | A | 96.5 | Very high | 97.5 | Very high | 65 Ų | 65 | 32.2 Ų | 32.2 | 54% | 0.537 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -50.4 | -40.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | H272 Q273 | A270-H272 PolarHBondContact O-N 2.86Å; A270-Q273 WeakPolarHBondContact O-CB 3.38Å; A270-Q273 PolarHBondContact O-N 3.34Å |
| 271 | R | 96.4 | Very high | 97.5 | Very high | 100 Ų | 100 | 31.7 Ų | 31.7 | 38% | 0.377 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -70.5 | -15.9 | 178.8 | 68 | -179.3 | -167.8 | -35.9 | 10.7 | 114.3 | E220 S223 P224 V269 | E220-R271 IonicContact OE1-NH2 3.82Å; E220-R271 IonicContact OE2-CZ 3.64Å; E220-R271 IonicContact OE2-NE 3.54Å; E220-R271 PolarHBondContact OE2-NE 3.21Å; E220-R271 IonicContact OE2-NH2 2.67Å; E220-R271 PolarHBondContact OE2-NH2 3.14Å; S223-R271 VanDerWaalsContact CB-O 3.26Å; S223-R271 WeakPolarHBondContact CB-O 3.47Å; S223-R271 PolarHBondContact OG-O 2.77Å; P224-R271 WeakPolarHBondContact CD-O 3.45Å; V269-R271 VanDerWaalsContact C-N 3.29Å; V269-R271 PolarHBondContact O-N 3.44Å |
| 272 | H | 97.5 | Very high | 97.5 | Very high | 14 Ų | 14 | 35.1 Ų | 35.1 | 7% | 0.065 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -98.9 | -10.1 | 178.5 | -61.1 | 166.5 | 0 | 0 | 0 | 113.2 | E220 A266 V269 A270 R351 | E220-H272 IonicContact OE1-CE1 2.89Å; E220-H272 IonicContact OE1-NE2 3.06Å; E220-H272 PolarHBondContact OE1-NE2 3.12Å; E220-H272 IonicContact OE2-NE2 2.57Å; A266-H272 HydrophobicContact CB-CB 3.9Å; V269-H272 WeakPolarHBondContact O-CA 3.39Å; V269-H272 WeakPolarHBondContact O-CB 3.42Å; V269-H272 PolarHBondContact O-N 3.45Å; A270-H272 PolarHBondContact O-N 2.86Å; H272-R351 HydrophobicContact CB-CB 4.49Å; H272-R351 VanDerWaalsContact CD2-CZ 3.45Å; H272-R351 PolarHBondContact CE1-NH1 3.47Å; H272-R351 PolarHBondContact NE2-NH1 2.97Å; H272-R351 PolarHBondContact NE2-NH2 2.74Å |
| 273 | Q | 98 | Very high | 97.4 | Very high | 50 Ų | 50 | 35.3 Ų | 35.3 | 23% | 0.234 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -57.6 | 143.9 | 177 | -73 | 175.5 | -14.8 | 0 | 0 | 111.7 | P224 N267 V269 A270 R275 | P224-Q273 VanDerWaalsContact CB-O 3.31Å; P224-Q273 WeakPolarHBondContact CB-O 3.21Å; N267-Q273 PolarHBondContact O-NE2 3.47Å; N267-Q273 VanDerWaalsContact O-NE2 3.14Å; V269-Q273 PolarHBondContact O-N 3.49Å; A270-Q273 WeakPolarHBondContact O-CB 3.38Å; A270-Q273 PolarHBondContact O-N 3.34Å; Q273-R275 VanDerWaalsContact CB-NH1 3.27Å; Q273-R275 PolarHBondContact O-NH1 3.02Å |
| 274 | S | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -57.1 | 144 | -177.4 | -68.7 | 0 | 0 | 0 | 0 | 112.7 | Q249 I252 L349 | Q249-S274 PolarHBondContact NE2-O 2.93Å; I252-S274 VanDerWaalsContact CD1-O 3.25Å; I252-S274 WeakPolarHBondContact CD1-O 3.44Å; S274-L349 CarbonylContact C-O 3.53Å; S274-L349 VanDerWaalsContact CA-O 3.31Å; S274-L349 WeakPolarHBondContact CA-O 3.19Å | ||
| 275 | R | 98.6 | Very high | 97.4 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 13% | 0.125 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 136.4 | 174.4 | -60.5 | -67.4 | -179.3 | -90.5 | 2.3 | 109.5 | P224 V228 S247 Q249 M259 Q273 L349 | P224-R275 HydrophobicContact CB-CB 4.34Å; P224-R275 HydrophobicContact CB-CG 3.95Å; V228-R275 HydrophobicContact CG2-CB 3.7Å; V228-R275 HydrophobicContact CG2-CG 3.79Å; S247-R275 VanDerWaalsContact CB-CD 3.47Å; Q249-R275 VanDerWaalsContact NE2-NH1 3.19Å; M259-R275 VanDerWaalsContact CE-C 3.49Å; M259-R275 WeakPolarHBondContact CE-O 2.87Å; Q273-R275 VanDerWaalsContact CB-NH1 3.27Å; Q273-R275 PolarHBondContact O-NH1 3.02Å; R275-L349 HydrophobicContact CB-CB 4.2Å; R275-L349 HydrophobicContact CB-CD1 4.18Å; R275-L349 PolarHBondContact N-O 2.81Å; R275-L349 WeakPolarHBondContact O-CA 3.24Å; R275-L349 VanDerWaalsContact O-CB 3.28Å; R275-L349 WeakPolarHBondContact O-CB 3.48Å; R275-L349 PolarHBondContact O-N 2.8Å |
| 276 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 125.1 | 168.3 | -167.9 | 79.1 | 0 | 0 | 0 | 108.6 | I246 Y256 M259 K278 S346 A348 P389 | I246-L276 HydrophobicContact CB-CB 4.17Å; I246-L276 HydrophobicContact CD1-CD2 4.08Å; I246-L276 PolarHBondContact N-O 3Å; I246-L276 PolarHBondContact O-N 3.18Å; Y256-L276 HydrophobicContact CD1-CD2 4.23Å; Y256-L276 HydrophobicContact CD2-CD2 4.16Å; Y256-L276 HydrophobicContact CE1-CD2 3.62Å; Y256-L276 HydrophobicContact CE2-CD2 3.53Å; Y256-L276 HydrophobicContact CG-CD2 4.48Å; Y256-L276 WeakPolarHBondContact OH-CD2 3.07Å; M259-L276 HydrophobicContact CE-CB 4.37Å; M259-L276 HydrophobicContact SD-CB 4.46Å; M259-L276 HydrophobicContact SD-CD1 4.01Å; L276-K278 HydrophobicContact CD2-CG 4.45Å; L276-S346 WeakPolarHBondContact CD1-OG 3.22Å; L276-A348 HydrophobicContact CD1-CB 4.05Å; L276-P389 HydrophobicContact CD1-CB 4.45Å; L276-P389 HydrophobicContact CD1-CG 3.89Å |
| 277 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 124.3 | 175.2 | -171.7 | 0 | 0 | 0 | 0 | 109.1 | V228 I231 V245 F279 S346 V347 L349 | V228-V277 HydrophobicContact CG2-CG2 3.67Å; I231-V277 HydrophobicContact CD1-CB 4.49Å; I231-V277 HydrophobicContact CD1-CG1 4.45Å; I231-V277 HydrophobicContact CD1-CG2 4.23Å; I231-V277 HydrophobicContact CG2-CG1 4.3Å; V245-V277 HydrophobicContact CG2-CG1 4.34Å; V245-V277 HydrophobicContact CG2-CG2 4.44Å; V277-F279 HydrophobicContact CB-CE2 4.08Å; V277-F279 HydrophobicContact CB-CZ 4.46Å; V277-F279 HydrophobicContact CG1-CD2 4.35Å; V277-F279 HydrophobicContact CG1-CE2 3.69Å; V277-F279 HydrophobicContact CG1-CZ 3.77Å; V277-S346 CarbonylContact O-C 3.6Å; V277-S346 WeakPolarHBondContact O-CA 3.47Å; V277-V347 HydrophobicContact CB-CG2 3.74Å; V277-V347 HydrophobicContact CG2-CG2 4.32Å; V277-V347 PolarHBondContact N-O 3.3Å; V277-V347 VanDerWaalsContact N-O 3.15Å; V277-V347 PolarHBondContact O-N 2.95Å; V277-L349 HydrophobicContact CG2-CD1 4.14Å |
| 278 | K | 98.8 | Very high | 97.6 | Very high | 27 Ų | 27 | 55 Ų | 55 | 12% | 0.117 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 140.5 | 175.9 | -56.4 | -177.8 | -173.3 | -179.9 | 0 | 110.2 | L243 T244 Y256 L276 G345 E392 | L243-K278 CarbonylContact C-O 3.49Å; L243-K278 WeakPolarHBondContact CA-O 3.46Å; T244-K278 PolarHBondContact N-O 3.07Å; T244-K278 PolarHBondContact O-N 3Å; Y256-K278 VanDerWaalsContact OH-CE 3.27Å; Y256-K278 WeakPolarHBondContact OH-CE 3.49Å; Y256-K278 PolarHBondContact OH-NZ 3.35Å; L276-K278 HydrophobicContact CD2-CG 4.45Å; K278-G345 CarbonylContact C-O 3.56Å; K278-G345 WeakPolarHBondContact CA-O 3.36Å; K278-E392 IonicContact NZ-OE1 3.4Å; K278-E392 PolarHBondContact NZ-OE1 2.81Å; K278-E392 IonicContact NZ-OE2 3.71Å; K278-E392 PolarHBondContact NZ-OE2 3.27Å |
| 279 | F | 98.7 | Very high | 97.8 | Very high | 5 Ų | 5 | 52 Ų | 52 | 2% | 0.022 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 144.8 | 179.6 | -59.4 | -102.2 | 0 | 0 | 0 | 109.6 | I231 F235 V241 K242 L243 V277 V327 F330 L344 G345 V347 | I231-F279 HydrophobicContact CD1-CZ 4.08Å; I231-F279 HydrophobicContact CG1-CZ 4.41Å; I231-F279 HydrophobicContact CG2-CE1 3.66Å; I231-F279 HydrophobicContact CG2-CZ 3.65Å; F235-F279 HydrophobicContact CD2-CE1 4.21Å; F235-F279 HydrophobicContact CE2-CD1 4.42Å; F235-F279 AromaticContact CE2-CE1 3.76Å; F235-F279 HydrophobicContact CE2-CE1 3.76Å; F235-F279 HydrophobicContact CZ-CE1 4.37Å; V241-F279 HydrophobicContact CG1-CD1 4.01Å; K242-F279 CarbonylContact O-C 3.04Å; K242-F279 WeakPolarHBondContact O-CA 3.21Å; L243-F279 HydrophobicContact CD2-CD1 3.17Å; L243-F279 HydrophobicContact CD2-CE1 3.27Å; L243-F279 HydrophobicContact CD2-CG 4Å; L243-F279 HydrophobicContact CD2-CZ 4.16Å; V277-F279 HydrophobicContact CB-CE2 4.08Å; V277-F279 HydrophobicContact CB-CZ 4.46Å; V277-F279 HydrophobicContact CG1-CD2 4.35Å; V277-F279 HydrophobicContact CG1-CE2 3.69Å; V277-F279 HydrophobicContact CG1-CZ 3.77Å; F279-V327 HydrophobicContact CE2-CG2 4.29Å; F279-V327 HydrophobicContact CZ-CG1 4.38Å; F279-V327 HydrophobicContact CZ-CG2 3.82Å; F279-F330 HydrophobicContact CB-CD1 3.63Å; F279-F330 HydrophobicContact CB-CD2 3.84Å; F279-F330 HydrophobicContact CB-CE1 3.36Å; F279-F330 HydrophobicContact CB-CE2 3.62Å; F279-F330 HydrophobicContact CB-CG 3.86Å; F279-F330 HydrophobicContact CB-CZ 3.36Å; F279-F330 HydrophobicContact CD1-CB 4.12Å; F279-F330 HydrophobicContact CD1-CD1 4.17Å; F279-F330 HydrophobicContact CD1-CD2 4.25Å; F279-F330 AromaticContact CD1-CG 3.9Å; F279-F330 HydrophobicContact CD1-CG 3.9Å; F279-F330 HydrophobicContact CD2-CD2 4.45Å; F279-F330 HydrophobicContact CG-CD1 4.21Å; F279-F330 AromaticContact CG-CD2 3.95Å; F279-F330 HydrophobicContact CG-CD2 3.95Å; F279-F330 HydrophobicContact CG-CE1 4.37Å; F279-F330 HydrophobicContact CG-CE2 4.15Å; F279-F330 AromaticContact CG-CG 3.99Å; F279-F330 HydrophobicContact CG-CG 3.99Å; F279-F330 HydrophobicContact CG-CZ 4.34Å; F279-L344 WeakPolarHBondContact O-CA 3.36Å; F279-G345 PolarHBondContact N-O 2.82Å; F279-G345 PolarHBondContact O-N 2.65Å; F279-V347 HydrophobicContact CE2-CG1 4.33Å; F279-V347 HydrophobicContact CE2-CG2 3.96Å |
| 280 | Q | 98.7 | Very high | 97.9 | Very high | 73 Ų | 73 | 48.8 Ų | 48.8 | 34% | 0.341 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 123.8 | 171 | 174.6 | 177.9 | -9.2 | 0 | 0 | 110.1 | V241 K242 V282 V343 L344 | V241-Q280 WeakPolarHBondContact CA-O 3.45Å; K242-Q280 HydrophobicContact CB-CB 4.37Å; K242-Q280 PolarHBondContact N-O 3.23Å; K242-Q280 PolarHBondContact O-N 3.15Å; Q280-V282 HydrophobicContact CG-CG2 3.92Å; Q280-V282 VanDerWaalsContact NE2-CG2 3.35Å; Q280-V343 WeakPolarHBondContact CA-O 3.27Å; Q280-L344 HydrophobicContact CB-CD2 3.99Å; Q280-L344 HydrophobicContact CG-CD2 3.82Å |
| 281 | Y | 98.7 | Very high | 98 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 2% | 0.02 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 134.2 | 168.2 | 172.1 | -91.9 | 0 | 0 | 0 | 108.7 | V241 G283 L333 Q337 P338 K342 V343 | V241-Y281 HydrophobicContact CG2-CD2 4.38Å; Y281-G283 WeakPolarHBondContact OH-CA 3.31Å; Y281-L333 HydrophobicContact CD1-CD2 4.27Å; Y281-L333 HydrophobicContact CD2-CB 4.15Å; Y281-L333 HydrophobicContact CE1-CD2 4.43Å; Y281-L333 HydrophobicContact CG-CB 4.19Å; Y281-L333 HydrophobicContact CG-CD1 4.37Å; Y281-Q337 HydrophobicContact CE2-CB 4.48Å; Y281-Q337 WeakPolarHBondContact OH-CA 3.41Å; Y281-Q337 PolarHBondContact OH-O 2.91Å; Y281-P338 HydrophobicContact CE1-CG 4.13Å; Y281-P338 VanDerWaalsContact OH-N 3.14Å; Y281-P338 PolarHBondContact OH-O 3.04Å; Y281-K342 WeakPolarHBondContact O-CA 3.43Å; Y281-V343 HydrophobicContact CD1-CG2 4.19Å; Y281-V343 PolarHBondContact N-O 3.21Å; Y281-V343 PolarHBondContact O-N 2.82Å |
| 282 | V | 98.3 | Very high | 98.1 | Very high | 74 Ų | 74 | 41.4 Ų | 41.4 | 45% | 0.448 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 105.8 | 175.6 | -172.8 | 0 | 0 | 0 | 0 | 108.2 | Q280 I287 K342 | Q280-V282 HydrophobicContact CG-CG2 3.92Å; Q280-V282 VanDerWaalsContact NE2-CG2 3.35Å; V282-I287 HydrophobicContact CG1-CD1 4.05Å; V282-K342 HydrophobicContact CG2-CG 4.36Å |
| 283 | G | 97.4 | Very high | 98.2 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | trans | -67.8 | 158.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y281 L341 | Y281-G283 WeakPolarHBondContact OH-CA 3.31Å; G283-L341 PolarHBondContact N-O 3.35Å | ||
| 284 | I | 96.8 | Very high | 98.2 | Very high | 133 Ų | 133 | 38.4 Ų | 38.4 | 68% | 0.682 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -66.8 | 148.2 | 179.1 | -56.8 | 172.9 | 0 | 0 | 0 | 109.8 | N340 | I284-N340 PolarHBondContact O-N 3.34Š|
| 285 | G | 96.5 | Very high | 98.2 | Very high | 53 Ų | 53 | 38.4 Ų | 38.4 | 55% | 0.546 | 20% | 0.198 | S | C | . | . | S | Bend | trans | 88.9 | -174.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | I287 | G285-I287 PolarHBondContact O-N 3Š|
| 286 | K | 97.6 | Very high | 98.2 | Very high | 181 Ų | 181 | 37 Ų | 37 | 79% | 0.787 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -68.8 | 123.5 | -179.3 | -176 | 177.3 | 179.9 | 179.3 | 0 | 110 | K288 N340 | K286-K288 PolarHBondContact O-N 3.1Å; K286-N340 VanDerWaalsContact O-CB 3.3Å; K286-N340 WeakPolarHBondContact O-CB 3.44Å; K286-N340 PolarHBondContact O-ND2 3.46Å |
| 287 | I | 98.1 | Very high | 98.2 | Very high | 36 Ų | 36 | 37 Ų | 37 | 19% | 0.185 | 19% | 0.193 | C | C | . | . | trans | -65.1 | 127 | 177.9 | -55.6 | -53.9 | 0 | 0 | 0 | 110.1 | V282 G285 D289 N340 K342 | V282-I287 HydrophobicContact CG1-CD1 4.05Å; G285-I287 PolarHBondContact O-N 3Å; I287-D289 WeakPolarHBondContact CG2-O 3.4Å; I287-N340 WeakPolarHBondContact CA-O 3.29Å; I287-K342 HydrophobicContact CD1-CB 4.2Å; I287-K342 HydrophobicContact CG1-CB 4.37Å; I287-K342 HydrophobicContact CG2-CB 3.81Å | ||
| 288 | K | 97.2 | Very high | 98.2 | Very high | 129 Ų | 129 | 37 Ų | 37 | 56% | 0.561 | 19% | 0.193 | S | C | * | . | trans | -100.5 | -38.4 | 175.8 | -70.2 | 174.8 | -177.4 | 167.6 | 0 | 111.8 | K286 N340 V401 | K286-K288 PolarHBondContact O-N 3.1Å; K288-N340 HydrophobicContact CB-CB 4.4Å; K288-N340 HydrophobicContact CD-CB 3.95Å; K288-N340 HydrophobicContact CG-CB 4.02Å; K288-N340 PolarHBondContact N-O 2.91Å; K288-V401 WeakPolarHBondContact O-CG1 3.26Å | ||
| 289 | D | 97.4 | Very high | 98.2 | Very high | 42 Ų | 42 | 35.8 Ų | 35.8 | 23% | 0.225 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 144 | -175.8 | -62.4 | -72.8 | 0 | 0 | 0 | 110.8 | I287 L341 K342 V401 N402 | I287-D289 WeakPolarHBondContact CG2-O 3.4Å; D289-L341 HydrophobicContact CB-CD1 4.08Å; D289-K342 PolarHBondContact O-N 3.27Å; D289-V401 CarbonylContact C-O 3.55Å; D289-N402 PolarHBondContact OD1-ND2 3.21Å |
| 290 | T | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 114.2 | 172.2 | -52.7 | 0 | 0 | 0 | 0 | 110 | M292 K342 E400 V401 P403 H404 | T290-M292 HydrophobicContact CG2-CG 4.04Å; T290-M292 HydrophobicContact CG2-SD 4.36Å; T290-K342 CarbonylContact C-O 3.39Å; T290-K342 VanDerWaalsContact CA-O 3.31Å; T290-K342 WeakPolarHBondContact CA-O 3.19Å; T290-K342 HydrophobicContact CG2-CB 4.19Å; T290-K342 HydrophobicContact CG2-CD 4.12Å; T290-K342 HydrophobicContact CG2-CG 4.06Å; T290-E400 HydrophobicContact CG2-CB 3.87Å; T290-E400 HydrophobicContact CG2-CG 3.93Å; T290-V401 WeakPolarHBondContact CB-O 3.42Å; T290-V401 PolarHBondContact N-O 3.31Å; T290-V401 PolarHBondContact OG1-O 3.18Å; T290-P403 CarbonylContact O-C 3.57Å; T290-P403 WeakPolarHBondContact O-CA 3.35Å; T290-H404 PolarHBondContact O-N 3.31Å |
| 291 | L | 98.7 | Very high | 98.1 | Very high | 8 Ų | 8 | 33.7 Ų | 33.7 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 139 | 176 | -55.9 | 174 | 0 | 0 | 0 | 109.8 | F293 L341 K342 V343 L344 H404 F543 | L291-F293 HydrophobicContact CB-CD2 4.42Å; L291-F293 HydrophobicContact CB-CE2 3.7Å; L291-F293 HydrophobicContact CB-CZ 4.37Å; L291-F293 HydrophobicContact CD1-CE2 4.37Å; L291-L341 HydrophobicContact CD1-CD1 3.84Å; L291-L341 HydrophobicContact CD1-CD2 4.26Å; L291-L341 HydrophobicContact CG-CD1 3.97Å; L291-K342 PolarHBondContact N-O 2.96Å; L291-V343 HydrophobicContact CB-CG1 4.16Å; L291-V343 HydrophobicContact CB-CG2 4.26Å; L291-V343 HydrophobicContact CD1-CG2 4.34Å; L291-V343 CarbonylContact O-C 3.52Å; L291-V343 VanDerWaalsContact O-CA 3.31Å; L291-V343 WeakPolarHBondContact O-CA 3.41Å; L291-L344 PolarHBondContact O-N 2.96Å; L291-H404 HydrophobicContact CD2-CB 3.99Å; L291-F543 HydrophobicContact CD1-CB 3.48Å; L291-F543 VanDerWaalsContact CD1-CB 3.48Å; L291-F543 HydrophobicContact CD1-CD1 3.76Å; L291-F543 HydrophobicContact CD1-CD2 4.34Å; L291-F543 HydrophobicContact CD1-CG 3.61Å; L291-F543 HydrophobicContact CD2-CD1 3.59Å; L291-F543 HydrophobicContact CD2-CE1 3.75Å; L291-F543 HydrophobicContact CD2-CG 4.24Å; L291-F543 HydrophobicContact CD2-CZ 4.5Å; L291-F543 HydrophobicContact CG-CD1 4.34Å |
| 292 | M | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 110.2 | -172.8 | -54.8 | -178.1 | 68.3 | 0 | 0 | 109.6 | T290 L344 M393 R396 A397 E400 P403 H404 L405 C406 | T290-M292 HydrophobicContact CG2-CG 4.04Å; T290-M292 HydrophobicContact CG2-SD 4.36Å; M292-L344 CarbonylContact C-O 3.59Å; M292-L344 VanDerWaalsContact CA-O 3.29Å; M292-L344 WeakPolarHBondContact CA-O 3.43Å; M292-L344 HydrophobicContact CE-CD1 3.82Å; M292-L344 HydrophobicContact CG-CB 4.35Å; M292-L344 HydrophobicContact CG-CD1 4.48Å; M292-M393 HydrophobicContact CB-SD 4.19Å; M292-M393 HydrophobicContact CE-CB 3.96Å; M292-M393 HydrophobicContact CE-CG 4.34Å; M292-M393 WeakPolarHBondContact CE-O 3.33Å; M292-M393 HydrophobicContact CE-SD 3.46Å; M292-M393 WeakPolarHBondContact CE-SD 3.36Å; M292-R396 HydrophobicContact CE-CB 3.84Å; M292-A397 HydrophobicContact CE-CB 4.35Å; M292-A397 HydrophobicContact SD-CB 3.77Å; M292-E400 HydrophobicContact SD-CG 4.43Å; M292-P403 HydrophobicContact SD-CB 4.29Å; M292-H404 PolarHBondContact N-O 3.46Å; M292-L405 HydrophobicContact CB-CD1 3.87Å; M292-L405 HydrophobicContact CB-CG 3.9Å; M292-L405 HydrophobicContact CG-CD1 4.08Å; M292-L405 CarbonylContact O-C 3.58Å; M292-L405 VanDerWaalsContact O-CA 3.29Å; M292-L405 WeakPolarHBondContact O-CA 3.49Å; M292-L405 HydrophobicContact SD-CD1 3.56Å; M292-L405 VanDerWaalsContact SD-CD1 3.56Å; M292-L405 HydrophobicContact SD-CG 4.38Å; M292-C406 PolarHBondContact O-N 3.34Å |
| 293 | F | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 137.2 | -173.4 | -67.6 | -84.8 | 0 | 0 | 0 | 112.3 | L291 V326 F329 V343 L344 G345 S346 C406 I408 L539 F543 | L291-F293 HydrophobicContact CB-CD2 4.42Å; L291-F293 HydrophobicContact CB-CE2 3.7Å; L291-F293 HydrophobicContact CB-CZ 4.37Å; L291-F293 HydrophobicContact CD1-CE2 4.37Å; F293-V326 HydrophobicContact CB-CG1 3.94Å; F293-V326 HydrophobicContact CB-CG2 3.98Å; F293-F329 HydrophobicContact CD2-CD1 4.32Å; F293-F329 HydrophobicContact CD2-CE1 4.39Å; F293-F329 AromaticContact CE2-CD1 3.83Å; F293-F329 HydrophobicContact CE2-CD1 3.83Å; F293-F329 AromaticContact CE2-CE1 3.53Å; F293-F329 HydrophobicContact CE2-CE1 3.53Å; F293-F329 HydrophobicContact CZ-CD1 4.16Å; F293-F329 AromaticContact CZ-CE1 3.88Å; F293-F329 HydrophobicContact CZ-CE1 3.88Å; F293-V343 HydrophobicContact CD2-CG1 3.73Å; F293-V343 HydrophobicContact CE2-CG1 3.81Å; F293-L344 PolarHBondContact N-O 3.3Å; F293-G345 CarbonylContact O-C 3.59Å; F293-G345 WeakPolarHBondContact O-CA 3.43Å; F293-S346 PolarHBondContact O-N 2.93Å; F293-C406 CarbonylContact C-O 3.54Å; F293-C406 VanDerWaalsContact CA-O 3.31Å; F293-C406 WeakPolarHBondContact CA-O 3.46Å; F293-C406 HydrophobicContact CD1-CB 3.53Å; F293-C406 HydrophobicContact CE1-CB 3.57Å; F293-C406 HydrophobicContact CG-CB 4.47Å; F293-I408 HydrophobicContact CD1-CD1 3.92Å; F293-I408 HydrophobicContact CD1-CG1 4.38Å; F293-I408 HydrophobicContact CE1-CD1 4.26Å; F293-L539 HydrophobicContact CE1-CD1 4.18Å; F293-L539 HydrophobicContact CE1-CD2 3.98Å; F293-L539 HydrophobicContact CZ-CD2 4.36Å; F293-F543 HydrophobicContact CZ-CD2 4.23Å; F293-F543 HydrophobicContact CZ-CE2 4.29Å |
| 294 | V | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122.5 | 167.4 | 177 | 0 | 0 | 0 | 0 | 109.5 | S346 M386 P389 L390 M393 C406 T407 I408 | V294-S346 CarbonylContact C-O 3.58Å; V294-S346 VanDerWaalsContact CA-O 3.23Å; V294-S346 WeakPolarHBondContact CA-O 3.46Å; V294-M386 HydrophobicContact CG1-CB 4.04Å; V294-M386 HydrophobicContact CG1-CG 3.99Å; V294-M386 HydrophobicContact CG1-SD 4.38Å; V294-P389 HydrophobicContact CG1-CB 3.94Å; V294-P389 HydrophobicContact CG2-CB 4.32Å; V294-L390 HydrophobicContact CG2-CB 4.39Å; V294-L390 HydrophobicContact CG2-CD1 4.32Å; V294-M393 HydrophobicContact CG2-CB 4.48Å; V294-M393 HydrophobicContact CG2-CG 3.79Å; V294-C406 PolarHBondContact N-O 3.19Å; V294-T407 HydrophobicContact CB-CG2 3.93Å; V294-T407 HydrophobicContact CG1-CG2 4.36Å; V294-T407 CarbonylContact O-C 3.45Å; V294-T407 WeakPolarHBondContact O-CA 3.37Å; V294-I408 PolarHBondContact O-N 3.5Å |
| 295 | G | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 132.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | G297 S346 A348 I408 | G295-G297 PolarHBondContact O-N 2.97Å; G295-S346 PolarHBondContact N-O 3.02Å; G295-A348 PolarHBondContact O-N 2.95Å; G295-I408 WeakPolarHBondContact CA-O 3.45Å |
| 296 | K | 98.7 | Very high | 97.7 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 2% | 0.022 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 118.8 | 169.7 | -179.7 | -171.3 | 174 | 177 | 0 | 110.1 | V298 D319 K320 A323 E381 I385 M386 I408 A409 T410 L411 | K296-V298 HydrophobicContact CD-CG2 4.37Å; K296-V298 HydrophobicContact CG-CG2 3.99Å; K296-D319 WeakPolarHBondContact CE-OD1 3.42Å; K296-D319 WeakPolarHBondContact CE-OD2 3.31Å; K296-D319 IonicContact NZ-OD1 3.49Å; K296-D319 PolarHBondContact NZ-OD1 2.79Å; K296-D319 IonicContact NZ-OD2 2.83Å; K296-D319 PolarHBondContact NZ-OD2 2.72Å; K296-K320 CarbonylContact O-C 3.51Å; K296-A323 WeakPolarHBondContact O-CB 3.05Å; K296-A323 PolarHBondContact O-N 3.15Å; K296-E381 WeakPolarHBondContact CE-OE1 3.29Å; K296-E381 IonicContact NZ-OE1 3.34Å; K296-E381 PolarHBondContact NZ-OE1 3.32Å; K296-I385 HydrophobicContact CG-CD1 4.16Å; K296-M386 HydrophobicContact CB-CE 4.29Å; K296-M386 HydrophobicContact CB-CG 4.35Å; K296-M386 HydrophobicContact CB-SD 3.88Å; K296-I408 PolarHBondContact N-O 3.07Å; K296-A409 HydrophobicContact CB-CB 3.5Å; K296-A409 HydrophobicContact CD-CB 3.95Å; K296-A409 HydrophobicContact CG-CB 4.31Å; K296-T410 PolarHBondContact NZ-O 2.86Å; K296-L411 HydrophobicContact CD-CD1 4.33Å |
| 297 | G | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 50.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G295 T299 A348 L349 V350 | G295-G297 PolarHBondContact O-N 2.97Å; G297-T299 PolarHBondContact O-N 3.01Å; G297-T299 VanDerWaalsContact O-N 3.17Å; G297-A348 CarbonylContact C-O 3.42Å; G297-A348 WeakPolarHBondContact CA-O 3.05Å; G297-A348 PolarHBondContact N-O 2.94Å; G297-L349 VanDerWaalsContact O-CA 3.29Å; G297-L349 WeakPolarHBondContact O-CA 3.35Å; G297-V350 PolarHBondContact O-N 2.84Å |
| 298 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 104.7 | 176.8 | -175.6 | 0 | 0 | 0 | 0 | 108.7 | K296 L300 D301 D319 K320 V350 N352 E381 I385 | K296-V298 HydrophobicContact CD-CG2 4.37Å; K296-V298 HydrophobicContact CG-CG2 3.99Å; V298-L300 VanDerWaalsContact C-N 3.3Å; V298-L300 WeakPolarHBondContact CG1-O 3.36Å; V298-L300 PolarHBondContact O-N 3.4Å; V298-D301 HydrophobicContact CG1-CB 3.71Å; V298-D319 HydrophobicContact CB-CB 4.16Å; V298-D319 WeakPolarHBondContact CB-OD2 3.3Å; V298-D319 PolarHBondContact N-O 3Å; V298-D319 CarbonylContact O-C 3.59Å; V298-K320 PolarHBondContact O-N 2.88Å; V298-K320 VanDerWaalsContact O-N 3.07Å; V298-V350 HydrophobicContact CB-CG2 4.43Å; V298-V350 HydrophobicContact CG1-CG2 4.47Å; V298-V350 HydrophobicContact CG2-CG2 3.91Å; V298-N352 HydrophobicContact CG1-CB 4.13Å; V298-E381 HydrophobicContact CG1-CG 4.39Å; V298-E381 HydrophobicContact CG2-CG 3.93Å; V298-I385 HydrophobicContact CG2-CD1 3.64Å |
| 299 | T | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | -26.7 | -169.3 | 57.5 | 0 | 0 | 0 | 0 | 114.2 | P219 P224 I227 G297 K320 V350 | P219-T299 WeakPolarHBondContact CB-O 3.34Å; P224-T299 WeakPolarHBondContact CD-OG1 3.34Å; P224-T299 HydrophobicContact CG-CG2 3.75Å; I227-T299 HydrophobicContact CD1-CG2 3.57Å; G297-T299 PolarHBondContact O-N 3.01Å; G297-T299 VanDerWaalsContact O-N 3.17Å; T299-K320 HydrophobicContact CG2-CD 4.38Å; T299-V350 PolarHBondContact N-O 2.48Å; T299-V350 PolarHBondContact OG1-O 2.74Å |
| 300 | L | 97.7 | Very high | 97 | Very high | 33 Ų | 33 | 25 Ų | 25 | 17% | 0.173 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 133.3 | 163.1 | 178 | 65 | 0 | 0 | 0 | 106.8 | P219 V298 T302 R351 N352 | P219-L300 HydrophobicContact CB-CB 3.81Å; P219-L300 HydrophobicContact CB-CD1 4.29Å; P219-L300 HydrophobicContact CB-CD2 4.38Å; P219-L300 HydrophobicContact CB-CG 4.39Å; P219-L300 HydrophobicContact CG-CD1 4.32Å; P219-L300 HydrophobicContact CG-CD2 4.4Å; V298-L300 VanDerWaalsContact C-N 3.3Å; V298-L300 WeakPolarHBondContact CG1-O 3.36Å; V298-L300 PolarHBondContact O-N 3.4Å; L300-T302 HydrophobicContact CD2-CG2 4.38Å; L300-T302 HydrophobicContact CG-CG2 4.47Å; L300-R351 HydrophobicContact CB-CG 4.03Å; L300-N352 PolarHBondContact O-N 3.26Å; L300-N352 VanDerWaalsContact O-N 3.16Å |
| 301 | D | 97.5 | Very high | 96.6 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.011 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 105.3 | 175.2 | -176.2 | 21.6 | 0 | 0 | 0 | 111 | V298 G303 K308 M316 D319 N352 | V298-D301 HydrophobicContact CG1-CB 3.71Å; D301-G303 VanDerWaalsContact C-N 3.28Å; D301-G303 WeakPolarHBondContact OD1-CA 3.31Å; D301-G303 PolarHBondContact OD1-N 2.87Å; D301-K308 VanDerWaalsContact O-CE 3.31Å; D301-K308 WeakPolarHBondContact O-CE 3.48Å; D301-K308 WeakPolarHBondContact OD2-CE 3.26Å; D301-K308 IonicContact OD2-NZ 3.67Å; D301-K308 PolarHBondContact OD2-NZ 2.84Å; D301-M316 HydrophobicContact CB-CB 4.15Å; D301-M316 PolarHBondContact N-O 2.84Å; D301-M316 WeakPolarHBondContact O-CB 3.33Å; D301-D319 HydrophobicContact CB-CB 4.19Å; D301-D319 WeakPolarHBondContact CB-OD2 3.42Å; D301-N352 PolarHBondContact OD1-ND2 2.92Å |
| 302 | T | 97.1 | Very high | 96.2 | Very high | 17 Ų | 17 | 33.3 Ų | 33.3 | 10% | 0.104 | 21% | 0.206 | C | C | . | . | trans | -82.3 | -9.3 | 172.3 | 70.4 | 0 | 0 | 0 | 0 | 112.6 | L300 G304 I307 K308 M313 N352 | L300-T302 HydrophobicContact CD2-CG2 4.38Å; L300-T302 HydrophobicContact CG-CG2 4.47Å; T302-G304 VanDerWaalsContact C-N 3.34Å; T302-G304 PolarHBondContact OG1-N 2.91Å; T302-I307 WeakPolarHBondContact O-CA 3.43Å; T302-K308 PolarHBondContact O-N 2.86Å; T302-M313 HydrophobicContact CG2-CE 4.35Å; T302-M313 HydrophobicContact CG2-SD 4.27Å; T302-N352 WeakPolarHBondContact CG2-O 3.22Å; T302-N352 PolarHBondContact N-O 2.82Å; T302-N352 PolarHBondContact OG1-O 2.84Å | ||
| 303 | G | 95.6 | Very high | 96 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | 83.3 | 1.6 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D301 N306 T378 D379 | D301-G303 VanDerWaalsContact C-N 3.28Å; D301-G303 WeakPolarHBondContact OD1-CA 3.31Å; D301-G303 PolarHBondContact OD1-N 2.87Å; G303-N306 CarbonylContact O-C 3.1Å; G303-N306 PolarHBondContact O-N 3.22Å; G303-T378 CarbonylContact O-C 3.58Å; G303-T378 WeakPolarHBondContact O-CB 3.02Å; G303-T378 PolarHBondContact O-OG1 3.37Å; G303-D379 WeakPolarHBondContact CA-OD1 3.33Å; G303-D379 PolarHBondContact O-N 3.49Å | ||
| 304 | G | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | -141.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T302 N306 I307 N352 V354 | T302-G304 VanDerWaalsContact C-N 3.34Å; T302-G304 PolarHBondContact OG1-N 2.91Å; G304-N306 VanDerWaalsContact C-N 3.27Å; G304-N306 PolarHBondContact O-N 3Å; G304-I307 WeakPolarHBondContact O-CA 3.45Å; G304-I307 PolarHBondContact O-N 2.8Å; G304-N352 PolarHBondContact N-ND2 3.15Å; G304-V354 WeakPolarHBondContact O-CG2 3.45Å |
| 305 | L | 96.2 | Very high | 95.5 | Very high | 83 Ų | 83 | 41 Ų | 41 | 44% | 0.435 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -26.9 | 178.1 | -65.7 | -176.4 | 0 | 0 | 0 | 113 | I307 V354 T378 | L305-I307 PolarHBondContact O-N 2.83Å; L305-V354 HydrophobicContact CD2-CG1 4.18Å; L305-T378 PolarHBondContact N-OG1 2.98Å |
| 306 | N | 94.5 | Very high | 95.4 | Very high | 58 Ų | 58 | 43.4 Ų | 43.4 | 31% | 0.31 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -78.1 | 60.1 | 162.7 | -65.2 | 100.9 | 0 | 0 | 0 | 110.9 | G303 G304 K308 N377 T378 D379 | G303-N306 CarbonylContact O-C 3.1Å; G303-N306 PolarHBondContact O-N 3.22Å; G304-N306 VanDerWaalsContact C-N 3.27Å; G304-N306 PolarHBondContact O-N 3Å; N306-K308 PolarHBondContact O-N 3.23Å; N306-N377 WeakPolarHBondContact CB-OD1 3.38Å; N306-N377 VanDerWaalsContact CG-OD1 3.29Å; N306-N377 WeakPolarHBondContact OD1-CA 3.39Å; N306-T378 WeakPolarHBondContact CB-OG1 3.29Å; N306-T378 PolarHBondContact N-OG1 2.91Å; N306-T378 PolarHBondContact OD1-N 3.1Å; N306-T378 PolarHBondContact OD1-OG1 2.92Å; N306-D379 HydrophobicContact CB-CB 4.47Å |
| 307 | I | 95.6 | Very high | 95.2 | Very high | 91 Ų | 91 | 43.8 Ų | 43.8 | 47% | 0.467 | 26% | 0.263 | S | S | . | . | trans | -56.4 | 135.2 | -169.8 | -167 | 162.6 | 0 | 0 | 0 | 113.3 | T302 G304 L305 V309 M313 V354 | T302-I307 WeakPolarHBondContact O-CA 3.43Å; G304-I307 WeakPolarHBondContact O-CA 3.45Å; G304-I307 PolarHBondContact O-N 2.8Å; L305-I307 PolarHBondContact O-N 2.83Å; I307-V309 HydrophobicContact CG2-CG1 4.17Å; I307-V309 PolarHBondContact O-N 3.49Å; I307-M313 HydrophobicContact CD1-CE 4.44Å; I307-M313 HydrophobicContact CG1-CE 4.06Å; I307-V354 HydrophobicContact CD1-CG2 4.4Å | ||
| 308 | K | 94.5 | Very high | 95.1 | Very high | 34 Ų | 34 | 44.7 Ų | 44.7 | 15% | 0.148 | 27% | 0.266 | C | S | . | . | trans | -67.9 | 118.9 | 173.9 | -67.9 | -177.6 | -159 | -76.5 | 0 | 110.6 | D301 T302 N306 A312 M313 M316 D379 | D301-K308 VanDerWaalsContact O-CE 3.31Å; D301-K308 WeakPolarHBondContact O-CE 3.48Å; D301-K308 WeakPolarHBondContact OD2-CE 3.26Å; D301-K308 IonicContact OD2-NZ 3.67Å; D301-K308 PolarHBondContact OD2-NZ 2.84Å; T302-K308 PolarHBondContact O-N 2.86Å; N306-K308 PolarHBondContact O-N 3.23Å; K308-A312 HydrophobicContact CB-CB 4.12Å; K308-M313 HydrophobicContact CB-CB 4.03Å; K308-M313 HydrophobicContact CB-CE 4.42Å; K308-M313 HydrophobicContact CD-CB 4.5Å; K308-M316 HydrophobicContact CD-CG 3.68Å; K308-M316 HydrophobicContact CD-SD 4.09Å; K308-M316 VanDerWaalsContact CE-SD 3.59Å; K308-D379 WeakPolarHBondContact CE-OD1 3.43Å; K308-D379 WeakPolarHBondContact CG-OD1 3.46Å; K308-D379 VanDerWaalsContact NZ-CG 3.29Å; K308-D379 IonicContact NZ-OD1 2.79Å; K308-D379 PolarHBondContact NZ-OD1 3.41Å; K308-D379 IonicContact NZ-OD2 3.09Å; K308-D379 PolarHBondContact NZ-OD2 2.92Å | ||
| 309 | V | 94 | Very high | 95 | Very high | 112 Ų | 112 | 45.1 Ų | 45.1 | 68% | 0.679 | 27% | 0.269 | S | S | * | . | trans | -110 | 170.7 | 178.2 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | I307 N311 A312 | I307-V309 HydrophobicContact CG2-CG1 4.17Å; I307-V309 PolarHBondContact O-N 3.49Å; V309-N311 PolarHBondContact O-N 3.49Å; V309-A312 VanDerWaalsContact O-CB 3.29Å; V309-A312 WeakPolarHBondContact O-CB 3.43Å; V309-A312 PolarHBondContact O-N 3.04Å | ||
| 310 | G | 91.9 | Very high | 95 | Very high | 81 Ų | 81 | 45.1 Ų | 45.1 | 84% | 0.835 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 36.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | A312 | G310-A312 VanDerWaalsContact C-N 3.27Å; G310-A312 PolarHBondContact O-N 3.29Å |
| 311 | N | 90.2 | Very high | 95 | Very high | 126 Ų | 126 | 43.8 Ų | 43.8 | 67% | 0.674 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 1.7 | -177 | -163.6 | 44.4 | 0 | 0 | 0 | 115.5 | V309 M313 N314 | V309-N311 PolarHBondContact O-N 3.49Å; N311-M313 PolarHBondContact O-N 3.43Å; N311-M313 VanDerWaalsContact O-N 3.16Å; N311-N314 WeakPolarHBondContact O-CB 3.45Å; N311-N314 PolarHBondContact O-N 2.85Å; N311-N314 WeakPolarHBondContact OD1-CB 3.31Å; N311-N314 PolarHBondContact OD1-ND2 3.43Å |
| 312 | A | 90.8 | Very high | 95 | Very high | 55 Ų | 55 | 43.7 Ų | 43.7 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -19.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K308 V309 G310 N314 M316 | K308-A312 HydrophobicContact CB-CB 4.12Å; V309-A312 VanDerWaalsContact O-CB 3.29Å; V309-A312 WeakPolarHBondContact O-CB 3.43Å; V309-A312 PolarHBondContact O-N 3.04Å; G310-A312 VanDerWaalsContact C-N 3.27Å; G310-A312 PolarHBondContact O-N 3.29Å; A312-N314 VanDerWaalsContact C-N 3.35Å; A312-M316 WeakPolarHBondContact O-CG 3.25Å |
| 313 | M | 94.1 | Very high | 95.1 | Very high | 64 Ų | 64 | 42.9 Ų | 42.9 | 32% | 0.315 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -22 | 175.3 | -163.4 | -178.6 | -61.9 | 0 | 0 | 113 | T302 I307 K308 N311 G315 M316 | T302-M313 HydrophobicContact CG2-CE 4.35Å; T302-M313 HydrophobicContact CG2-SD 4.27Å; I307-M313 HydrophobicContact CD1-CE 4.44Å; I307-M313 HydrophobicContact CG1-CE 4.06Å; K308-M313 HydrophobicContact CB-CB 4.03Å; K308-M313 HydrophobicContact CB-CE 4.42Å; K308-M313 HydrophobicContact CD-CB 4.5Å; N311-M313 PolarHBondContact O-N 3.43Å; N311-M313 VanDerWaalsContact O-N 3.16Å; M313-G315 PolarHBondContact O-N 3.15Å; M313-M316 VanDerWaalsContact O-CB 3.24Å; M313-M316 WeakPolarHBondContact O-CB 3.46Å; M313-M316 VanDerWaalsContact O-CG 3.29Å; M313-M316 WeakPolarHBondContact O-CG 3.44Å; M313-M316 PolarHBondContact O-N 3.02Å; M313-M316 VanDerWaalsContact O-N 3.09Å |
| 314 | N | 93.4 | Very high | 95.2 | Very high | 90 Ų | 90 | 43 Ų | 43 | 48% | 0.481 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | 129.5 | -177.8 | -168.2 | 11.7 | 0 | 0 | 0 | 110.5 | N311 A312 M316 F527 | N311-N314 WeakPolarHBondContact O-CB 3.45Å; N311-N314 PolarHBondContact O-N 2.85Å; N311-N314 WeakPolarHBondContact OD1-CB 3.31Å; N311-N314 PolarHBondContact OD1-ND2 3.43Å; A312-N314 VanDerWaalsContact C-N 3.35Å; N314-M316 VanDerWaalsContact C-N 3.32Å; N314-F527 WeakPolarHBondContact OD1-CE1 3.49Å; N314-F527 WeakPolarHBondContact OD1-CZ 3.42Å |
| 315 | G | 93.7 | Very high | 95.3 | Very high | 9 Ų | 9 | 43 Ų | 43 | 9% | 0.093 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | -3.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | M313 S317 R318 | M313-G315 PolarHBondContact O-N 3.15Å; G315-S317 PolarHBondContact O-N 2.7Å; G315-S317 VanDerWaalsContact O-N 3.1Å; G315-R318 WeakPolarHBondContact O-CB 3.4Å; G315-R318 PolarHBondContact O-N 3.32Å |
| 316 | M | 95.6 | Very high | 95.5 | Very high | 51 Ų | 51 | 39 Ų | 39 | 25% | 0.251 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -70.5 | -1.6 | 176.7 | -65.1 | -63.1 | 100.6 | 0 | 0 | 114.2 | D301 K308 A312 M313 N314 R318 D319 | D301-M316 HydrophobicContact CB-CB 4.15Å; D301-M316 PolarHBondContact N-O 2.84Å; D301-M316 WeakPolarHBondContact O-CB 3.33Å; K308-M316 HydrophobicContact CD-CG 3.68Å; K308-M316 HydrophobicContact CD-SD 4.09Å; K308-M316 VanDerWaalsContact CE-SD 3.59Å; A312-M316 WeakPolarHBondContact O-CG 3.25Å; M313-M316 VanDerWaalsContact O-CB 3.24Å; M313-M316 WeakPolarHBondContact O-CB 3.46Å; M313-M316 VanDerWaalsContact O-CG 3.29Å; M313-M316 WeakPolarHBondContact O-CG 3.44Å; M313-M316 PolarHBondContact O-N 3.02Å; M313-M316 VanDerWaalsContact O-N 3.09Å; N314-M316 VanDerWaalsContact C-N 3.32Å; M316-R318 PolarHBondContact O-N 2.87Å; M316-D319 VanDerWaalsContact O-CB 3.29Å; M316-D319 WeakPolarHBondContact O-CB 3.28Å; M316-D319 PolarHBondContact O-N 2.67Å |
| 317 | S | 95.5 | Very high | 95.7 | Very high | 14 Ų | 14 | 36.3 Ų | 36.3 | 10% | 0.098 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -63.3 | -22.4 | 160.8 | 59.3 | 0 | 0 | 0 | 0 | 112.2 | G315 D319 K320 | G315-S317 PolarHBondContact O-N 2.7Å; G315-S317 VanDerWaalsContact O-N 3.1Å; S317-D319 PolarHBondContact O-N 2.68Å; S317-K320 WeakPolarHBondContact O-CE 3.03Å; S317-K320 WeakPolarHBondContact O-CG 3.29Å; S317-K320 PolarHBondContact O-NZ 2.74Å |
| 318 | R | 95.9 | Very high | 95.8 | Very high | 18 Ų | 18 | 32 Ų | 32 | 7% | 0.068 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -78.3 | 0.1 | 176.5 | -65.2 | -166 | 177.2 | 169.2 | 14.1 | 114.1 | G315 M316 K320 C321 N524 T526 P528 Q529 | G315-R318 WeakPolarHBondContact O-CB 3.4Å; G315-R318 PolarHBondContact O-N 3.32Å; M316-R318 PolarHBondContact O-N 2.87Å; R318-K320 PolarHBondContact O-N 2.91Å; R318-C321 WeakPolarHBondContact O-CB 3.41Å; R318-C321 PolarHBondContact O-N 2.98Å; R318-C321 PolarHBondContact O-SG 2.63Å; R318-N524 PolarHBondContact NH1-O 2.77Å; R318-T526 PolarHBondContact NH1-O 3.31Å; R318-P528 VanDerWaalsContact NH2-C 3.33Å; R318-P528 PolarHBondContact NH2-O 2.78Å; R318-Q529 PolarHBondContact NH1-O 2.81Å; R318-Q529 PolarHBondContact NH2-O 3.02Å |
| 319 | D | 96.9 | Very high | 96 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 5% | 0.053 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -73.7 | 5.7 | -174.2 | -156.3 | 31.3 | 0 | 0 | 0 | 114.5 | K296 V298 D301 M316 S317 T410 | K296-D319 WeakPolarHBondContact CE-OD1 3.42Å; K296-D319 WeakPolarHBondContact CE-OD2 3.31Å; K296-D319 IonicContact NZ-OD1 3.49Å; K296-D319 PolarHBondContact NZ-OD1 2.79Å; K296-D319 IonicContact NZ-OD2 2.83Å; K296-D319 PolarHBondContact NZ-OD2 2.72Å; V298-D319 HydrophobicContact CB-CB 4.16Å; V298-D319 WeakPolarHBondContact CB-OD2 3.3Å; V298-D319 PolarHBondContact N-O 3Å; V298-D319 CarbonylContact O-C 3.59Å; D301-D319 HydrophobicContact CB-CB 4.19Å; D301-D319 WeakPolarHBondContact CB-OD2 3.42Å; M316-D319 VanDerWaalsContact O-CB 3.29Å; M316-D319 WeakPolarHBondContact O-CB 3.28Å; M316-D319 PolarHBondContact O-N 2.67Å; S317-D319 PolarHBondContact O-N 2.68Å; D319-T410 WeakPolarHBondContact CA-OG1 3.13Å; D319-T410 PolarHBondContact O-OG1 2.91Å; D319-T410 WeakPolarHBondContact OD1-CB 3.31Å; D319-T410 PolarHBondContact OD1-OG1 3.33Å |
| 320 | K | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -102.4 | 0.9 | 170.8 | 56.8 | 176.4 | -178.6 | -90 | 0 | 113.7 | I214 S217 M222 I227 K296 V298 T299 S317 R318 G322 A323 A324 | I214-K320 HydrophobicContact CG2-CD 4.34Å; I214-K320 WeakPolarHBondContact O-CE 3.49Å; S217-K320 PolarHBondContact O-NZ 3.08Å; M222-K320 HydrophobicContact CB-CD 4.28Å; I227-K320 HydrophobicContact CD1-CD 3.73Å; K296-K320 CarbonylContact O-C 3.51Å; V298-K320 PolarHBondContact O-N 2.88Å; V298-K320 VanDerWaalsContact O-N 3.07Å; T299-K320 HydrophobicContact CG2-CD 4.38Å; S317-K320 WeakPolarHBondContact O-CE 3.03Å; S317-K320 WeakPolarHBondContact O-CG 3.29Å; S317-K320 PolarHBondContact O-NZ 2.74Å; R318-K320 PolarHBondContact O-N 2.91Å; K320-G322 PolarHBondContact O-N 3.14Å; K320-A323 PolarHBondContact O-N 2.79Å; K320-A324 PolarHBondContact O-N 3.05Å |
| 321 | C | 97.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 21.1 Ų | 21.1 | 3% | 0.027 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.4 | -28.2 | -177.5 | -81.1 | 0 | 0 | 0 | 0 | 113.2 | R318 A324 A325 T410 N524 | R318-C321 WeakPolarHBondContact O-CB 3.41Å; R318-C321 PolarHBondContact O-N 2.98Å; R318-C321 PolarHBondContact O-SG 2.63Å; C321-A324 WeakPolarHBondContact O-CB 3.42Å; C321-A324 PolarHBondContact O-N 3.37Å; C321-A325 WeakPolarHBondContact O-CB 3.18Å; C321-A325 PolarHBondContact O-N 2.95Å; C321-T410 HydrophobicContact CB-CG2 3.92Å; C321-N524 VanDerWaalsContact CB-CG 3.5Å; C321-N524 WeakPolarHBondContact CB-ND2 3.39Å; C321-N524 WeakPolarHBondContact CB-OD1 3.44Å; C321-N524 PolarHBondContact SG-OD1 2.97Å; C321-N524 VanDerWaalsContact SG-OD1 3.34Å |
| 322 | G | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.4 | -47.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K320 A325 V326 I408 | K320-G322 PolarHBondContact O-N 3.14Å; G322-A325 PolarHBondContact O-N 3.37Å; G322-V326 PolarHBondContact O-N 3.3Å; G322-I408 VanDerWaalsContact CA-O 3.27Å; G322-I408 WeakPolarHBondContact CA-O 3.42Å |
| 323 | A | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.008 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.2 | -45.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K296 K320 A325 V326 V327 V347 L349 | K296-A323 WeakPolarHBondContact O-CB 3.05Å; K296-A323 PolarHBondContact O-N 3.15Å; K320-A323 PolarHBondContact O-N 2.79Å; A323-A325 VanDerWaalsContact C-N 3.28Å; A323-A325 PolarHBondContact O-N 3.32Å; A323-V326 WeakPolarHBondContact O-CB 3.45Å; A323-V326 PolarHBondContact O-N 2.81Å; A323-V326 VanDerWaalsContact O-N 3.1Å; A323-V327 WeakPolarHBondContact O-CG2 3.47Å; A323-V327 PolarHBondContact O-N 2.95Å; A323-V347 HydrophobicContact CB-CB 3.75Å; A323-V347 HydrophobicContact CB-CG1 3.87Å; A323-L349 HydrophobicContact CB-CD2 4.07Å |
| 324 | A | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.008 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -57.3 | -40.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A211 I214 K320 C321 V327 G328 | A211-A324 HydrophobicContact CB-CB 4.28Å; A211-A324 WeakPolarHBondContact CB-O 3.36Å; A211-A324 WeakPolarHBondContact O-CB 2.98Å; I214-A324 HydrophobicContact CB-CB 3.8Å; I214-A324 HydrophobicContact CG2-CB 3.69Å; K320-A324 PolarHBondContact O-N 3.05Å; C321-A324 WeakPolarHBondContact O-CB 3.42Å; C321-A324 PolarHBondContact O-N 3.37Å; A324-V327 PolarHBondContact O-N 2.58Å; A324-G328 PolarHBondContact O-N 2.93Å |
| 325 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -65.4 | -38.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | C321 G322 A323 G328 F329 I408 M520 C534 V536 | C321-A325 WeakPolarHBondContact O-CB 3.18Å; C321-A325 PolarHBondContact O-N 2.95Å; G322-A325 PolarHBondContact O-N 3.37Å; A323-A325 VanDerWaalsContact C-N 3.28Å; A323-A325 PolarHBondContact O-N 3.32Å; A325-G328 PolarHBondContact O-N 3.19Å; A325-F329 WeakPolarHBondContact O-CB 3.4Å; A325-F329 PolarHBondContact O-N 2.92Å; A325-I408 HydrophobicContact CB-CG2 4.24Å; A325-M520 HydrophobicContact CB-SD 4.25Å; A325-C534 WeakPolarHBondContact CB-O 3.44Å; A325-V536 HydrophobicContact CB-CG2 4.37Å |
| 326 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -61.5 | -48.4 | 173.4 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | F293 G322 A323 G328 F329 F330 V347 I408 | F293-V326 HydrophobicContact CB-CG1 3.94Å; F293-V326 HydrophobicContact CB-CG2 3.98Å; G322-V326 PolarHBondContact O-N 3.3Å; A323-V326 WeakPolarHBondContact O-CB 3.45Å; A323-V326 PolarHBondContact O-N 2.81Å; A323-V326 VanDerWaalsContact O-N 3.1Å; V326-G328 VanDerWaalsContact C-N 3.33Å; V326-G328 PolarHBondContact O-N 2.87Å; V326-F329 PolarHBondContact O-N 2.94Å; V326-F330 HydrophobicContact CG1-CD2 4.02Å; V326-F330 HydrophobicContact CG1-CE2 4.07Å; V326-F330 WeakPolarHBondContact O-CD2 3.49Å; V326-F330 PolarHBondContact O-N 2.73Å; V326-V347 HydrophobicContact CB-CG1 3.82Å; V326-V347 HydrophobicContact CG1-CG1 3.88Å; V326-V347 HydrophobicContact CG2-CG1 4.47Å; V326-I408 HydrophobicContact CG2-CB 4.5Å; V326-I408 HydrophobicContact CG2-CD1 3.96Å; V326-I408 HydrophobicContact CG2-CG1 4.39Å |
| 327 | V | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.006 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59.8 | -44.9 | 177.1 | -175.4 | 0 | 0 | 0 | 0 | 110.9 | V210 I214 I231 F235 F279 A323 A324 F329 F330 K331 V347 | V210-V327 HydrophobicContact CG1-CB 4.29Å; V210-V327 HydrophobicContact CG1-CG1 3.64Å; I214-V327 HydrophobicContact CD1-CB 3.99Å; I214-V327 HydrophobicContact CD1-CG1 3.85Å; I214-V327 HydrophobicContact CD1-CG2 4.08Å; I231-V327 HydrophobicContact CD1-CG2 3.89Å; I231-V327 HydrophobicContact CG1-CG1 3.89Å; I231-V327 HydrophobicContact CG1-CG2 4.11Å; F235-V327 HydrophobicContact CE2-CG1 4.01Å; F279-V327 HydrophobicContact CE2-CG2 4.29Å; F279-V327 HydrophobicContact CZ-CG1 4.38Å; F279-V327 HydrophobicContact CZ-CG2 3.82Å; A323-V327 WeakPolarHBondContact O-CG2 3.47Å; A323-V327 PolarHBondContact O-N 2.95Å; A324-V327 PolarHBondContact O-N 2.58Å; V327-F329 VanDerWaalsContact C-N 3.34Å; V327-F329 PolarHBondContact O-N 3.05Å; V327-F330 PolarHBondContact O-N 2.95Å; V327-K331 PolarHBondContact O-N 2.84Å; V327-V347 HydrophobicContact CG2-CG1 4.43Å |
| 328 | G | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -58.8 | -42.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G207 A324 A325 V326 K331 V332 | G207-G328 WeakPolarHBondContact CA-O 3.34Å; G207-G328 WeakPolarHBondContact O-CA 3.27Å; A324-G328 PolarHBondContact O-N 2.93Å; A325-G328 PolarHBondContact O-N 3.19Å; V326-G328 VanDerWaalsContact C-N 3.33Å; V326-G328 PolarHBondContact O-N 2.87Å; G328-K331 WeakPolarHBondContact O-CB 3.27Å; G328-K331 PolarHBondContact O-N 3.38Å; G328-K331 VanDerWaalsContact O-N 3.12Å; G328-V332 WeakPolarHBondContact O-CG2 3.47Å; G328-V332 PolarHBondContact O-N 2.71Å; G328-V332 VanDerWaalsContact O-N 3.09Å |
| 329 | F | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.6 | -39.9 | 175.2 | -175.2 | -112 | 0 | 0 | 0 | 112.4 | F293 A325 V326 V327 K331 V332 L333 V343 L539 F543 I544 | F293-F329 HydrophobicContact CD2-CD1 4.32Å; F293-F329 HydrophobicContact CD2-CE1 4.39Å; F293-F329 AromaticContact CE2-CD1 3.83Å; F293-F329 HydrophobicContact CE2-CD1 3.83Å; F293-F329 AromaticContact CE2-CE1 3.53Å; F293-F329 HydrophobicContact CE2-CE1 3.53Å; F293-F329 HydrophobicContact CZ-CD1 4.16Å; F293-F329 AromaticContact CZ-CE1 3.88Å; F293-F329 HydrophobicContact CZ-CE1 3.88Å; A325-F329 WeakPolarHBondContact O-CB 3.4Å; A325-F329 PolarHBondContact O-N 2.92Å; V326-F329 PolarHBondContact O-N 2.94Å; V327-F329 VanDerWaalsContact C-N 3.34Å; V327-F329 PolarHBondContact O-N 3.05Å; F329-K331 PolarHBondContact O-N 3.34Å; F329-V332 WeakPolarHBondContact O-CB 3.23Å; F329-V332 PolarHBondContact O-N 2.95Å; F329-V332 VanDerWaalsContact O-N 3.1Å; F329-L333 HydrophobicContact CD1-CD1 4.01Å; F329-L333 HydrophobicContact CD1-CG 4.47Å; F329-L333 HydrophobicContact CE1-CD1 3.81Å; F329-L333 HydrophobicContact CE1-CD2 4.43Å; F329-L333 HydrophobicContact CE1-CG 4.19Å; F329-L333 HydrophobicContact CZ-CD2 4.37Å; F329-L333 HydrophobicContact CZ-CG 4.44Å; F329-L333 WeakPolarHBondContact O-CG 3.32Å; F329-L333 PolarHBondContact O-N 3.33Å; F329-V343 HydrophobicContact CE1-CG1 4.25Å; F329-L539 HydrophobicContact CB-CD1 4.36Å; F329-L539 HydrophobicContact CD2-CB 3.66Å; F329-L539 HydrophobicContact CD2-CD1 4.33Å; F329-L539 HydrophobicContact CE2-CB 3.72Å; F329-L539 HydrophobicContact CG-CB 4.38Å; F329-L539 HydrophobicContact CG-CD1 4.28Å; F329-L539 HydrophobicContact CZ-CB 4.47Å; F329-F543 HydrophobicContact CZ-CB 4.23Å; F329-I544 HydrophobicContact CE2-CD1 3.67Å; F329-I544 HydrophobicContact CE2-CG1 4Å; F329-I544 HydrophobicContact CZ-CD1 3.96Å; F329-I544 HydrophobicContact CZ-CG1 3.98Å |
| 330 | F | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.6 | -31.9 | 171.6 | -89 | -84.6 | 0 | 0 | 0 | 112.8 | F235 V241 F279 V326 V327 V332 L333 D334 V343 | F235-F330 HydrophobicContact CE1-CB 4.27Å; F235-F330 HydrophobicContact CZ-CB 3.79Å; V241-F330 HydrophobicContact CG1-CD1 3.88Å; V241-F330 HydrophobicContact CG2-CD1 4.2Å; F279-F330 HydrophobicContact CB-CD1 3.63Å; F279-F330 HydrophobicContact CB-CD2 3.84Å; F279-F330 HydrophobicContact CB-CE1 3.36Å; F279-F330 HydrophobicContact CB-CE2 3.62Å; F279-F330 HydrophobicContact CB-CG 3.86Å; F279-F330 HydrophobicContact CB-CZ 3.36Å; F279-F330 HydrophobicContact CD1-CB 4.12Å; F279-F330 HydrophobicContact CD1-CD1 4.17Å; F279-F330 HydrophobicContact CD1-CD2 4.25Å; F279-F330 AromaticContact CD1-CG 3.9Å; F279-F330 HydrophobicContact CD1-CG 3.9Å; F279-F330 HydrophobicContact CD2-CD2 4.45Å; F279-F330 HydrophobicContact CG-CD1 4.21Å; F279-F330 AromaticContact CG-CD2 3.95Å; F279-F330 HydrophobicContact CG-CD2 3.95Å; F279-F330 HydrophobicContact CG-CE1 4.37Å; F279-F330 HydrophobicContact CG-CE2 4.15Å; F279-F330 AromaticContact CG-CG 3.99Å; F279-F330 HydrophobicContact CG-CG 3.99Å; F279-F330 HydrophobicContact CG-CZ 4.34Å; V326-F330 HydrophobicContact CG1-CD2 4.02Å; V326-F330 HydrophobicContact CG1-CE2 4.07Å; V326-F330 WeakPolarHBondContact O-CD2 3.49Å; V326-F330 PolarHBondContact O-N 2.73Å; V327-F330 PolarHBondContact O-N 2.95Å; F330-V332 VanDerWaalsContact C-N 3.35Å; F330-L333 HydrophobicContact CD1-CD1 4.05Å; F330-L333 HydrophobicContact CE1-CD1 4.19Å; F330-L333 HydrophobicContact CG-CD1 4.39Å; F330-L333 PolarHBondContact O-N 3.29Å; F330-D334 WeakPolarHBondContact O-CB 3.4Å; F330-D334 PolarHBondContact O-N 2.88Å; F330-V343 HydrophobicContact CE1-CB 4.28Å; F330-V343 HydrophobicContact CE1-CG1 4.19Å; F330-V343 HydrophobicContact CE2-CG1 4.04Å; F330-V343 HydrophobicContact CZ-CB 4.1Å; F330-V343 HydrophobicContact CZ-CG1 3.58Å |
| 331 | K | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.5 | -36.4 | 172.6 | -177.2 | 58.1 | -176.3 | 170.5 | 0 | 112.3 | F6 V210 T234 F235 V327 G328 F329 D334 L335 | F6-K331 WeakPolarHBondContact O-CE 3.47Å; V210-K331 HydrophobicContact CG2-CB 4.43Å; V210-K331 HydrophobicContact CG2-CG 4.18Å; T234-K331 HydrophobicContact CG2-CD 4.07Å; F235-K331 HydrophobicContact CE1-CD 4.49Å; F235-K331 HydrophobicContact CZ-CB 4.25Å; V327-K331 PolarHBondContact O-N 2.84Å; G328-K331 WeakPolarHBondContact O-CB 3.27Å; G328-K331 PolarHBondContact O-N 3.38Å; G328-K331 VanDerWaalsContact O-N 3.12Å; F329-K331 PolarHBondContact O-N 3.34Å; K331-D334 IonicContact NZ-OD2 2.93Å; K331-D334 PolarHBondContact NZ-OD2 2.85Å; K331-D334 PolarHBondContact O-N 3.4Å; K331-L335 HydrophobicContact CG-CD1 4.43Å; K331-L335 WeakPolarHBondContact O-CG 3.47Å; K331-L335 PolarHBondContact O-N 2.88Å |
| 332 | V | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 172.3 | -176.7 | 0 | 0 | 0 | 0 | 110.9 | A203 G328 F329 F330 D334 L335 L336 V536 T540 I544 | A203-V332 HydrophobicContact CB-CG1 4.3Å; G328-V332 WeakPolarHBondContact O-CG2 3.47Å; G328-V332 PolarHBondContact O-N 2.71Å; G328-V332 VanDerWaalsContact O-N 3.09Å; F329-V332 WeakPolarHBondContact O-CB 3.23Å; F329-V332 PolarHBondContact O-N 2.95Å; F329-V332 VanDerWaalsContact O-N 3.1Å; F330-V332 VanDerWaalsContact C-N 3.35Å; V332-D334 VanDerWaalsContact C-N 3.33Å; V332-D334 PolarHBondContact O-N 3.05Å; V332-L335 PolarHBondContact O-N 2.95Å; V332-L336 HydrophobicContact CG1-CD1 3.55Å; V332-L336 HydrophobicContact CG1-CG 4.06Å; V332-L336 WeakPolarHBondContact O-CB 3.31Å; V332-L336 PolarHBondContact O-N 2.82Å; V332-V536 HydrophobicContact CG2-CG1 3.7Å; V332-T540 HydrophobicContact CG1-CG2 3.89Å; V332-I544 HydrophobicContact CB-CD1 4.4Å; V332-I544 HydrophobicContact CG1-CD1 3.76Å |
| 333 | L | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.1 | -41.5 | 176.8 | -68.8 | 168.9 | 0 | 0 | 0 | 112.3 | Y281 F329 F330 L335 Q337 P338 L341 V343 I544 | Y281-L333 HydrophobicContact CD1-CD2 4.27Å; Y281-L333 HydrophobicContact CD2-CB 4.15Å; Y281-L333 HydrophobicContact CE1-CD2 4.43Å; Y281-L333 HydrophobicContact CG-CB 4.19Å; Y281-L333 HydrophobicContact CG-CD1 4.37Å; F329-L333 HydrophobicContact CD1-CD1 4.01Å; F329-L333 HydrophobicContact CD1-CG 4.47Å; F329-L333 HydrophobicContact CE1-CD1 3.81Å; F329-L333 HydrophobicContact CE1-CD2 4.43Å; F329-L333 HydrophobicContact CE1-CG 4.19Å; F329-L333 HydrophobicContact CZ-CD2 4.37Å; F329-L333 HydrophobicContact CZ-CG 4.44Å; F329-L333 WeakPolarHBondContact O-CG 3.32Å; F329-L333 PolarHBondContact O-N 3.33Å; F330-L333 HydrophobicContact CD1-CD1 4.05Å; F330-L333 HydrophobicContact CE1-CD1 4.19Å; F330-L333 HydrophobicContact CG-CD1 4.39Å; F330-L333 PolarHBondContact O-N 3.29Å; L333-L335 VanDerWaalsContact C-N 3.26Å; L333-L335 PolarHBondContact O-N 3.01Å; L333-Q337 VanDerWaalsContact O-CA 3.28Å; L333-Q337 WeakPolarHBondContact O-CA 3.46Å; L333-Q337 PolarHBondContact O-N 3.22Å; L333-P338 HydrophobicContact CD2-CG 3.7Å; L333-L341 HydrophobicContact CD2-CD2 4.04Å; L333-V343 HydrophobicContact CD1-CB 3.67Å; L333-V343 HydrophobicContact CD1-CG1 3.81Å; L333-V343 HydrophobicContact CD1-CG2 3.58Å; L333-V343 HydrophobicContact CD2-CG2 4.07Å; L333-I544 HydrophobicContact CD2-CD1 3.63Å; L333-I544 HydrophobicContact CD2-CG1 4Å; L333-I544 HydrophobicContact CG-CD1 4.2Å |
| 334 | D | 97 | Very high | 97.6 | Very high | 14 Ų | 14 | 22.4 Ų | 22.4 | 8% | 0.075 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.6 | -37.1 | 177.5 | 176.5 | 54.2 | 0 | 0 | 0 | 112.8 | F235 S238 S240 V241 F330 K331 V332 Q337 | F235-D334 HydrophobicContact CD1-CB 4.38Å; F235-D334 HydrophobicContact CE1-CB 4.04Å; S238-D334 VanDerWaalsContact CB-OD1 3.29Å; S238-D334 WeakPolarHBondContact CB-OD1 3.43Å; S238-D334 PolarHBondContact OG-OD1 3.36Å; S240-D334 WeakPolarHBondContact OG-CA 3.21Å; S240-D334 PolarHBondContact OG-OD1 3Å; S240-D334 VanDerWaalsContact OG-OD1 3.12Å; V241-D334 HydrophobicContact CG2-CB 3.93Å; F330-D334 WeakPolarHBondContact O-CB 3.4Å; F330-D334 PolarHBondContact O-N 2.88Å; K331-D334 IonicContact NZ-OD2 2.93Å; K331-D334 PolarHBondContact NZ-OD2 2.85Å; K331-D334 PolarHBondContact O-N 3.4Å; V332-D334 VanDerWaalsContact C-N 3.33Å; V332-D334 PolarHBondContact O-N 3.05Å; D334-Q337 VanDerWaalsContact O-CG 3.27Å; D334-Q337 WeakPolarHBondContact O-CG 3.21Å; D334-Q337 PolarHBondContact O-NE2 3.49Å; D334-Q337 VanDerWaalsContact O-NE2 3.09Å |
| 335 | L | 95.1 | Very high | 97.6 | Very high | 53 Ų | 53 | 22.4 Ų | 22.4 | 28% | 0.277 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -83.9 | -41 | -178.7 | -66.4 | 174 | 0 | 0 | 0 | 113.2 | Q7 A203 K331 V332 L333 | Q7-L335 HydrophobicContact CG-CD2 4.44Å; A203-L335 HydrophobicContact CB-CB 3.98Å; A203-L335 HydrophobicContact CB-CD1 4.1Å; K331-L335 HydrophobicContact CG-CD1 4.43Å; K331-L335 WeakPolarHBondContact O-CG 3.47Å; K331-L335 PolarHBondContact O-N 2.88Å; V332-L335 PolarHBondContact O-N 2.95Å; L333-L335 VanDerWaalsContact C-N 3.26Å; L333-L335 PolarHBondContact O-N 3.01Å |
| 336 | L | 94.6 | Very high | 97.6 | Very high | 54 Ų | 54 | 22.5 Ų | 22.5 | 28% | 0.283 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -90.3 | -25 | -175.3 | -64.4 | -176.1 | 0 | 0 | 0 | 113.8 | L200 A203 V332 T540 I544 | L200-L336 HydrophobicContact CD1-CD1 3.67Å; A203-L336 HydrophobicContact CB-CD1 4.15Å; A203-L336 HydrophobicContact CB-CD2 3.61Å; A203-L336 HydrophobicContact CB-CG 3.68Å; V332-L336 HydrophobicContact CG1-CD1 3.55Å; V332-L336 HydrophobicContact CG1-CG 4.06Å; V332-L336 WeakPolarHBondContact O-CB 3.31Å; V332-L336 PolarHBondContact O-N 2.82Å; L336-T540 HydrophobicContact CD1-CG2 4.28Å; L336-I544 HydrophobicContact CD1-CG2 3.98Å |
| 337 | Q | 96 | Very high | 97.6 | Very high | 101 Ų | 101 | 22.5 Ų | 22.5 | 47% | 0.472 | 11% | 0.112 | S | C | . | . | trans | 43 | 57.4 | 179.1 | -56.7 | -176 | 6.3 | 0 | 0 | 114.2 | Y281 L333 D334 E339 | Y281-Q337 HydrophobicContact CE2-CB 4.48Å; Y281-Q337 WeakPolarHBondContact OH-CA 3.41Å; Y281-Q337 PolarHBondContact OH-O 2.91Å; L333-Q337 VanDerWaalsContact O-CA 3.28Å; L333-Q337 WeakPolarHBondContact O-CA 3.46Å; L333-Q337 PolarHBondContact O-N 3.22Å; D334-Q337 VanDerWaalsContact O-CG 3.27Å; D334-Q337 WeakPolarHBondContact O-CG 3.21Å; D334-Q337 PolarHBondContact O-NE2 3.49Å; D334-Q337 VanDerWaalsContact O-NE2 3.09Å; Q337-E339 PolarHBondContact O-N 2.87Å | ||
| 338 | P | 95.6 | Very high | 97.6 | Very high | 21 Ų | 21 | 22.4 Ų | 22.4 | 14% | 0.136 | 11% | 0.111 | C | C | . | . | trans | -61.5 | 130.4 | -179 | 27.3 | -35.6 | 0 | 0 | 0 | 113.3 | Y281 L333 L341 I544 | Y281-P338 HydrophobicContact CE1-CG 4.13Å; Y281-P338 VanDerWaalsContact OH-N 3.14Å; Y281-P338 PolarHBondContact OH-O 3.04Å; L333-P338 HydrophobicContact CD2-CG 3.7Å; P338-L341 HydrophobicContact CB-CD2 4.47Å; P338-L341 HydrophobicContact CG-CB 4.48Å; P338-L341 HydrophobicContact CG-CD2 3.85Å; P338-I544 HydrophobicContact CB-CG2 4.09Å; P338-I544 HydrophobicContact CG-CG1 4.35Å; P338-I544 HydrophobicContact CG-CG2 4.14Å | ||
| 339 | E | 96.2 | Very high | 97.6 | Very high | 134 Ų | 134 | 22.4 Ų | 22.4 | 63% | 0.626 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 160.3 | 176.7 | -61.5 | -177.7 | -172.1 | 0 | 0 | 112.7 | Q337 L341 | Q337-E339 PolarHBondContact O-N 2.87Å; E339-L341 PolarHBondContact O-N 3.19Å |
| 340 | N | 97.1 | Very high | 97.6 | Very high | 40 Ų | 40 | 22.4 Ų | 22.4 | 21% | 0.214 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 10.3 | 176.3 | -48 | 126.5 | 0 | 0 | 0 | 116.1 | I284 K286 I287 K288 | I284-N340 PolarHBondContact O-N 3.34Å; K286-N340 VanDerWaalsContact O-CB 3.3Å; K286-N340 WeakPolarHBondContact O-CB 3.44Å; K286-N340 PolarHBondContact O-ND2 3.46Å; I287-N340 WeakPolarHBondContact CA-O 3.29Å; K288-N340 HydrophobicContact CB-CB 4.4Å; K288-N340 HydrophobicContact CD-CB 3.95Å; K288-N340 HydrophobicContact CG-CB 4.02Å; K288-N340 PolarHBondContact N-O 2.91Å |
| 341 | L | 98.1 | Very high | 97.6 | Very high | 11 Ų | 11 | 23 Ų | 23 | 6% | 0.058 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 132.6 | -177.6 | -176.2 | 64.6 | 0 | 0 | 0 | 111 | G283 D289 L291 L333 P338 E339 V343 | G283-L341 PolarHBondContact N-O 3.35Å; D289-L341 HydrophobicContact CB-CD1 4.08Å; L291-L341 HydrophobicContact CD1-CD1 3.84Å; L291-L341 HydrophobicContact CD1-CD2 4.26Å; L291-L341 HydrophobicContact CG-CD1 3.97Å; L333-L341 HydrophobicContact CD2-CD2 4.04Å; P338-L341 HydrophobicContact CB-CD2 4.47Å; P338-L341 HydrophobicContact CG-CB 4.48Å; P338-L341 HydrophobicContact CG-CD2 3.85Å; E339-L341 PolarHBondContact O-N 3.19Å; L341-V343 HydrophobicContact CD1-CG2 4.39Å; L341-V343 HydrophobicContact CD2-CG2 3.75Å; L341-V343 HydrophobicContact CG-CG2 3.75Å |
| 342 | K | 98.6 | Very high | 97.6 | Very high | 36 Ų | 36 | 23 Ų | 23 | 16% | 0.157 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 133.6 | 166.4 | -178.8 | 174.6 | 172.9 | -173.9 | 0 | 109.2 | Y281 V282 I287 D289 T290 L291 E400 | Y281-K342 WeakPolarHBondContact O-CA 3.43Å; V282-K342 HydrophobicContact CG2-CG 4.36Å; I287-K342 HydrophobicContact CD1-CB 4.2Å; I287-K342 HydrophobicContact CG1-CB 4.37Å; I287-K342 HydrophobicContact CG2-CB 3.81Å; D289-K342 PolarHBondContact O-N 3.27Å; T290-K342 CarbonylContact C-O 3.39Å; T290-K342 VanDerWaalsContact CA-O 3.31Å; T290-K342 WeakPolarHBondContact CA-O 3.19Å; T290-K342 HydrophobicContact CG2-CB 4.19Å; T290-K342 HydrophobicContact CG2-CD 4.12Å; T290-K342 HydrophobicContact CG2-CG 4.06Å; L291-K342 PolarHBondContact N-O 2.96Å; K342-E400 WeakPolarHBondContact CE-OE2 3.48Å; K342-E400 IonicContact NZ-OE1 3.29Å; K342-E400 PolarHBondContact NZ-OE1 2.78Å; K342-E400 IonicContact NZ-OE2 2.74Å; K342-E400 PolarHBondContact NZ-OE2 2.98Å |
| 343 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 127.3 | 175.8 | -168 | 0 | 0 | 0 | 0 | 110.2 | Q280 Y281 L291 F293 F329 F330 L333 L341 | Q280-V343 WeakPolarHBondContact CA-O 3.27Å; Y281-V343 HydrophobicContact CD1-CG2 4.19Å; Y281-V343 PolarHBondContact N-O 3.21Å; Y281-V343 PolarHBondContact O-N 2.82Å; L291-V343 HydrophobicContact CB-CG1 4.16Å; L291-V343 HydrophobicContact CB-CG2 4.26Å; L291-V343 HydrophobicContact CD1-CG2 4.34Å; L291-V343 CarbonylContact O-C 3.52Å; L291-V343 VanDerWaalsContact O-CA 3.31Å; L291-V343 WeakPolarHBondContact O-CA 3.41Å; F293-V343 HydrophobicContact CD2-CG1 3.73Å; F293-V343 HydrophobicContact CE2-CG1 3.81Å; F329-V343 HydrophobicContact CE1-CG1 4.25Å; F330-V343 HydrophobicContact CE1-CB 4.28Å; F330-V343 HydrophobicContact CE1-CG1 4.19Å; F330-V343 HydrophobicContact CE2-CG1 4.04Å; F330-V343 HydrophobicContact CZ-CB 4.1Å; F330-V343 HydrophobicContact CZ-CG1 3.58Å; L333-V343 HydrophobicContact CD1-CB 3.67Å; L333-V343 HydrophobicContact CD1-CG1 3.81Å; L333-V343 HydrophobicContact CD1-CG2 3.58Å; L333-V343 HydrophobicContact CD2-CG2 4.07Å; L341-V343 HydrophobicContact CD1-CG2 4.39Å; L341-V343 HydrophobicContact CD2-CG2 3.75Å; L341-V343 HydrophobicContact CG-CG2 3.75Å |
| 344 | L | 98.8 | Very high | 97.5 | Very high | 5 Ų | 5 | 27.7 Ų | 27.7 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 138.1 | 172.8 | -58.8 | 178.4 | 0 | 0 | 0 | 108.7 | F279 Q280 L291 M292 F293 M393 | F279-L344 WeakPolarHBondContact O-CA 3.36Å; Q280-L344 HydrophobicContact CB-CD2 3.99Å; Q280-L344 HydrophobicContact CG-CD2 3.82Å; L291-L344 PolarHBondContact O-N 2.96Å; M292-L344 CarbonylContact C-O 3.59Å; M292-L344 VanDerWaalsContact CA-O 3.29Å; M292-L344 WeakPolarHBondContact CA-O 3.43Å; M292-L344 HydrophobicContact CE-CD1 3.82Å; M292-L344 HydrophobicContact CG-CB 4.35Å; M292-L344 HydrophobicContact CG-CD1 4.48Å; F293-L344 PolarHBondContact N-O 3.3Å; L344-M393 HydrophobicContact CB-CE 4.3Å; L344-M393 HydrophobicContact CB-SD 4.21Å |
| 345 | G | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 147.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | K278 F279 F293 | K278-G345 CarbonylContact C-O 3.56Å; K278-G345 WeakPolarHBondContact CA-O 3.36Å; F279-G345 PolarHBondContact N-O 2.82Å; F279-G345 PolarHBondContact O-N 2.65Å; F293-G345 CarbonylContact O-C 3.59Å; F293-G345 WeakPolarHBondContact O-CA 3.43Å |
| 346 | S | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 122.1 | 169.6 | -170.7 | 0 | 0 | 0 | 0 | 109.6 | L276 V277 F293 V294 G295 | L276-S346 WeakPolarHBondContact CD1-OG 3.22Å; V277-S346 CarbonylContact O-C 3.6Å; V277-S346 WeakPolarHBondContact O-CA 3.47Å; F293-S346 PolarHBondContact O-N 2.93Å; V294-S346 CarbonylContact C-O 3.58Å; V294-S346 VanDerWaalsContact CA-O 3.23Å; V294-S346 WeakPolarHBondContact CA-O 3.46Å; G295-S346 PolarHBondContact N-O 3.02Å |
| 347 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122.3 | 176.4 | -61 | 0 | 0 | 0 | 0 | 109.6 | V277 F279 A323 V326 V327 L349 | V277-V347 HydrophobicContact CB-CG2 3.74Å; V277-V347 HydrophobicContact CG2-CG2 4.32Å; V277-V347 PolarHBondContact N-O 3.3Å; V277-V347 VanDerWaalsContact N-O 3.15Å; V277-V347 PolarHBondContact O-N 2.95Å; F279-V347 HydrophobicContact CE2-CG1 4.33Å; F279-V347 HydrophobicContact CE2-CG2 3.96Å; A323-V347 HydrophobicContact CB-CB 3.75Å; A323-V347 HydrophobicContact CB-CG1 3.87Å; V326-V347 HydrophobicContact CB-CG1 3.82Å; V326-V347 HydrophobicContact CG1-CG1 3.88Å; V326-V347 HydrophobicContact CG2-CG1 4.47Å; V327-V347 HydrophobicContact CG2-CG1 4.43Å; V347-L349 HydrophobicContact CB-CD2 4.46Å; V347-L349 HydrophobicContact CG2-CD2 4.23Å; V347-L349 HydrophobicContact CG2-CG 4.31Å |
| 348 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 102.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | M259 L276 G295 G297 I385 P389 | M259-A348 HydrophobicContact CE-CB 4.34Å; M259-A348 HydrophobicContact SD-CB 3.97Å; L276-A348 HydrophobicContact CD1-CB 4.05Å; G295-A348 PolarHBondContact O-N 2.95Å; G297-A348 CarbonylContact C-O 3.42Å; G297-A348 WeakPolarHBondContact CA-O 3.05Å; G297-A348 PolarHBondContact N-O 2.94Å; A348-I385 HydrophobicContact CB-CB 4.38Å; A348-I385 HydrophobicContact CB-CD1 4.11Å; A348-I385 HydrophobicContact CB-CG1 4.3Å; A348-P389 HydrophobicContact CB-CG 4.24Å |
| 349 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 113.8 | -178.9 | -49.9 | 174.4 | 0 | 0 | 0 | 109.5 | P224 I227 V228 M259 S274 R275 V277 G297 A323 V347 | P224-L349 HydrophobicContact CB-CB 3.96Å; I227-L349 HydrophobicContact CB-CD1 3.94Å; I227-L349 HydrophobicContact CD1-CD2 4.15Å; I227-L349 HydrophobicContact CG2-CD1 3.63Å; I227-L349 HydrophobicContact CG2-CD2 4.05Å; V228-L349 HydrophobicContact CG2-CD1 4.05Å; M259-L349 WeakPolarHBondContact CE-O 3.35Å; S274-L349 CarbonylContact C-O 3.53Å; S274-L349 VanDerWaalsContact CA-O 3.31Å; S274-L349 WeakPolarHBondContact CA-O 3.19Å; R275-L349 HydrophobicContact CB-CB 4.2Å; R275-L349 HydrophobicContact CB-CD1 4.18Å; R275-L349 PolarHBondContact N-O 2.81Å; R275-L349 WeakPolarHBondContact O-CA 3.24Å; R275-L349 VanDerWaalsContact O-CB 3.28Å; R275-L349 WeakPolarHBondContact O-CB 3.48Å; R275-L349 PolarHBondContact O-N 2.8Å; V277-L349 HydrophobicContact CG2-CD1 4.14Å; G297-L349 VanDerWaalsContact O-CA 3.29Å; G297-L349 WeakPolarHBondContact O-CA 3.35Å; A323-L349 HydrophobicContact CB-CD2 4.07Å; V347-L349 HydrophobicContact CB-CD2 4.46Å; V347-L349 HydrophobicContact CG2-CD2 4.23Å; V347-L349 HydrophobicContact CG2-CG 4.31Å |
| 350 | V | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 171.1 | 177.7 | -56.6 | 0 | 0 | 0 | 0 | 110.3 | M259 V262 G297 V298 T299 I385 | M259-V350 HydrophobicContact CE-CG1 3.83Å; M259-V350 HydrophobicContact CG-CG1 3.52Å; V262-V350 HydrophobicContact CG1-CG2 3.92Å; G297-V350 PolarHBondContact O-N 2.84Å; V298-V350 HydrophobicContact CB-CG2 4.43Å; V298-V350 HydrophobicContact CG1-CG2 4.47Å; V298-V350 HydrophobicContact CG2-CG2 3.91Å; T299-V350 PolarHBondContact N-O 2.48Å; T299-V350 PolarHBondContact OG1-O 2.74Å; V350-I385 HydrophobicContact CG1-CG2 4.13Å; V350-I385 HydrophobicContact CG2-CD1 3.84Å; V350-I385 HydrophobicContact CG2-CG2 3.89Å |
| 351 | R | 98 | Very high | 97.2 | Very high | 13 Ų | 13 | 26.2 Ų | 26.2 | 5% | 0.049 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 121 | 160.6 | -171.9 | 177.1 | -83.4 | -157.6 | 4.6 | 108.8 | P219 E220 A266 H272 L300 S353 | P219-R351 VanDerWaalsContact C-NH2 3.27Å; P219-R351 PolarHBondContact O-NH2 2.77Å; E220-R351 IonicContact OE1-CZ 3.43Å; E220-R351 IonicContact OE1-NH1 3.62Å; E220-R351 PolarHBondContact OE1-NH1 2.89Å; E220-R351 IonicContact OE1-NH2 2.77Å; E220-R351 PolarHBondContact OE1-NH2 3.48Å; A266-R351 HydrophobicContact CB-CB 4.14Å; H272-R351 HydrophobicContact CB-CB 4.49Å; H272-R351 VanDerWaalsContact CD2-CZ 3.45Å; H272-R351 PolarHBondContact CE1-NH1 3.47Å; H272-R351 PolarHBondContact NE2-NH1 2.97Å; H272-R351 PolarHBondContact NE2-NH2 2.74Å; L300-R351 HydrophobicContact CB-CG 4.03Å; R351-S353 WeakPolarHBondContact CD-OG 3.44Å; R351-S353 WeakPolarHBondContact CG-OG 3.48Å; R351-S353 PolarHBondContact O-N 2.64Å |
| 352 | N | 98 | Very high | 97 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 111.3 | 173.4 | -170.6 | 18.7 | 0 | 0 | 0 | 107.7 | V262 V298 L300 D301 T302 G304 T378 E381 | V262-N352 HydrophobicContact CG1-CB 4.21Å; V298-N352 HydrophobicContact CG1-CB 4.13Å; L300-N352 PolarHBondContact O-N 3.26Å; L300-N352 VanDerWaalsContact O-N 3.16Å; D301-N352 PolarHBondContact OD1-ND2 2.92Å; T302-N352 WeakPolarHBondContact CG2-O 3.22Å; T302-N352 PolarHBondContact N-O 2.82Å; T302-N352 PolarHBondContact OG1-O 2.84Å; G304-N352 PolarHBondContact N-ND2 3.15Å; N352-T378 PolarHBondContact ND2-O 2.9Å; N352-E381 HydrophobicContact CB-CG 3.92Å; N352-E381 WeakPolarHBondContact ND2-CG 3.38Å |
| 353 | S | 96.6 | Very high | 96.9 | Very high | 19 Ų | 19 | 31.8 Ų | 31.8 | 13% | 0.133 | 19% | 0.188 | C | C | . | . | trans | -132.8 | 161 | -171.7 | -70.5 | 0 | 0 | 0 | 0 | 111.8 | R351 S358 | R351-S353 WeakPolarHBondContact CD-OG 3.44Å; R351-S353 WeakPolarHBondContact CG-OG 3.48Å; R351-S353 PolarHBondContact O-N 2.64Å; S353-S358 PolarHBondContact O-OG 3.47Å | ||
| 354 | V | 96.4 | Very high | 96.8 | Very high | 79 Ų | 79 | 34.7 Ų | 34.7 | 48% | 0.479 | 20% | 0.203 | S | C | . | . | trans | -96.6 | 122.5 | 169.7 | -179.2 | 0 | 0 | 0 | 0 | 109 | G304 L305 I307 S358 | G304-V354 WeakPolarHBondContact O-CG2 3.45Å; L305-V354 HydrophobicContact CD2-CG1 4.18Å; I307-V354 HydrophobicContact CD1-CG2 4.4Å; V354-S358 WeakPolarHBondContact CA-OG 3.49Å | ||
| 355 | G | 92.6 | Very high | 96.8 | Very high | 23 Ų | 23 | 35.2 Ų | 35.2 | 24% | 0.237 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -163.3 | 175.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | E357 S358 | G355-E357 PolarHBondContact O-N 2.94Å; G355-E357 VanDerWaalsContact O-N 3.17Å; G355-S358 PolarHBondContact N-OG 3.09Å; G355-S358 WeakPolarHBondContact O-CB 3.39Å; G355-S358 PolarHBondContact O-N 2.63Å; G355-S358 VanDerWaalsContact O-N 3.12Å; G355-S358 PolarHBondContact O-OG 2.77Å |
| 356 | P | 94.9 | Very high | 96.8 | Very high | 132 Ų | 132 | 38.9 Ų | 38.9 | 86% | 0.857 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -25.7 | -178.6 | 24.4 | -33.8 | 0 | 0 | 0 | 113.3 | ||
| 357 | E | 95.9 | Very high | 96.8 | Very high | 122 Ų | 122 | 39 Ų | 39 | 57% | 0.57 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 7.3 | -179.6 | -60.7 | -58.2 | 134 | 0 | 0 | 113.4 | R264 G355 Y359 | R264-E357 WeakPolarHBondContact CD-O 3.32Å; R264-E357 VanDerWaalsContact CG-O 3.24Å; R264-E357 WeakPolarHBondContact CG-O 3.24Å; R264-E357 PolarHBondContact NE-O 2.93Å; G355-E357 PolarHBondContact O-N 2.94Å; G355-E357 VanDerWaalsContact O-N 3.17Å; E357-Y359 PolarHBondContact O-N 2.9Å |
| 358 | S | 96.9 | Very high | 96.7 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | trans | -56 | 137.8 | 179 | -69.6 | 0 | 0 | 0 | 0 | 111.2 | S353 V354 G355 | S353-S358 PolarHBondContact O-OG 3.47Å; V354-S358 WeakPolarHBondContact CA-OG 3.49Å; G355-S358 PolarHBondContact N-OG 3.09Å; G355-S358 WeakPolarHBondContact O-CB 3.39Å; G355-S358 PolarHBondContact O-N 2.63Å; G355-S358 VanDerWaalsContact O-N 3.12Å; G355-S358 PolarHBondContact O-OG 2.77Å | ||
| 359 | Y | 95.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | trans | -65.4 | 149.7 | 166.2 | 82.9 | -54.1 | 0 | 0 | 0 | 111.2 | A261 V262 R264 E357 E363 L365 I375 T378 E381 | A261-Y359 VanDerWaalsContact O-CB 3.31Å; A261-Y359 WeakPolarHBondContact O-CB 3.24Å; A261-Y359 WeakPolarHBondContact O-CD1 3.19Å; V262-Y359 HydrophobicContact CB-CE1 4.4Å; V262-Y359 HydrophobicContact CG2-CE1 4.15Å; V262-Y359 HydrophobicContact CG2-CE2 4.2Å; R264-Y359 VanDerWaalsContact NH2-CA 3.31Å; E357-Y359 PolarHBondContact O-N 2.9Å; Y359-E363 WeakPolarHBondContact CB-OE2 3.47Å; Y359-L365 HydrophobicContact CD2-CD1 4.32Å; Y359-I375 HydrophobicContact CD2-CG1 4.07Å; Y359-I375 HydrophobicContact CD2-CG2 3.89Å; Y359-I375 HydrophobicContact CE2-CB 4.49Å; Y359-I375 HydrophobicContact CE2-CD1 4.18Å; Y359-I375 HydrophobicContact CE2-CG1 4.12Å; Y359-I375 HydrophobicContact CE2-CG2 3.59Å; Y359-T378 HydrophobicContact CD1-CG2 4.21Å; Y359-T378 HydrophobicContact CD2-CG2 4.31Å; Y359-T378 HydrophobicContact CE1-CG2 3.88Å; Y359-T378 HydrophobicContact CE2-CG2 4Å; Y359-T378 HydrophobicContact CG-CG2 4.41Å; Y359-T378 WeakPolarHBondContact O-CG2 3.37Å; Y359-T378 VanDerWaalsContact OH-CA 3.3Å; Y359-T378 WeakPolarHBondContact OH-CA 3.46Å; Y359-T378 PolarHBondContact OH-O 3.09Å; Y359-E381 WeakPolarHBondContact OH-CB 3.34Å | ||
| 360 | S | 95.8 | Very high | 96.7 | Very high | 45 Ų | 45 | 46.1 Ų | 46.1 | 32% | 0.315 | 28% | 0.275 | S | S | . | . | trans | -118.3 | 157.7 | -170 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | E363 I375 | S360-E363 WeakPolarHBondContact O-CB 3.07Å; S360-E363 PolarHBondContact O-N 3.47Å; S360-I375 WeakPolarHBondContact O-CG2 3.5Å | ||
| 361 | C | 92.9 | Very high | 96.6 | Very high | 48 Ų | 48 | 48.6 Ų | 48.6 | 32% | 0.324 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 150.2 | 158.9 | 60.7 | 0 | 0 | 0 | 0 | 110 | E363 I375 | C361-E363 PolarHBondContact O-N 2.84Å; C361-I375 CarbonylContact C-O 3.59Å |
| 362 | D | 94 | Very high | 96.7 | Very high | 110 Ų | 110 | 52.3 Ų | 52.3 | 59% | 0.588 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | -5.6 | -175.2 | -57.1 | -41 | 0 | 0 | 0 | 116.9 | R374 I375 | D362-R374 PolarHBondContact O-NH1 3.46Å; D362-I375 PolarHBondContact N-O 3.07Å |
| 363 | E | 97.1 | Very high | 96.7 | Very high | 54 Ų | 54 | 52.3 Ų | 52.3 | 25% | 0.252 | 30% | 0.3 | S | S | . | . | trans | -63.7 | 136.5 | 170.3 | -167.6 | 172.7 | -177.1 | 0 | 0 | 110.3 | R264 Y359 S360 C361 L365 I375 | R264-E363 IonicContact CZ-OE1 2.72Å; R264-E363 IonicContact CZ-OE2 3.69Å; R264-E363 IonicContact NH1-OE1 3.22Å; R264-E363 PolarHBondContact NH1-OE1 2.87Å; R264-E363 IonicContact NH1-OE2 2.79Å; R264-E363 VanDerWaalsContact NH2-CD 3.31Å; R264-E363 IonicContact NH2-OE1 3.61Å; R264-E363 PolarHBondContact NH2-OE1 2.91Å; R264-E363 IonicContact NH2-OE2 3.57Å; R264-E363 PolarHBondContact NH2-OE2 2.77Å; Y359-E363 WeakPolarHBondContact CB-OE2 3.47Å; S360-E363 WeakPolarHBondContact O-CB 3.07Å; S360-E363 PolarHBondContact O-N 3.47Å; C361-E363 PolarHBondContact O-N 2.84Å; E363-L365 VanDerWaalsContact CD-CD2 3.5Å; E363-L365 HydrophobicContact CG-CD2 3.73Å; E363-L365 HydrophobicContact CG-CG 4.17Å; E363-L365 VanDerWaalsContact OE1-CD2 3.3Å; E363-L365 WeakPolarHBondContact OE1-CD2 3.2Å; E363-I375 PolarHBondContact O-N 2.94Å | ||
| 364 | I | 97.9 | Very high | 96.8 | Very high | 60 Ų | 60 | 53.5 Ų | 53.5 | 31% | 0.308 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 109.3 | 173.6 | -56.7 | 178.7 | 0 | 0 | 0 | 107.9 | R372 I373 Y471 E472 | I364-R372 HydrophobicContact CG2-CB 3.83Å; I364-I373 WeakPolarHBondContact CA-O 3.29Å; I364-Y471 VanDerWaalsContact CD1-CB 3.47Å; I364-E472 HydrophobicContact CG2-CB 4.48Å |
| 365 | L | 98 | Very high | 96.8 | Very high | 17 Ų | 17 | 49.8 Ų | 49.8 | 9% | 0.089 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 137.4 | -179.3 | -61 | 177.5 | 0 | 0 | 0 | 110.4 | L258 A261 Y359 E363 R372 I373 I375 | L258-L365 HydrophobicContact CD2-CB 3.45Å; L258-L365 VanDerWaalsContact CD2-CB 3.45Å; L258-L365 HydrophobicContact CD2-CD1 3.98Å; L258-L365 HydrophobicContact CD2-CG 4.38Å; A261-L365 HydrophobicContact CB-CD1 3.32Å; A261-L365 HydrophobicContact CB-CD2 3.94Å; A261-L365 HydrophobicContact CB-CG 4.29Å; Y359-L365 HydrophobicContact CD2-CD1 4.32Å; E363-L365 VanDerWaalsContact CD-CD2 3.5Å; E363-L365 HydrophobicContact CG-CD2 3.73Å; E363-L365 HydrophobicContact CG-CG 4.17Å; E363-L365 VanDerWaalsContact OE1-CD2 3.3Å; E363-L365 WeakPolarHBondContact OE1-CD2 3.2Å; L365-R372 CarbonylContact O-C 3.56Å; L365-I373 PolarHBondContact N-O 2.82Å; L365-I373 PolarHBondContact O-N 2.97Å; L365-I375 HydrophobicContact CD1-CD1 3.9Å; L365-I375 HydrophobicContact CD1-CG1 3.71Å; L365-I375 HydrophobicContact CG-CG1 4.05Å |
| 366 | T | 98.4 | Very high | 97 | Very high | 77 Ų | 77 | 49.6 Ų | 49.6 | 47% | 0.472 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 120.9 | 173 | -54.8 | 0 | 0 | 0 | 0 | 109.8 | P257 K371 | P257-T366 WeakPolarHBondContact CB-O 3.45Å; P257-T366 WeakPolarHBondContact CG-O 3.25Å; T366-K371 WeakPolarHBondContact CA-O 3.24Å |
| 367 | S | 98.4 | Very high | 97 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 4% | 0.035 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -76.9 | 168.9 | 176.8 | 76 | 0 | 0 | 0 | 0 | 112.4 | S369 G370 K371 D388 | S367-S369 PolarHBondContact O-N 3.06Å; S367-S369 VanDerWaalsContact O-N 3.14Å; S367-S369 PolarHBondContact OG-N 3.27Å; S367-S369 PolarHBondContact OG-OG 2.89Å; S367-G370 WeakPolarHBondContact O-CA 3.39Å; S367-G370 PolarHBondContact O-N 3.37Å; S367-K371 PolarHBondContact N-O 3.42Å; S367-K371 PolarHBondContact OG-N 3.3Å; S367-K371 PolarHBondContact OG-O 3.01Å; S367-D388 WeakPolarHBondContact CA-OD1 3.28Å; S367-D388 WeakPolarHBondContact CB-OD1 3.42Å |
| 368 | R | 98.2 | Very high | 97.1 | Very high | 71 Ų | 71 | 38.4 Ų | 38.4 | 27% | 0.268 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -30.5 | 170.9 | -177.8 | -175.5 | 179.3 | 81.7 | 6.6 | 112.8 | E255 G370 D388 C391 E395 | E255-R368 PolarHBondContact O-NH1 2.84Å; E255-R368 IonicContact OE2-CZ 3.42Å; E255-R368 IonicContact OE2-NH1 3.54Å; E255-R368 PolarHBondContact OE2-NH1 3.47Å; E255-R368 IonicContact OE2-NH2 2.7Å; R368-G370 PolarHBondContact O-N 3.49Å; R368-D388 HydrophobicContact CB-CB 3.94Å; R368-D388 VanDerWaalsContact CB-OD1 3.32Å; R368-D388 WeakPolarHBondContact CB-OD1 3.47Å; R368-D388 PolarHBondContact N-OD1 3.17Å; R368-C391 HydrophobicContact CB-CB 4.27Å; R368-C391 HydrophobicContact CG-CB 4.42Å; R368-E395 IonicContact CZ-OE2 2.63Å; R368-E395 IonicContact NE-OE1 2.76Å; R368-E395 IonicContact NE-OE2 3.47Å; R368-E395 PolarHBondContact NE-OE2 3.33Å; R368-E395 IonicContact NH2-OE2 3.86Å; R368-E395 PolarHBondContact NH2-OE2 3.15Å |
| 369 | S | 97.8 | Very high | 97 | Very high | 31 Ų | 31 | 40 Ų | 40 | 22% | 0.217 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -3.1 | 178.3 | 73.2 | 0 | 0 | 0 | 0 | 113.4 | S367 K371 C391 G499 | S367-S369 PolarHBondContact O-N 3.06Å; S367-S369 VanDerWaalsContact O-N 3.14Å; S367-S369 PolarHBondContact OG-N 3.27Å; S367-S369 PolarHBondContact OG-OG 2.89Å; S369-K371 VanDerWaalsContact C-N 3.34Å; S369-K371 VanDerWaalsContact OG-CG 3.29Å; S369-K371 WeakPolarHBondContact OG-CG 3.38Å; S369-C391 VanDerWaalsContact CB-SG 3.59Å; S369-C391 PolarHBondContact N-SG 3.08Å; S369-G499 WeakPolarHBondContact CB-O 3.48Å; S369-G499 PolarHBondContact OG-O 3Å |
| 370 | G | 98 | Very high | 97 | Very high | 46 Ų | 46 | 40.5 Ų | 40.5 | 47% | 0.474 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 84 | 3.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S367 R368 | S367-G370 WeakPolarHBondContact O-CA 3.39Å; S367-G370 PolarHBondContact O-N 3.37Å; R368-G370 PolarHBondContact O-N 3.49Å |
| 371 | K | 98.2 | Very high | 97.1 | Very high | 53 Ų | 53 | 38.4 Ų | 38.4 | 23% | 0.23 | 21% | 0.207 | C | C | . | . | trans | -75.2 | 129.5 | 179 | -67.1 | -69.5 | -175 | 175.8 | 0 | 110.7 | T366 S367 S369 I373 D473 L474 | T366-K371 WeakPolarHBondContact CA-O 3.24Å; S367-K371 PolarHBondContact N-O 3.42Å; S367-K371 PolarHBondContact OG-N 3.3Å; S367-K371 PolarHBondContact OG-O 3.01Å; S369-K371 VanDerWaalsContact C-N 3.34Å; S369-K371 VanDerWaalsContact OG-CG 3.29Å; S369-K371 WeakPolarHBondContact OG-CG 3.38Å; K371-I373 HydrophobicContact CB-CG1 4.4Å; K371-D473 WeakPolarHBondContact CA-OD2 3.47Å; K371-D473 HydrophobicContact CD-CB 3.95Å; K371-L474 HydrophobicContact CB-CD1 4.24Å; K371-L474 HydrophobicContact CG-CD1 4.3Å | ||
| 372 | R | 98.4 | Very high | 97.3 | Very high | 90 Ų | 90 | 36.2 Ų | 36.2 | 34% | 0.34 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 119.8 | 169.6 | -61.6 | 174.9 | -60.9 | 155.1 | 9.6 | 109 | I364 L365 E470 Y471 D473 L474 | I364-R372 HydrophobicContact CG2-CB 3.83Å; L365-R372 CarbonylContact O-C 3.56Å; R372-E470 VanDerWaalsContact CZ-O 3.25Å; R372-E470 PolarHBondContact NH1-O 3.13Å; R372-E470 PolarHBondContact NH2-O 2.78Å; R372-Y471 VanDerWaalsContact CZ-O 3.23Å; R372-Y471 PolarHBondContact NE-O 3.37Å; R372-Y471 PolarHBondContact NH1-O 2.88Å; R372-D473 IonicContact CZ-OD1 3.88Å; R372-D473 PolarHBondContact N-OD2 3.42Å; R372-D473 IonicContact NE-OD1 2.65Å; R372-D473 PolarHBondContact NE-OD1 3.01Å; R372-D473 IonicContact NE-OD2 3.97Å; R372-D473 IonicContact NH2-OD1 2.92Å; R372-D473 PolarHBondContact NH2-OD1 2.84Å; R372-D473 PolarHBondContact O-N 3.48Å; R372-L474 PolarHBondContact O-N 3Å; R372-L474 VanDerWaalsContact O-N 3.11Å |
| 373 | I | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 118.4 | -173.1 | -60.5 | 171.3 | 0 | 0 | 0 | 108.2 | L258 I364 L365 K371 I375 L474 Q476 F495 | L258-I373 HydrophobicContact CD1-CD1 3.55Å; L258-I373 HydrophobicContact CD2-CD1 4.41Å; I364-I373 WeakPolarHBondContact CA-O 3.29Å; L365-I373 PolarHBondContact N-O 2.82Å; L365-I373 PolarHBondContact O-N 2.97Å; K371-I373 HydrophobicContact CB-CG1 4.4Å; I373-I375 HydrophobicContact CG2-CD1 4.31Å; I373-L474 WeakPolarHBondContact CA-O 3.33Å; I373-L474 HydrophobicContact CG1-CB 4.3Å; I373-L474 HydrophobicContact CG1-CD1 4.4Å; I373-Q476 HydrophobicContact CG2-CB 4.06Å; I373-F495 HydrophobicContact CD1-CE2 4.3Å; I373-F495 HydrophobicContact CD1-CZ 3.97Å; I373-F495 HydrophobicContact CG2-CE2 3.83Å; I373-F495 HydrophobicContact CG2-CZ 3.92Å |
| 374 | R | 98.1 | Very high | 97.5 | Very high | 45 Ų | 45 | 29.3 Ų | 29.3 | 17% | 0.17 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 122.6 | 170.5 | -178.4 | 175 | -63.5 | -82.6 | -2.1 | 109.6 | D362 V376 E472 L474 M475 Q476 | D362-R374 PolarHBondContact O-NH1 3.46Å; R374-V376 HydrophobicContact CG-CG2 4.41Å; R374-V376 PolarHBondContact O-N 3.14Å; R374-E472 HydrophobicContact CB-CB 3.98Å; R374-E472 HydrophobicContact CB-CG 3.82Å; R374-E472 IonicContact CZ-OE2 3.33Å; R374-E472 VanDerWaalsContact CZ-OE2 3.24Å; R374-E472 IonicContact NE-OE2 3.84Å; R374-E472 PolarHBondContact NE-OE2 3.17Å; R374-E472 IonicContact NH2-OE2 3.18Å; R374-E472 PolarHBondContact NH2-OE2 3.17Å; R374-L474 PolarHBondContact N-O 2.99Å; R374-M475 HydrophobicContact CB-SD 3.92Å; R374-M475 HydrophobicContact CG-SD 4.28Å; R374-Q476 VanDerWaalsContact O-CB 3.28Å; R374-Q476 WeakPolarHBondContact O-CB 3.37Å; R374-Q476 PolarHBondContact O-N 3.44Å; R374-Q476 VanDerWaalsContact O-N 3.08Å |
| 375 | I | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -78 | 119.3 | 172.6 | -59.3 | -53.3 | 0 | 0 | 0 | 108.4 | Y359 S360 C361 D362 E363 L365 I373 T378 T384 Q476 | Y359-I375 HydrophobicContact CD2-CG1 4.07Å; Y359-I375 HydrophobicContact CD2-CG2 3.89Å; Y359-I375 HydrophobicContact CE2-CB 4.49Å; Y359-I375 HydrophobicContact CE2-CD1 4.18Å; Y359-I375 HydrophobicContact CE2-CG1 4.12Å; Y359-I375 HydrophobicContact CE2-CG2 3.59Å; S360-I375 WeakPolarHBondContact O-CG2 3.5Å; C361-I375 CarbonylContact C-O 3.59Å; D362-I375 PolarHBondContact N-O 3.07Å; E363-I375 PolarHBondContact O-N 2.94Å; L365-I375 HydrophobicContact CD1-CD1 3.9Å; L365-I375 HydrophobicContact CD1-CG1 3.71Å; L365-I375 HydrophobicContact CG-CG1 4.05Å; I373-I375 HydrophobicContact CG2-CD1 4.31Å; I375-T378 HydrophobicContact CG2-CG2 4.1Å; I375-T384 HydrophobicContact CD1-CG2 4.34Å; I375-Q476 HydrophobicContact CD1-CB 4.31Å; I375-Q476 HydrophobicContact CD1-CG 4.24Å | ||
| 376 | V | 96.5 | Very high | 97.6 | Very high | 20 Ų | 20 | 25.6 Ų | 25.6 | 12% | 0.121 | 14% | 0.137 | C | C | . | . | trans | -105.2 | -36.7 | -178.4 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | R374 M475 Q476 S477 N478 T479 | R374-V376 HydrophobicContact CG-CG2 4.41Å; R374-V376 PolarHBondContact O-N 3.14Å; V376-M475 HydrophobicContact CG2-CE 3.5Å; V376-M475 VanDerWaalsContact CG2-CE 3.5Å; V376-M475 HydrophobicContact CG2-SD 4.45Å; V376-Q476 VanDerWaalsContact N-OE1 3.09Å; V376-S477 WeakPolarHBondContact CG2-O 3.23Å; V376-N478 WeakPolarHBondContact CG1-O 3.48Å; V376-T479 HydrophobicContact CG1-CG2 3.75Å | ||
| 377 | N | 95.2 | Very high | 97.6 | Very high | 18 Ų | 18 | 22 Ų | 22 | 10% | 0.096 | 11% | 0.114 | C | C | . | . | trans | -143.8 | 117.5 | -177.8 | -169.3 | -22.6 | 0 | 0 | 0 | 109.8 | N306 D379 A380 Q476 | N306-N377 WeakPolarHBondContact CB-OD1 3.38Å; N306-N377 VanDerWaalsContact CG-OD1 3.29Å; N306-N377 WeakPolarHBondContact OD1-CA 3.39Å; N377-D379 PolarHBondContact O-N 2.8Å; N377-D379 WeakPolarHBondContact OD1-CB 3.29Å; N377-D379 PolarHBondContact OD1-N 3.47Å; N377-A380 WeakPolarHBondContact O-CB 3.32Å; N377-A380 PolarHBondContact O-N 3.16Å; N377-Q476 PolarHBondContact O-NE2 3.34Å; N377-Q476 VanDerWaalsContact O-NE2 3.1Å; N377-Q476 PolarHBondContact O-OE1 3.16Å; N377-Q476 VanDerWaalsContact O-OE1 3.09Å | ||
| 378 | T | 96.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -6.3 | 179.8 | 62.3 | 0 | 0 | 0 | 0 | 113.5 | G303 L305 N306 N352 Y359 I375 A380 | G303-T378 CarbonylContact O-C 3.58Å; G303-T378 WeakPolarHBondContact O-CB 3.02Å; G303-T378 PolarHBondContact O-OG1 3.37Å; L305-T378 PolarHBondContact N-OG1 2.98Å; N306-T378 WeakPolarHBondContact CB-OG1 3.29Å; N306-T378 PolarHBondContact N-OG1 2.91Å; N306-T378 PolarHBondContact OD1-N 3.1Å; N306-T378 PolarHBondContact OD1-OG1 2.92Å; N352-T378 PolarHBondContact ND2-O 2.9Å; Y359-T378 HydrophobicContact CD1-CG2 4.21Å; Y359-T378 HydrophobicContact CD2-CG2 4.31Å; Y359-T378 HydrophobicContact CE1-CG2 3.88Å; Y359-T378 HydrophobicContact CE2-CG2 4Å; Y359-T378 HydrophobicContact CG-CG2 4.41Å; Y359-T378 WeakPolarHBondContact O-CG2 3.37Å; Y359-T378 VanDerWaalsContact OH-CA 3.3Å; Y359-T378 WeakPolarHBondContact OH-CA 3.46Å; Y359-T378 PolarHBondContact OH-O 3.09Å; I375-T378 HydrophobicContact CG2-CG2 4.1Å; T378-A380 VanDerWaalsContact C-N 3.29Å |
| 379 | D | 95.4 | Very high | 97.6 | Very high | 48 Ų | 48 | 18.3 Ų | 18.3 | 26% | 0.257 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -3 | 168.6 | -160.2 | 55.9 | 0 | 0 | 0 | 113 | G303 N306 K308 N377 E381 | G303-D379 WeakPolarHBondContact CA-OD1 3.33Å; G303-D379 PolarHBondContact O-N 3.49Å; N306-D379 HydrophobicContact CB-CB 4.47Å; K308-D379 WeakPolarHBondContact CE-OD1 3.43Å; K308-D379 WeakPolarHBondContact CG-OD1 3.46Å; K308-D379 VanDerWaalsContact NZ-CG 3.29Å; K308-D379 IonicContact NZ-OD1 2.79Å; K308-D379 PolarHBondContact NZ-OD1 3.41Å; K308-D379 IonicContact NZ-OD2 3.09Å; K308-D379 PolarHBondContact NZ-OD2 2.92Å; N377-D379 PolarHBondContact O-N 2.8Å; N377-D379 WeakPolarHBondContact OD1-CB 3.29Å; N377-D379 PolarHBondContact OD1-N 3.47Å; D379-E381 VanDerWaalsContact C-N 3.34Å; D379-E381 WeakPolarHBondContact CA-OE2 3.32Å |
| 380 | A | 96.5 | Very high | 97.7 | Very high | 13 Ų | 13 | 16.9 Ų | 16.9 | 11% | 0.107 | 9% | 0.09 | C | C | . | . | trans | -100.9 | 34.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | N377 T378 R383 T384 Q476 | N377-A380 WeakPolarHBondContact O-CB 3.32Å; N377-A380 PolarHBondContact O-N 3.16Å; T378-A380 VanDerWaalsContact C-N 3.29Å; A380-R383 WeakPolarHBondContact O-CG 3.16Å; A380-T384 PolarHBondContact O-OG1 3.38Å; A380-Q476 VanDerWaalsContact C-NE2 3.26Å; A380-Q476 HydrophobicContact CB-CG 4.43Å; A380-Q476 PolarHBondContact O-NE2 3Å | ||
| 381 | E | 97 | Very high | 97.7 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -67.9 | -33.8 | -176.6 | 80 | -54.9 | 127.6 | 0 | 0 | 113.3 | V262 K296 V298 N352 Y359 D379 R383 T384 I385 | V262-E381 HydrophobicContact CG1-CB 3.69Å; V262-E381 HydrophobicContact CG1-CG 4.05Å; V262-E381 HydrophobicContact CG2-CB 3.98Å; K296-E381 WeakPolarHBondContact CE-OE1 3.29Å; K296-E381 IonicContact NZ-OE1 3.34Å; K296-E381 PolarHBondContact NZ-OE1 3.32Å; V298-E381 HydrophobicContact CG1-CG 4.39Å; V298-E381 HydrophobicContact CG2-CG 3.93Å; N352-E381 HydrophobicContact CB-CG 3.92Å; N352-E381 WeakPolarHBondContact ND2-CG 3.38Å; Y359-E381 WeakPolarHBondContact OH-CB 3.34Å; D379-E381 VanDerWaalsContact C-N 3.34Å; D379-E381 WeakPolarHBondContact CA-OE2 3.32Å; E381-R383 VanDerWaalsContact C-N 3.29Å; E381-R383 PolarHBondContact O-N 3.17Å; E381-T384 WeakPolarHBondContact O-CA 3.17Å; E381-T384 VanDerWaalsContact O-CB 3.24Å; E381-T384 WeakPolarHBondContact O-CB 3.39Å; E381-T384 PolarHBondContact O-N 3.07Å; E381-I385 PolarHBondContact O-N 2.65Å |
| 382 | G | 97.1 | Very high | 97.8 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.01 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -60.8 | -37.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I385 M386 | G382-I385 WeakPolarHBondContact O-CG1 3.27Å; G382-M386 VanDerWaalsContact O-CE 3.28Å; G382-M386 WeakPolarHBondContact O-CE 3.35Å; G382-M386 WeakPolarHBondContact O-CG 3.38Å |
| 383 | R | 97.8 | Very high | 97.8 | Very high | 19 Ų | 19 | 8.6 Ų | 8.6 | 7% | 0.072 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -73.1 | -35.6 | 173.7 | 69.1 | -175.2 | 78.2 | 178.1 | 2.8 | 110.8 | A380 E381 M386 V387 L411 Q476 P492 F495 L496 | A380-R383 WeakPolarHBondContact O-CG 3.16Å; E381-R383 VanDerWaalsContact C-N 3.29Å; E381-R383 PolarHBondContact O-N 3.17Å; R383-M386 PolarHBondContact O-N 3.42Å; R383-V387 WeakPolarHBondContact O-CG2 3.22Å; R383-V387 PolarHBondContact O-N 2.85Å; R383-L411 HydrophobicContact CB-CD1 4.14Å; R383-L411 HydrophobicContact CB-CD2 4.47Å; R383-Q476 WeakPolarHBondContact CD-O 3.26Å; R383-Q476 PolarHBondContact NH1-O 3.31Å; R383-P492 VanDerWaalsContact CZ-CB 3.47Å; R383-F495 HydrophobicContact CB-CD1 3.81Å; R383-F495 HydrophobicContact CB-CE1 4.07Å; R383-F495 VanDerWaalsContact CD-CD1 3.43Å; R383-F495 HydrophobicContact CG-CD1 3.56Å; R383-F495 HydrophobicContact CG-CE1 3.6Å; R383-F495 HydrophobicContact CG-CG 4.48Å; R383-L496 HydrophobicContact CB-CD2 4.24Å; R383-L496 HydrophobicContact CB-CG 4.35Å; R383-L496 VanDerWaalsContact O-CD2 3.3Å; R383-L496 WeakPolarHBondContact O-CD2 3.39Å |
| 384 | T | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62.7 | -48.1 | -178.8 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | L258 V262 I375 A380 E381 M386 V387 Q476 | L258-T384 HydrophobicContact CB-CG2 3.8Å; L258-T384 WeakPolarHBondContact CB-O 3.4Å; L258-T384 HydrophobicContact CD1-CG2 4.25Å; L258-T384 HydrophobicContact CG-CG2 4.44Å; V262-T384 HydrophobicContact CG2-CG2 3.82Å; I375-T384 HydrophobicContact CD1-CG2 4.34Å; A380-T384 PolarHBondContact O-OG1 3.38Å; E381-T384 WeakPolarHBondContact O-CA 3.17Å; E381-T384 VanDerWaalsContact O-CB 3.24Å; E381-T384 WeakPolarHBondContact O-CB 3.39Å; E381-T384 PolarHBondContact O-N 3.07Å; T384-M386 PolarHBondContact O-N 2.63Å; T384-V387 PolarHBondContact O-N 3.22Å; T384-Q476 PolarHBondContact OG1-NE2 3.48Å |
| 385 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -67.5 | -21.3 | -179.3 | 69.5 | 171.1 | 0 | 0 | 0 | 114.3 | V262 K296 V298 A348 V350 E381 G382 P389 | V262-I385 HydrophobicContact CB-CG2 3.57Å; V262-I385 HydrophobicContact CG1-CG2 3.66Å; V262-I385 HydrophobicContact CG2-CG2 3.62Å; K296-I385 HydrophobicContact CG-CD1 4.16Å; V298-I385 HydrophobicContact CG2-CD1 3.64Å; A348-I385 HydrophobicContact CB-CB 4.38Å; A348-I385 HydrophobicContact CB-CD1 4.11Å; A348-I385 HydrophobicContact CB-CG1 4.3Å; V350-I385 HydrophobicContact CG1-CG2 4.13Å; V350-I385 HydrophobicContact CG2-CD1 3.84Å; V350-I385 HydrophobicContact CG2-CG2 3.89Å; E381-I385 PolarHBondContact O-N 2.65Å; G382-I385 WeakPolarHBondContact O-CG1 3.27Å; I385-P389 VanDerWaalsContact O-CD 3.23Å; I385-P389 WeakPolarHBondContact O-CD 3.35Å |
| 386 | M | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -88.2 | -20.7 | -177.4 | -72.3 | -167.4 | -68.3 | 0 | 0 | 113.1 | V294 K296 G382 R383 T384 D388 P389 L390 T407 A409 L411 L496 | V294-M386 HydrophobicContact CG1-CB 4.04Å; V294-M386 HydrophobicContact CG1-CG 3.99Å; V294-M386 HydrophobicContact CG1-SD 4.38Å; K296-M386 HydrophobicContact CB-CE 4.29Å; K296-M386 HydrophobicContact CB-CG 4.35Å; K296-M386 HydrophobicContact CB-SD 3.88Å; G382-M386 VanDerWaalsContact O-CE 3.28Å; G382-M386 WeakPolarHBondContact O-CE 3.35Å; G382-M386 WeakPolarHBondContact O-CG 3.38Å; R383-M386 PolarHBondContact O-N 3.42Å; T384-M386 PolarHBondContact O-N 2.63Å; M386-D388 PolarHBondContact O-N 3.23Å; M386-P389 WeakPolarHBondContact O-CD 3.32Å; M386-L390 WeakPolarHBondContact O-CB 3.12Å; M386-L390 PolarHBondContact O-N 3.33Å; M386-T407 HydrophobicContact SD-CG2 4.21Å; M386-A409 HydrophobicContact CE-CB 3.64Å; M386-A409 HydrophobicContact SD-CB 4.1Å; M386-L411 HydrophobicContact CE-CD1 4Å; M386-L411 HydrophobicContact CE-CD2 4.46Å; M386-L496 HydrophobicContact CB-CD2 3.81Å; M386-L496 HydrophobicContact CE-CD1 3.85Å; M386-L496 HydrophobicContact CE-CD2 4.22Å |
| 387 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.7 | -47.7 | -175.2 | 161.1 | 0 | 0 | 0 | 0 | 112 | L258 R383 T384 L390 C391 F495 L496 G499 | L258-V387 HydrophobicContact CD1-CB 3.7Å; L258-V387 HydrophobicContact CD1-CG1 3.68Å; L258-V387 HydrophobicContact CD1-CG2 4.28Å; R383-V387 WeakPolarHBondContact O-CG2 3.22Å; R383-V387 PolarHBondContact O-N 2.85Å; T384-V387 PolarHBondContact O-N 3.22Å; V387-L390 PolarHBondContact O-N 3.4Å; V387-C391 VanDerWaalsContact O-CB 3.23Å; V387-C391 WeakPolarHBondContact O-CB 3.41Å; V387-C391 PolarHBondContact O-N 3.06Å; V387-F495 HydrophobicContact CG2-CD1 4.2Å; V387-F495 HydrophobicContact CG2-CE1 3.53Å; V387-F495 HydrophobicContact CG2-CZ 4.14Å; V387-L496 HydrophobicContact CG2-CD2 4.07Å; V387-G499 WeakPolarHBondContact CG1-O 3.42Å |
| 388 | D | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -70.9 | -44.8 | -176.3 | -60.2 | -35.7 | 0 | 0 | 0 | 112.9 | Y256 P257 L258 S367 R368 M386 L390 C391 E392 | Y256-D388 WeakPolarHBondContact CA-OD2 3.15Å; Y256-D388 HydrophobicContact CD1-CB 3.77Å; Y256-D388 HydrophobicContact CG-CB 4.38Å; P257-D388 VanDerWaalsContact CD-OD2 3.26Å; P257-D388 WeakPolarHBondContact CD-OD2 3.12Å; P257-D388 VanDerWaalsContact N-OD2 3.12Å; L258-D388 VanDerWaalsContact CB-OD2 3.26Å; L258-D388 WeakPolarHBondContact CB-OD2 3.46Å; L258-D388 WeakPolarHBondContact CG-OD2 3.18Å; L258-D388 PolarHBondContact N-OD2 3.06Å; S367-D388 WeakPolarHBondContact CA-OD1 3.28Å; S367-D388 WeakPolarHBondContact CB-OD1 3.42Å; R368-D388 HydrophobicContact CB-CB 3.94Å; R368-D388 VanDerWaalsContact CB-OD1 3.32Å; R368-D388 WeakPolarHBondContact CB-OD1 3.47Å; R368-D388 PolarHBondContact N-OD1 3.17Å; M386-D388 PolarHBondContact O-N 3.23Å; D388-L390 VanDerWaalsContact C-N 3.28Å; D388-L390 PolarHBondContact O-N 2.69Å; D388-C391 WeakPolarHBondContact O-CB 3.23Å; D388-C391 PolarHBondContact O-N 2.99Å; D388-E392 PolarHBondContact O-N 3.15Å |
| 389 | P | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.6 | -37.3 | 169.6 | -26.1 | 35.3 | 0 | 0 | 0 | 113.4 | Y256 L276 V294 A348 I385 M386 E392 M393 | Y256-P389 HydrophobicContact CD1-CG 4.06Å; Y256-P389 HydrophobicContact CE1-CG 4.43Å; L276-P389 HydrophobicContact CD1-CB 4.45Å; L276-P389 HydrophobicContact CD1-CG 3.89Å; V294-P389 HydrophobicContact CG1-CB 3.94Å; V294-P389 HydrophobicContact CG2-CB 4.32Å; A348-P389 HydrophobicContact CB-CG 4.24Å; I385-P389 VanDerWaalsContact O-CD 3.23Å; I385-P389 WeakPolarHBondContact O-CD 3.35Å; M386-P389 WeakPolarHBondContact O-CD 3.32Å; P389-E392 PolarHBondContact O-N 2.84Å; P389-M393 WeakPolarHBondContact O-CG 3.39Å; P389-M393 PolarHBondContact O-N 2.91Å |
| 390 | L | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.4 | -37.8 | 177.1 | -175.7 | 61.6 | 0 | 0 | 0 | 112.1 | V294 M386 V387 D388 M393 R394 L405 T407 L496 L502 Y515 | V294-L390 HydrophobicContact CG2-CB 4.39Å; V294-L390 HydrophobicContact CG2-CD1 4.32Å; M386-L390 WeakPolarHBondContact O-CB 3.12Å; M386-L390 PolarHBondContact O-N 3.33Å; V387-L390 PolarHBondContact O-N 3.4Å; D388-L390 VanDerWaalsContact C-N 3.28Å; D388-L390 PolarHBondContact O-N 2.69Å; L390-M393 PolarHBondContact O-N 3.04Å; L390-R394 WeakPolarHBondContact O-CB 3.46Å; L390-R394 PolarHBondContact O-N 3.37Å; L390-L405 HydrophobicContact CD1-CD2 4.02Å; L390-T407 HydrophobicContact CD1-CG2 4.05Å; L390-T407 HydrophobicContact CD2-CG2 3.97Å; L390-T407 HydrophobicContact CG-CG2 4.49Å; L390-L496 HydrophobicContact CD2-CB 4.01Å; L390-L496 HydrophobicContact CD2-CD2 4.49Å; L390-L502 HydrophobicContact CD1-CD1 4.01Å; L390-L502 HydrophobicContact CD2-CD1 3.91Å; L390-L502 HydrophobicContact CG-CD1 3.94Å; L390-Y515 HydrophobicContact CD1-CD2 4.33Å; L390-Y515 HydrophobicContact CD1-CE2 3.92Å; L390-Y515 HydrophobicContact CD2-CE2 3.92Å |
| 391 | C | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.6 | -47.1 | 173.4 | 178.7 | 0 | 0 | 0 | 0 | 111.1 | R368 S369 V387 D388 R394 E395 | R368-C391 HydrophobicContact CB-CB 4.27Å; R368-C391 HydrophobicContact CG-CB 4.42Å; S369-C391 VanDerWaalsContact CB-SG 3.59Å; S369-C391 PolarHBondContact N-SG 3.08Å; V387-C391 VanDerWaalsContact O-CB 3.23Å; V387-C391 WeakPolarHBondContact O-CB 3.41Å; V387-C391 PolarHBondContact O-N 3.06Å; D388-C391 WeakPolarHBondContact O-CB 3.23Å; D388-C391 PolarHBondContact O-N 2.99Å; C391-R394 PolarHBondContact O-N 3Å; C391-R394 PolarHBondContact O-NE 3.04Å; C391-R394 PolarHBondContact O-NH2 3.16Å; C391-R394 PolarHBondContact SG-NH2 2.93Å; C391-E395 WeakPolarHBondContact O-CG 3.34Å; C391-E395 PolarHBondContact O-N 2.84Å |
| 392 | E | 98.7 | Very high | 98 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 5% | 0.051 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 173.8 | -172.7 | -166.5 | 155.6 | 0 | 0 | 111.9 | Y256 K278 D388 P389 R394 E395 R396 | Y256-E392 VanDerWaalsContact CE1-OE2 3.32Å; Y256-E392 WeakPolarHBondContact CE1-OE2 3.33Å; Y256-E392 VanDerWaalsContact CZ-OE2 3.31Å; Y256-E392 PolarHBondContact OH-OE2 2.74Å; K278-E392 IonicContact NZ-OE1 3.4Å; K278-E392 PolarHBondContact NZ-OE1 2.81Å; K278-E392 IonicContact NZ-OE2 3.71Å; K278-E392 PolarHBondContact NZ-OE2 3.27Å; D388-E392 PolarHBondContact O-N 3.15Å; P389-E392 PolarHBondContact O-N 2.84Å; E392-R394 VanDerWaalsContact C-N 3.32Å; E392-R394 PolarHBondContact O-N 2.82Å; E392-E395 WeakPolarHBondContact O-CB 3.49Å; E392-E395 PolarHBondContact O-N 3.13Å; E392-R396 WeakPolarHBondContact O-CG 3.45Å; E392-R396 PolarHBondContact O-N 3.01Å; E392-R396 VanDerWaalsContact O-N 3.11Å; E392-R396 IonicContact OE1-CZ 3.76Å; E392-R396 IonicContact OE1-NE 3.26Å; E392-R396 PolarHBondContact OE1-NE 2.73Å; E392-R396 VanDerWaalsContact OE1-NE 3.09Å; E392-R396 IonicContact OE1-NH2 3.5Å; E392-R396 PolarHBondContact OE1-NH2 2.78Å |
| 393 | M | 98.5 | Very high | 98 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.1 | -42.1 | 176.7 | -74.6 | -64.6 | 176.5 | 0 | 0 | 111.5 | M292 V294 L344 P389 L390 E395 R396 A397 L405 | M292-M393 HydrophobicContact CB-SD 4.19Å; M292-M393 HydrophobicContact CE-CB 3.96Å; M292-M393 HydrophobicContact CE-CG 4.34Å; M292-M393 WeakPolarHBondContact CE-O 3.33Å; M292-M393 HydrophobicContact CE-SD 3.46Å; M292-M393 WeakPolarHBondContact CE-SD 3.36Å; V294-M393 HydrophobicContact CG2-CB 4.48Å; V294-M393 HydrophobicContact CG2-CG 3.79Å; L344-M393 HydrophobicContact CB-CE 4.3Å; L344-M393 HydrophobicContact CB-SD 4.21Å; P389-M393 WeakPolarHBondContact O-CG 3.39Å; P389-M393 PolarHBondContact O-N 2.91Å; L390-M393 PolarHBondContact O-N 3.04Å; M393-E395 PolarHBondContact O-N 3.25Å; M393-R396 PolarHBondContact O-N 2.98Å; M393-A397 WeakPolarHBondContact O-CB 3.42Å; M393-A397 PolarHBondContact O-N 3.11Å; M393-L405 HydrophobicContact CB-CD2 4.12Å; M393-L405 HydrophobicContact CB-CG 4.43Å |
| 394 | R | 98.2 | Very high | 98.1 | Very high | 27 Ų | 27 | 34.3 Ų | 34.3 | 10% | 0.102 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -40.9 | 174.5 | 169.7 | -126.4 | 47.2 | -174 | -6.8 | 112 | L390 C391 E392 R396 A397 L405 S500 L502 I513 | L390-R394 WeakPolarHBondContact O-CB 3.46Å; L390-R394 PolarHBondContact O-N 3.37Å; C391-R394 PolarHBondContact O-N 3Å; C391-R394 PolarHBondContact O-NE 3.04Å; C391-R394 PolarHBondContact O-NH2 3.16Å; C391-R394 PolarHBondContact SG-NH2 2.93Å; E392-R394 VanDerWaalsContact C-N 3.32Å; E392-R394 PolarHBondContact O-N 2.82Å; R394-R396 VanDerWaalsContact C-N 3.28Å; R394-R396 PolarHBondContact O-N 3.47Å; R394-A397 WeakPolarHBondContact O-CB 3.44Å; R394-A397 PolarHBondContact O-N 2.85Å; R394-L405 HydrophobicContact CB-CD2 4.13Å; R394-S500 PolarHBondContact NE-O 3.37Å; R394-S500 PolarHBondContact NH1-O 2.99Å; R394-L502 HydrophobicContact CB-CD2 4.03Å; R394-L502 HydrophobicContact CB-CG 4.2Å; R394-L502 HydrophobicContact CG-CD2 3.85Å; R394-L502 HydrophobicContact CG-CG 4.18Å; R394-I513 HydrophobicContact CG-CD1 4.06Å |
| 395 | E | 98.1 | Very high | 98.1 | Very high | 70 Ų | 70 | 34.3 Ų | 34.3 | 33% | 0.327 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -57.6 | -42.4 | 175.5 | -73.2 | 158.4 | -168.6 | 0 | 0 | 112 | R368 C391 E392 M393 | R368-E395 IonicContact CZ-OE2 2.63Å; R368-E395 IonicContact NE-OE1 2.76Å; R368-E395 IonicContact NE-OE2 3.47Å; R368-E395 PolarHBondContact NE-OE2 3.33Å; R368-E395 IonicContact NH2-OE2 3.86Å; R368-E395 PolarHBondContact NH2-OE2 3.15Å; C391-E395 WeakPolarHBondContact O-CG 3.34Å; C391-E395 PolarHBondContact O-N 2.84Å; E392-E395 WeakPolarHBondContact O-CB 3.49Å; E392-E395 PolarHBondContact O-N 3.13Å; M393-E395 PolarHBondContact O-N 3.25Å |
| 396 | R | 97.7 | Very high | 98.1 | Very high | 95 Ų | 95 | 34.4 Ų | 34.4 | 36% | 0.358 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -70.3 | -43.4 | 178.3 | -68.1 | 172.9 | -179.2 | -136.7 | -1.3 | 111.8 | M292 E392 M393 R394 I398 R399 | M292-R396 HydrophobicContact CE-CB 3.84Å; E392-R396 WeakPolarHBondContact O-CG 3.45Å; E392-R396 PolarHBondContact O-N 3.01Å; E392-R396 VanDerWaalsContact O-N 3.11Å; E392-R396 IonicContact OE1-CZ 3.76Å; E392-R396 IonicContact OE1-NE 3.26Å; E392-R396 PolarHBondContact OE1-NE 2.73Å; E392-R396 VanDerWaalsContact OE1-NE 3.09Å; E392-R396 IonicContact OE1-NH2 3.5Å; E392-R396 PolarHBondContact OE1-NH2 2.78Å; M393-R396 PolarHBondContact O-N 2.98Å; R394-R396 VanDerWaalsContact C-N 3.28Å; R394-R396 PolarHBondContact O-N 3.47Å; R396-I398 PolarHBondContact O-N 3.45Å; R396-R399 PolarHBondContact O-N 2.78Å |
| 397 | A | 98.2 | Very high | 98.1 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -51.8 | -34.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | M292 M393 R394 R399 E400 P403 L405 I513 | M292-A397 HydrophobicContact CE-CB 4.35Å; M292-A397 HydrophobicContact SD-CB 3.77Å; M393-A397 WeakPolarHBondContact O-CB 3.42Å; M393-A397 PolarHBondContact O-N 3.11Å; R394-A397 WeakPolarHBondContact O-CB 3.44Å; R394-A397 PolarHBondContact O-N 2.85Å; A397-R399 PolarHBondContact O-N 2.78Å; A397-E400 PolarHBondContact O-N 2.78Å; A397-P403 HydrophobicContact CB-CB 3.85Å; A397-P403 HydrophobicContact CB-CG 4.22Å; A397-P403 WeakPolarHBondContact O-CG 3.4Å; A397-L405 HydrophobicContact CB-CD1 3.76Å; A397-I513 HydrophobicContact CB-CD1 3.95Å; A397-I513 HydrophobicContact CB-CG2 4.41Å |
| 398 | I | 95.9 | Very high | 98.1 | Very high | 66 Ų | 66 | 34.4 Ų | 34.4 | 34% | 0.338 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -21.3 | 178.7 | -66.3 | 167.4 | 0 | 0 | 0 | 113 | R396 K511 I513 | R396-I398 PolarHBondContact O-N 3.45Å; I398-K511 HydrophobicContact CG2-CD 3.72Å; I398-I513 HydrophobicContact CG1-CD1 4.24Å |
| 399 | R | 96.5 | Very high | 98.1 | Very high | 228 Ų | 228 | 34.4 Ų | 34.4 | 86% | 0.86 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | 0.2 | -178.6 | -55.9 | 178.4 | -173.3 | 175.3 | 1.6 | 113.3 | R396 A397 | R396-R399 PolarHBondContact O-N 2.78Å; A397-R399 PolarHBondContact O-N 2.78Å |
| 400 | E | 97.8 | Very high | 98 | Very high | 47 Ų | 47 | 35 Ų | 35 | 22% | 0.22 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -98.2 | 158 | -175.6 | -61.5 | -64.2 | 173.5 | 0 | 0 | 111.4 | T290 M292 K342 A397 P403 | T290-E400 HydrophobicContact CG2-CB 3.87Å; T290-E400 HydrophobicContact CG2-CG 3.93Å; M292-E400 HydrophobicContact SD-CG 4.43Å; K342-E400 WeakPolarHBondContact CE-OE2 3.48Å; K342-E400 IonicContact NZ-OE1 3.29Å; K342-E400 PolarHBondContact NZ-OE1 2.78Å; K342-E400 IonicContact NZ-OE2 2.74Å; K342-E400 PolarHBondContact NZ-OE2 2.98Å; A397-E400 PolarHBondContact O-N 2.78Å; E400-P403 HydrophobicContact CB-CB 4.32Å |
| 401 | V | 97.2 | Very high | 97.8 | Very high | 77 Ų | 77 | 36 Ų | 36 | 47% | 0.467 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -83.8 | 123.6 | 178.1 | -176 | 0 | 0 | 0 | 0 | 109.2 | K288 D289 T290 | K288-V401 WeakPolarHBondContact O-CG1 3.26Å; D289-V401 CarbonylContact C-O 3.55Å; T290-V401 WeakPolarHBondContact CB-O 3.42Å; T290-V401 PolarHBondContact N-O 3.31Å; T290-V401 PolarHBondContact OG1-O 3.18Å |
| 402 | N | 96.7 | Very high | 97.6 | Very high | 72 Ų | 72 | 36.3 Ų | 36.3 | 39% | 0.385 | 17% | 0.167 | S | C | . | . | S | Bend | trans | 42.5 | 60.2 | -179.8 | -167.5 | 23.6 | 0 | 0 | 0 | 113.4 | D289 H404 K514 | D289-N402 PolarHBondContact OD1-ND2 3.21Å; N402-H404 PolarHBondContact O-N 3.11Å; N402-K514 WeakPolarHBondContact OD1-CE 3.31Å; N402-K514 PolarHBondContact OD1-NZ 2.94Å; N402-K514 VanDerWaalsContact OD1-NZ 3.13Å |
| 403 | P | 98.2 | Very high | 97.3 | Very high | 18 Ų | 18 | 37.5 Ų | 37.5 | 12% | 0.117 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 134.4 | -174.1 | 29.5 | -36.7 | 0 | 0 | 0 | 111.8 | T290 M292 A397 E400 L405 | T290-P403 CarbonylContact O-C 3.57Å; T290-P403 WeakPolarHBondContact O-CA 3.35Å; M292-P403 HydrophobicContact SD-CB 4.29Å; A397-P403 HydrophobicContact CB-CB 3.85Å; A397-P403 HydrophobicContact CB-CG 4.22Å; A397-P403 WeakPolarHBondContact O-CG 3.4Å; E400-P403 HydrophobicContact CB-CB 4.32Å; P403-L405 HydrophobicContact CB-CD1 4.28Å |
| 404 | H | 98.5 | Very high | 97.2 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.019 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 112.6 | 168.1 | -167.9 | 172.3 | 0 | 0 | 0 | 109.6 | T290 L291 M292 N402 E437 K514 T516 F543 | T290-H404 PolarHBondContact O-N 3.31Å; L291-H404 HydrophobicContact CD2-CB 3.99Å; M292-H404 PolarHBondContact N-O 3.46Å; N402-H404 PolarHBondContact O-N 3.11Å; H404-E437 IonicContact CE1-OE2 2.84Å; H404-E437 IonicContact ND1-OE2 2.7Å; H404-K514 HydrophobicContact CB-CB 4.27Å; H404-T516 PolarHBondContact NE2-OG1 2.77Å; H404-F543 AromaticContact CE1-CZ 3.93Å; H404-F543 AromaticContact ND1-CE1 3.75Å; H404-F543 AromaticContact ND1-CZ 3.98Å |
| 405 | L | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 137.4 | 177.5 | -80.9 | 60 | 0 | 0 | 0 | 110.2 | M292 L390 M393 R394 A397 P403 L502 I513 K514 Y515 T516 | M292-L405 HydrophobicContact CB-CD1 3.87Å; M292-L405 HydrophobicContact CB-CG 3.9Å; M292-L405 HydrophobicContact CG-CD1 4.08Å; M292-L405 CarbonylContact O-C 3.58Å; M292-L405 VanDerWaalsContact O-CA 3.29Å; M292-L405 WeakPolarHBondContact O-CA 3.49Å; M292-L405 HydrophobicContact SD-CD1 3.56Å; M292-L405 VanDerWaalsContact SD-CD1 3.56Å; M292-L405 HydrophobicContact SD-CG 4.38Å; L390-L405 HydrophobicContact CD1-CD2 4.02Å; M393-L405 HydrophobicContact CB-CD2 4.12Å; M393-L405 HydrophobicContact CB-CG 4.43Å; R394-L405 HydrophobicContact CB-CD2 4.13Å; A397-L405 HydrophobicContact CB-CD1 3.76Å; P403-L405 HydrophobicContact CB-CD1 4.28Å; L405-L502 HydrophobicContact CD2-CD1 4.35Å; L405-L502 HydrophobicContact CD2-CD2 4.11Å; L405-I513 HydrophobicContact CD1-CG2 3.75Å; L405-I513 HydrophobicContact CD2-CG2 4.3Å; L405-I513 HydrophobicContact CG-CG2 4.49Å; L405-K514 PolarHBondContact N-O 3.44Å; L405-Y515 HydrophobicContact CB-CD2 3.9Å; L405-Y515 CarbonylContact O-C 3.55Å; L405-Y515 VanDerWaalsContact O-CA 3.23Å; L405-Y515 WeakPolarHBondContact O-CA 3.23Å; L405-Y515 WeakPolarHBondContact O-CD2 3.41Å; L405-T516 PolarHBondContact O-N 2.7Å |
| 406 | C | 98.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 132.5 | 176.4 | -66.5 | 0 | 0 | 0 | 0 | 109.9 | M292 F293 V294 T516 | M292-C406 PolarHBondContact O-N 3.34Å; F293-C406 CarbonylContact C-O 3.54Å; F293-C406 VanDerWaalsContact CA-O 3.31Å; F293-C406 WeakPolarHBondContact CA-O 3.46Å; F293-C406 HydrophobicContact CD1-CB 3.53Å; F293-C406 HydrophobicContact CE1-CB 3.57Å; F293-C406 HydrophobicContact CG-CB 4.47Å; V294-C406 PolarHBondContact N-O 3.19Å; C406-T516 WeakPolarHBondContact CA-O 3.44Å |
| 407 | T | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 141.8 | 162.8 | 50.1 | 0 | 0 | 0 | 0 | 109.5 | V294 M386 L390 L496 Y515 T516 H517 I518 | V294-T407 HydrophobicContact CB-CG2 3.93Å; V294-T407 HydrophobicContact CG1-CG2 4.36Å; V294-T407 CarbonylContact O-C 3.45Å; V294-T407 WeakPolarHBondContact O-CA 3.37Å; M386-T407 HydrophobicContact SD-CG2 4.21Å; L390-T407 HydrophobicContact CD1-CG2 4.05Å; L390-T407 HydrophobicContact CD2-CG2 3.97Å; L390-T407 HydrophobicContact CG-CG2 4.49Å; T407-L496 HydrophobicContact CG2-CD1 4.43Å; T407-Y515 HydrophobicContact CG2-CE2 3.86Å; T407-Y515 WeakPolarHBondContact CG2-OH 3.32Å; T407-Y515 PolarHBondContact OG1-OH 3.33Å; T407-T516 PolarHBondContact N-O 3Å; T407-T516 VanDerWaalsContact N-O 3.11Å; T407-H517 WeakPolarHBondContact OG1-CA 3.41Å; T407-H517 PolarHBondContact OG1-ND1 2.86Å; T407-I518 PolarHBondContact O-N 3.24Å |
| 408 | I | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 122.7 | 177.5 | -48.4 | -178.8 | 0 | 0 | 0 | 108.2 | F293 V294 G295 K296 G322 A325 V326 I518 M520 P535 L539 | F293-I408 HydrophobicContact CD1-CD1 3.92Å; F293-I408 HydrophobicContact CD1-CG1 4.38Å; F293-I408 HydrophobicContact CE1-CD1 4.26Å; V294-I408 PolarHBondContact O-N 3.5Å; G295-I408 WeakPolarHBondContact CA-O 3.45Å; K296-I408 PolarHBondContact N-O 3.07Å; G322-I408 VanDerWaalsContact CA-O 3.27Å; G322-I408 WeakPolarHBondContact CA-O 3.42Å; A325-I408 HydrophobicContact CB-CG2 4.24Å; V326-I408 HydrophobicContact CG2-CB 4.5Å; V326-I408 HydrophobicContact CG2-CD1 3.96Å; V326-I408 HydrophobicContact CG2-CG1 4.39Å; I408-I518 HydrophobicContact CG1-CD1 4.41Å; I408-M520 HydrophobicContact CG2-CG 4.13Å; I408-M520 HydrophobicContact CG2-SD 3.47Å; I408-M520 WeakPolarHBondContact CG2-SD 3.32Å; I408-P535 HydrophobicContact CG2-CG 4.35Å; I408-L539 HydrophobicContact CD1-CD1 3.64Å |
| 409 | A | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 147.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K296 M386 L411 I518 D519 M520 | K296-A409 HydrophobicContact CB-CB 3.5Å; K296-A409 HydrophobicContact CD-CB 3.95Å; K296-A409 HydrophobicContact CG-CB 4.31Å; M386-A409 HydrophobicContact CE-CB 3.64Å; M386-A409 HydrophobicContact SD-CB 4.1Å; A409-L411 HydrophobicContact CB-CB 3.9Å; A409-L411 HydrophobicContact CB-CD1 4.13Å; A409-L411 HydrophobicContact CB-CG 4.48Å; A409-L411 PolarHBondContact O-N 3.26Å; A409-L411 VanDerWaalsContact O-N 3.13Å; A409-I518 PolarHBondContact N-O 2.87Å; A409-D519 WeakPolarHBondContact O-CA 3.4Å; A409-M520 WeakPolarHBondContact O-CG 3.33Å; A409-M520 PolarHBondContact O-N 3.09Å |
| 410 | T | 96.5 | Very high | 96.4 | Very high | 14 Ų | 14 | 29.1 Ų | 29.1 | 9% | 0.086 | 18% | 0.181 | C | C | . | . | trans | -76.1 | 73.8 | 155.3 | 38.8 | 0 | 0 | 0 | 0 | 108.5 | K296 D319 C321 N524 | K296-T410 PolarHBondContact NZ-O 2.86Å; D319-T410 WeakPolarHBondContact CA-OG1 3.13Å; D319-T410 PolarHBondContact O-OG1 2.91Å; D319-T410 WeakPolarHBondContact OD1-CB 3.31Å; D319-T410 PolarHBondContact OD1-OG1 3.33Å; C321-T410 HydrophobicContact CB-CG2 3.92Å; T410-N524 WeakPolarHBondContact CG2-ND2 3.41Å | ||
| 411 | L | 95.7 | Very high | 96 | Very high | 22 Ų | 22 | 32.3 Ų | 32.3 | 12% | 0.115 | 20% | 0.199 | C | C | . | . | trans | -91.2 | -43.2 | -163.2 | -157.7 | 60.4 | 0 | 0 | 0 | 113 | K296 R383 M386 A409 P492 L496 H517 D519 | K296-L411 HydrophobicContact CD-CD1 4.33Å; R383-L411 HydrophobicContact CB-CD1 4.14Å; R383-L411 HydrophobicContact CB-CD2 4.47Å; M386-L411 HydrophobicContact CE-CD1 4Å; M386-L411 HydrophobicContact CE-CD2 4.46Å; A409-L411 HydrophobicContact CB-CB 3.9Å; A409-L411 HydrophobicContact CB-CD1 4.13Å; A409-L411 HydrophobicContact CB-CG 4.48Å; A409-L411 PolarHBondContact O-N 3.26Å; A409-L411 VanDerWaalsContact O-N 3.13Å; L411-P492 HydrophobicContact CD2-CB 3.41Å; L411-P492 VanDerWaalsContact CD2-CB 3.41Å; L411-P492 HydrophobicContact CD2-CG 4.21Å; L411-P492 HydrophobicContact CG-CB 4.15Å; L411-L496 HydrophobicContact CD2-CD1 4.38Å; L411-H517 VanDerWaalsContact CD2-CE1 3.46Å; L411-H517 WeakPolarHBondContact CD2-CE1 3.36Å; L411-H517 VanDerWaalsContact CD2-NE2 3.29Å; L411-H517 WeakPolarHBondContact CD2-NE2 3.46Å; L411-D519 PolarHBondContact N-OD1 3.5Å; L411-D519 VanDerWaalsContact N-OD1 3.08Å | ||
| 412 | T | 94.5 | Very high | 95.6 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | trans | -142.8 | 138.5 | -170.1 | 71.8 | 0 | 0 | 0 | 0 | 114.6 | H414 A415 G488 H489 P492 D519 A521 | T412-H414 PolarHBondContact O-N 2.82Å; T412-A415 PolarHBondContact O-N 3.45Å; T412-A415 PolarHBondContact OG1-N 3.25Å; T412-G488 WeakPolarHBondContact CG2-O 3.28Å; T412-H489 WeakPolarHBondContact OG1-CA 3.47Å; T412-H489 WeakPolarHBondContact OG1-CB 3.44Å; T412-P492 HydrophobicContact CG2-CB 4.5Å; T412-P492 HydrophobicContact CG2-CG 3.54Å; T412-D519 WeakPolarHBondContact CB-OD2 3.46Å; T412-D519 PolarHBondContact N-OD1 2.94Å; T412-D519 PolarHBondContact N-OD2 3.02Å; T412-D519 VanDerWaalsContact N-OD2 3.12Å; T412-D519 PolarHBondContact OG1-OD2 3.02Å; T412-A521 WeakPolarHBondContact O-CB 3.2Å | ||
| 413 | G | 92.3 | Very high | 95.5 | Very high | 36 Ų | 36 | 28.7 Ų | 28.7 | 37% | 0.371 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.7 | -26.7 | 169 | 0 | 0 | 0 | 0 | 0 | 112.3 | A415 G416 L417 S482 | G413-A415 VanDerWaalsContact C-N 3.29Å; G413-A415 PolarHBondContact O-N 2.94Å; G413-G416 PolarHBondContact O-N 2.8Å; G413-G416 VanDerWaalsContact O-N 3.13Å; G413-L417 PolarHBondContact O-N 3.2Å; G413-L417 VanDerWaalsContact O-N 3.09Å; G413-S482 PolarHBondContact N-OG 2.9Å; G413-S482 VanDerWaalsContact N-OG 3.14Å |
| 414 | H | 95.6 | Very high | 95.5 | Very high | 35 Ų | 35 | 27.9 Ų | 27.9 | 16% | 0.162 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.3 | -36.6 | 174.4 | -171.7 | -62 | 0 | 0 | 0 | 112.4 | T412 G416 L417 T418 S482 T485 G488 H489 | T412-H414 PolarHBondContact O-N 2.82Å; H414-G416 VanDerWaalsContact C-N 3.28Å; H414-G416 PolarHBondContact O-N 3.45Å; H414-L417 PolarHBondContact O-N 3.4Å; H414-T418 PolarHBondContact CE1-OG1 3.16Å; H414-T418 VanDerWaalsContact CE1-OG1 3.26Å; H414-T418 PolarHBondContact ND1-OG1 2.97Å; H414-T418 PolarHBondContact O-N 3.25Å; H414-T418 PolarHBondContact O-OG1 3.3Å; H414-S482 WeakPolarHBondContact CB-O 3.26Å; H414-T485 PolarHBondContact CD2-O 3Å; H414-T485 PolarHBondContact NE2-O 3.07Å; H414-G488 PolarHBondContact CD2-N 3.04Å; H414-G488 VanDerWaalsContact CD2-N 3.26Å; H414-G488 PolarHBondContact NE2-N 2.83Å; H414-H489 AromaticContact CE1-CE1 3.87Å; H414-H489 AromaticContact CE1-ND1 3.43Å; H414-H489 PolarHBondContact CE1-ND1 3.46Å; H414-H489 AromaticContact CG-ND1 3.97Å; H414-H489 AromaticContact ND1-CE1 3.77Å; H414-H489 AromaticContact ND1-ND1 2.96Å; H414-H489 PolarHBondContact ND1-ND1 3.35Å |
| 415 | A | 95.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.7 | -45 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | T412 G413 L417 T418 V419 I425 H489 D519 | T412-A415 PolarHBondContact O-N 3.45Å; T412-A415 PolarHBondContact OG1-N 3.25Å; G413-A415 VanDerWaalsContact C-N 3.29Å; G413-A415 PolarHBondContact O-N 2.94Å; A415-L417 PolarHBondContact O-N 2.85Å; A415-T418 WeakPolarHBondContact O-CB 3.49Å; A415-T418 PolarHBondContact O-N 3.37Å; A415-V419 WeakPolarHBondContact O-CG2 3.38Å; A415-V419 PolarHBondContact O-N 2.85Å; A415-V419 VanDerWaalsContact O-N 3.15Å; A415-I425 HydrophobicContact CB-CD1 3.76Å; A415-I425 HydrophobicContact CB-CG1 4.41Å; A415-H489 HydrophobicContact CB-CB 4.01Å; A415-D519 HydrophobicContact CB-CB 4.12Å; A415-D519 WeakPolarHBondContact CB-OD2 3.39Å |
| 416 | G | 93.1 | Very high | 95.4 | Very high | 20 Ų | 20 | 27.7 Ų | 27.7 | 21% | 0.206 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.1 | -39 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G413 H414 T418 G420 A522 | G413-G416 PolarHBondContact O-N 2.8Å; G413-G416 VanDerWaalsContact O-N 3.13Å; H414-G416 VanDerWaalsContact C-N 3.28Å; H414-G416 PolarHBondContact O-N 3.45Å; G416-T418 PolarHBondContact O-N 3.28Å; G416-G420 VanDerWaalsContact O-CA 3.26Å; G416-G420 WeakPolarHBondContact O-CA 3.31Å; G416-G420 PolarHBondContact O-N 3.19Å; G416-A522 VanDerWaalsContact CA-CB 3.48Å |
| 417 | L | 94.8 | Very high | 95.4 | Very high | 127 Ų | 127 | 27.7 Ų | 27.7 | 67% | 0.665 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -67.9 | -22.7 | 173.3 | -65.3 | 179.8 | 0 | 0 | 0 | 113.3 | G413 H414 A415 V483 | G413-L417 PolarHBondContact O-N 3.2Å; G413-L417 VanDerWaalsContact O-N 3.09Å; H414-L417 PolarHBondContact O-N 3.4Å; A415-L417 PolarHBondContact O-N 2.85Å; L417-V483 HydrophobicContact CD1-CB 3.74Å; L417-V483 HydrophobicContact CD1-CG1 3.86Å; L417-V483 HydrophobicContact CG-CG1 4.47Å |
| 418 | T | 96.1 | Very high | 95.4 | Very high | 66 Ų | 66 | 28.3 Ų | 28.3 | 41% | 0.405 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -82.7 | -47.1 | -176.8 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | H414 A415 G416 I425 | H414-T418 PolarHBondContact CE1-OG1 3.16Å; H414-T418 VanDerWaalsContact CE1-OG1 3.26Å; H414-T418 PolarHBondContact ND1-OG1 2.97Å; H414-T418 PolarHBondContact O-N 3.25Å; H414-T418 PolarHBondContact O-OG1 3.3Å; A415-T418 WeakPolarHBondContact O-CB 3.49Å; A415-T418 PolarHBondContact O-N 3.37Å; G416-T418 PolarHBondContact O-N 3.28Å; T418-I425 HydrophobicContact CG2-CD1 4.23Å |
| 419 | V | 94.7 | Very high | 95.4 | Very high | 34 Ų | 34 | 28.6 Ų | 28.6 | 21% | 0.206 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -115.7 | -10.4 | -171.2 | -63.3 | 0 | 0 | 0 | 0 | 114.1 | A415 Y423 I425 E453 | A415-V419 WeakPolarHBondContact O-CG2 3.38Å; A415-V419 PolarHBondContact O-N 2.85Å; A415-V419 VanDerWaalsContact O-N 3.15Å; V419-Y423 HydrophobicContact CB-CG 4.32Å; V419-Y423 HydrophobicContact CG2-CG 4.49Å; V419-Y423 WeakPolarHBondContact O-CD2 3.29Å; V419-I425 HydrophobicContact CB-CG1 4.46Å; V419-I425 HydrophobicContact CG1-CD1 3.78Å; V419-I425 HydrophobicContact CG1-CG1 3.79Å; V419-I425 HydrophobicContact CG2-CD1 3.96Å; V419-I425 HydrophobicContact CG2-CG1 3.77Å; V419-E453 HydrophobicContact CB-CG 4.45Å; V419-E453 HydrophobicContact CG1-CB 3.83Å; V419-E453 HydrophobicContact CG1-CG 3.98Å |
| 420 | G | 92.4 | Very high | 95.4 | Very high | 31 Ų | 31 | 30 Ų | 30 | 32% | 0.32 | 19% | 0.194 | S | C | . | . | trans | 77.9 | 177.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G416 A522 | G416-G420 VanDerWaalsContact O-CA 3.26Å; G416-G420 WeakPolarHBondContact O-CA 3.31Å; G416-G420 PolarHBondContact O-N 3.19Å; G420-A522 VanDerWaalsContact O-CB 3.22Å; G420-A522 WeakPolarHBondContact O-CB 3.41Å | ||
| 421 | N | 89.6 | Confident | 95.5 | Very high | 114 Ų | 114 | 29.5 Ų | 29.5 | 61% | 0.61 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 143.6 | 178.6 | -67.8 | -19.5 | 0 | 0 | 0 | 110.9 | Y423 | N421-Y423 WeakPolarHBondContact O-CD2 3.37Š|
| 422 | G | 89.3 | Confident | 95.6 | Very high | 24 Ų | 24 | 28.5 Ų | 28.5 | 25% | 0.247 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100.6 | -8.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A522 | G422-A522 PolarHBondContact N-O 2.89Š|
| 423 | Y | 95 | Very high | 95.7 | Very high | 50 Ų | 50 | 31.4 Ų | 31.4 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | trans | -120.3 | 143 | -172.9 | -60.9 | -92.4 | 0 | 0 | 0 | 111 | R94 V419 N421 I451 E453 A522 G523 | R94-Y423 PolarHBondContact NH1-OH 3.43Å; R94-Y423 PolarHBondContact NH2-OH 3.09Å; V419-Y423 HydrophobicContact CB-CG 4.32Å; V419-Y423 HydrophobicContact CG2-CG 4.49Å; V419-Y423 WeakPolarHBondContact O-CD2 3.29Å; N421-Y423 WeakPolarHBondContact O-CD2 3.37Å; Y423-I451 HydrophobicContact CD1-CB 3.81Å; Y423-I451 HydrophobicContact CD1-CG2 3.62Å; Y423-I451 HydrophobicContact CE1-CB 4.05Å; Y423-I451 HydrophobicContact CE1-CD1 3.94Å; Y423-I451 HydrophobicContact CE1-CG2 3.81Å; Y423-E453 HydrophobicContact CD1-CG 3.99Å; Y423-A522 CarbonylContact O-C 3.54Å; Y423-G523 PolarHBondContact O-N 2.89Å | ||
| 424 | S | 97.4 | Very high | 96 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 163 | 163.1 | -55.3 | 0 | 0 | 0 | 0 | 109.8 | I451 V452 E453 D519 M520 | S424-I451 PolarHBondContact N-O 2.73Å; S424-V452 CarbonylContact O-C 3.58Å; S424-V452 WeakPolarHBondContact O-CA 3.47Å; S424-E453 PolarHBondContact O-N 3.41Å; S424-D519 CarbonylContact C-O 3.47Å; S424-D519 WeakPolarHBondContact CA-O 3.34Å; S424-M520 WeakPolarHBondContact OG-CB 3.4Å |
| 425 | I | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 124.2 | 174.8 | -57 | -179.3 | 0 | 0 | 0 | 109.6 | A415 T418 V419 V427 E453 I518 D519 | A415-I425 HydrophobicContact CB-CD1 3.76Å; A415-I425 HydrophobicContact CB-CG1 4.41Å; T418-I425 HydrophobicContact CG2-CD1 4.23Å; V419-I425 HydrophobicContact CB-CG1 4.46Å; V419-I425 HydrophobicContact CG1-CD1 3.78Å; V419-I425 HydrophobicContact CG1-CG1 3.79Å; V419-I425 HydrophobicContact CG2-CD1 3.96Å; V419-I425 HydrophobicContact CG2-CG1 3.77Å; I425-V427 HydrophobicContact CG2-CG2 4.03Å; I425-E453 CarbonylContact C-O 3.5Å; I425-E453 WeakPolarHBondContact CA-O 3.42Å; I425-I518 CarbonylContact O-C 3.54Å; I425-I518 WeakPolarHBondContact O-CA 3.29Å; I425-D519 PolarHBondContact N-O 2.77Å; I425-D519 PolarHBondContact O-N 3.42Å |
| 426 | A | 98.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 131.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L441 V452 E453 L454 S455 T516 H517 | A426-L441 HydrophobicContact CB-CD2 3.96Å; A426-V452 HydrophobicContact CB-CG1 3.52Å; A426-E453 PolarHBondContact N-O 2.82Å; A426-L454 HydrophobicContact CB-CD2 3.93Å; A426-S455 PolarHBondContact O-N 3.2Å; A426-T516 HydrophobicContact CB-CG2 3.85Å; A426-H517 CarbonylContact C-O 3.57Å; A426-H517 WeakPolarHBondContact CA-O 3.4Å |
| 427 | V | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 107.6 | 178.1 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | I425 L457 T490 A493 H517 | I425-V427 HydrophobicContact CG2-CG2 4.03Å; V427-L457 HydrophobicContact CG1-CD1 4.17Å; V427-L457 HydrophobicContact CG1-CD2 3.55Å; V427-L457 HydrophobicContact CG1-CG 3.48Å; V427-L457 VanDerWaalsContact CG1-CG 3.48Å; V427-T490 HydrophobicContact CG1-CG2 4.19Å; V427-T490 HydrophobicContact CG2-CG2 4.1Å; V427-A493 HydrophobicContact CB-CB 4.07Å; V427-A493 HydrophobicContact CG1-CB 3.75Å; V427-H517 HydrophobicContact CB-CB 4.35Å; V427-H517 PolarHBondContact N-O 2.86Å; V427-H517 PolarHBondContact O-N 3.44Å |
| 428 | C | 98.5 | Very high | 96.4 | Very high | 14 Ų | 14 | 34 Ų | 34 | 10% | 0.095 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 143.6 | -176.2 | -68.3 | 0 | 0 | 0 | 0 | 112.2 | A432 Q433 L457 Y515 T516 | C428-A432 HydrophobicContact CB-CB 3.84Å; C428-Q433 HydrophobicContact CB-CB 4.37Å; C428-L457 WeakPolarHBondContact O-CD1 3.21Å; C428-Y515 WeakPolarHBondContact CA-O 3.41Å; C428-T516 PolarHBondContact SG-OG1 2.87Å; C428-T516 VanDerWaalsContact SG-OG1 3.33Å |
| 429 | N | 98.4 | Very high | 96.5 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.027 | 20% | 0.199 | C | C | . | . | trans | -73.3 | 175.5 | 163.8 | 79.3 | -15.1 | 0 | 0 | 0 | 111.5 | A432 Q433 I497 I513 Y515 | N429-A432 PolarHBondContact O-N 3.27Å; N429-A432 WeakPolarHBondContact OD1-CB 3.5Å; N429-A432 PolarHBondContact OD1-N 3.27Å; N429-Q433 WeakPolarHBondContact O-CB 3.24Å; N429-Q433 PolarHBondContact O-N 2.9Å; N429-I497 HydrophobicContact CB-CD1 4.01Å; N429-I513 PolarHBondContact ND2-O 3.02Å; N429-Y515 HydrophobicContact CB-CD1 4.35Å; N429-Y515 PolarHBondContact N-O 2.73Å; N429-Y515 PolarHBondContact OD1-N 2.89Å; N429-Y515 PolarHBondContact OD1-O 3.42Å | ||
| 430 | G | 98 | Very high | 96.6 | Very high | 29 Ų | 29 | 38.1 Ų | 38.1 | 30% | 0.299 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -52.7 | -55.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A432 Q433 K434 C507 | G430-A432 PolarHBondContact O-N 3.06Å; G430-Q433 PolarHBondContact O-N 3.21Å; G430-K434 WeakPolarHBondContact O-CB 3.31Å; G430-K434 PolarHBondContact O-N 3.14Å; G430-C507 VanDerWaalsContact CA-SG 3.6Å |
| 431 | P | 98.3 | Very high | 96.9 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.032 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.7 | -44.4 | 178.2 | -29.6 | 35 | 0 | 0 | 0 | 114.4 | K434 N435 H505 P512 K514 | P431-K434 PolarHBondContact O-N 2.8Å; P431-N435 PolarHBondContact O-N 3.05Å; P431-N435 PolarHBondContact O-ND2 2.92Å; P431-H505 WeakPolarHBondContact CG-O 3.3Å; P431-P512 HydrophobicContact CB-CB 4.12Å; P431-P512 HydrophobicContact CG-CB 3.84Å; P431-K514 HydrophobicContact CB-CG 4.3Å |
| 432 | A | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.5 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | C428 N429 G430 N435 G436 E437 K514 Y515 | C428-A432 HydrophobicContact CB-CB 3.84Å; N429-A432 PolarHBondContact O-N 3.27Å; N429-A432 WeakPolarHBondContact OD1-CB 3.5Å; N429-A432 PolarHBondContact OD1-N 3.27Å; G430-A432 PolarHBondContact O-N 3.06Å; A432-N435 PolarHBondContact O-N 3.11Å; A432-G436 PolarHBondContact O-N 3.16Å; A432-E437 HydrophobicContact CB-CB 4.08Å; A432-E437 HydrophobicContact CB-CG 4.14Å; A432-E437 WeakPolarHBondContact O-CB 3.45Å; A432-E437 WeakPolarHBondContact O-CG 2.82Å; A432-E437 PolarHBondContact O-N 3.29Å; A432-K514 HydrophobicContact CB-CB 4.1Å; A432-Y515 WeakPolarHBondContact CB-O 3.48Å |
| 433 | Q | 97.4 | Very high | 97.5 | Very high | 67 Ų | 67 | 37 Ų | 37 | 31% | 0.313 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62 | -45.9 | 175 | -179 | 172.5 | 31.2 | 0 | 0 | 111.9 | C428 N429 G430 N435 G436 R456 | C428-Q433 HydrophobicContact CB-CB 4.37Å; N429-Q433 WeakPolarHBondContact O-CB 3.24Å; N429-Q433 PolarHBondContact O-N 2.9Å; G430-Q433 PolarHBondContact O-N 3.21Å; Q433-N435 PolarHBondContact O-N 2.82Å; Q433-G436 PolarHBondContact O-N 2.74Å; Q433-R456 VanDerWaalsContact NE2-CZ 3.35Å |
| 434 | K | 97.2 | Very high | 97.6 | Very high | 168 Ų | 168 | 34.7 Ų | 34.7 | 73% | 0.73 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -59.1 | -30.5 | 178.5 | -174.6 | 178.8 | 178.6 | -178.4 | 0 | 112.3 | G430 P431 G436 | G430-K434 WeakPolarHBondContact O-CB 3.31Å; G430-K434 PolarHBondContact O-N 3.14Å; P431-K434 PolarHBondContact O-N 2.8Å; K434-G436 VanDerWaalsContact C-N 3.34Å |
| 435 | N | 96.8 | Very high | 97.5 | Very high | 77 Ų | 77 | 34.6 Ų | 34.6 | 41% | 0.412 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 3.7 | 178.5 | -75.9 | -86.8 | 0 | 0 | 0 | 113.7 | P431 A432 Q433 E437 K440 K514 | P431-N435 PolarHBondContact O-N 3.05Å; P431-N435 PolarHBondContact O-ND2 2.92Å; A432-N435 PolarHBondContact O-N 3.11Å; Q433-N435 PolarHBondContact O-N 2.82Å; N435-E437 HydrophobicContact CB-CG 3.94Å; N435-E437 PolarHBondContact O-N 3.26Å; N435-K440 PolarHBondContact O-NZ 3.03Å; N435-K514 HydrophobicContact CB-CD 4.01Å |
| 436 | G | 97 | Very high | 97.4 | Very high | 21 Ų | 21 | 36.5 Ų | 36.5 | 22% | 0.216 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 27.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A432 Q433 K434 G438 E439 K440 | A432-G436 PolarHBondContact O-N 3.16Å; Q433-G436 PolarHBondContact O-N 2.74Å; K434-G436 VanDerWaalsContact C-N 3.34Å; G436-G438 VanDerWaalsContact C-N 3.34Å; G436-G438 PolarHBondContact O-N 3.29Å; G436-E439 VanDerWaalsContact CA-OE2 3.31Å; G436-E439 WeakPolarHBondContact CA-OE2 3.04Å; G436-E439 PolarHBondContact O-N 2.57Å; G436-K440 WeakPolarHBondContact O-CB 3.48Å; G436-K440 WeakPolarHBondContact O-CD 3.49Å; G436-K440 VanDerWaalsContact O-CG 3.22Å; G436-K440 WeakPolarHBondContact O-CG 3.39Å; G436-K440 PolarHBondContact O-N 3Å |
| 437 | E | 97.3 | Very high | 97.1 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 2% | 0.023 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.5 | -38.2 | -173 | -66.1 | -61.7 | 168.2 | 0 | 0 | 112.3 | H404 A432 N435 L441 K514 R542 | H404-E437 IonicContact CE1-OE2 2.84Å; H404-E437 IonicContact ND1-OE2 2.7Å; A432-E437 HydrophobicContact CB-CB 4.08Å; A432-E437 HydrophobicContact CB-CG 4.14Å; A432-E437 WeakPolarHBondContact O-CB 3.45Å; A432-E437 WeakPolarHBondContact O-CG 2.82Å; A432-E437 PolarHBondContact O-N 3.29Å; N435-E437 HydrophobicContact CB-CG 3.94Å; N435-E437 PolarHBondContact O-N 3.26Å; E437-L441 WeakPolarHBondContact O-CB 3.48Å; E437-L441 PolarHBondContact O-N 2.89Å; E437-K514 HydrophobicContact CG-CD 3.98Å; E437-K514 WeakPolarHBondContact OE1-CD 3.12Å; E437-K514 IonicContact OE1-NZ 2.68Å; E437-K514 PolarHBondContact OE1-NZ 3.35Å; E437-R542 IonicContact OE1-NH2 3.3Å; E437-R542 IonicContact OE2-CZ 2.65Å; E437-R542 IonicContact OE2-NE 3.73Å; E437-R542 IonicContact OE2-NH2 3.53Å; E437-R542 PolarHBondContact OE2-NH2 3.5Å |
| 438 | G | 97.3 | Very high | 97 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.3 | -48.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | G436 K440 L441 R442 L454 | G436-G438 VanDerWaalsContact C-N 3.34Å; G436-G438 PolarHBondContact O-N 3.29Å; G438-K440 VanDerWaalsContact C-N 3.34Å; G438-K440 PolarHBondContact O-N 3.5Å; G438-L441 PolarHBondContact O-N 2.92Å; G438-L441 VanDerWaalsContact O-N 3.15Å; G438-R442 PolarHBondContact O-N 2.96Å; G438-L454 WeakPolarHBondContact O-CD2 3.43Å |
| 439 | E | 97.5 | Very high | 96.8 | Very high | 90 Ų | 90 | 36.2 Ų | 36.2 | 42% | 0.421 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.8 | -41.7 | 179.7 | -67.6 | 74.8 | -167.4 | 0 | 0 | 111.8 | G436 R442 A443 L454 | G436-E439 VanDerWaalsContact CA-OE2 3.31Å; G436-E439 WeakPolarHBondContact CA-OE2 3.04Å; G436-E439 PolarHBondContact O-N 2.57Å; E439-R442 PolarHBondContact O-N 3.14Å; E439-A443 WeakPolarHBondContact O-CB 3.43Å; E439-A443 PolarHBondContact O-N 3.36Å; E439-L454 HydrophobicContact CG-CD1 4.19Å |
| 440 | K | 97.5 | Very high | 96.7 | Very high | 97 Ų | 97 | 36.3 Ų | 36.3 | 42% | 0.422 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.3 | -43.4 | 173.8 | -70.4 | 165.2 | -177.6 | 164 | 0 | 111.6 | N435 G436 G438 A444 | N435-K440 PolarHBondContact O-NZ 3.03Å; G436-K440 WeakPolarHBondContact O-CB 3.48Å; G436-K440 WeakPolarHBondContact O-CD 3.49Å; G436-K440 VanDerWaalsContact O-CG 3.22Å; G436-K440 WeakPolarHBondContact O-CG 3.39Å; G436-K440 PolarHBondContact O-N 3Å; G438-K440 VanDerWaalsContact C-N 3.34Å; G438-K440 PolarHBondContact O-N 3.5Å; K440-A444 WeakPolarHBondContact O-CB 3.24Å; K440-A444 PolarHBondContact O-N 3.26Å |
| 441 | L | 97.7 | Very high | 96.7 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.4 | -47 | 177.7 | 177.6 | 60 | 0 | 0 | 0 | 111 | A426 E437 G438 A443 A444 S445 V452 I518 A538 R542 | A426-L441 HydrophobicContact CB-CD2 3.96Å; E437-L441 WeakPolarHBondContact O-CB 3.48Å; E437-L441 PolarHBondContact O-N 2.89Å; G438-L441 PolarHBondContact O-N 2.92Å; G438-L441 VanDerWaalsContact O-N 3.15Å; L441-A443 PolarHBondContact O-N 3.25Å; L441-A444 PolarHBondContact O-N 3.12Å; L441-S445 WeakPolarHBondContact O-CB 3.38Å; L441-S445 PolarHBondContact O-N 3.09Å; L441-S445 PolarHBondContact O-OG 3.13Å; L441-V452 HydrophobicContact CD2-CG1 4.03Å; L441-V452 HydrophobicContact CG-CB 4.34Å; L441-V452 HydrophobicContact CG-CG1 4.27Å; L441-V452 HydrophobicContact CG-CG2 4.39Å; L441-I518 HydrophobicContact CD2-CD1 4.01Å; L441-I518 HydrophobicContact CD2-CG1 4.45Å; L441-A538 HydrophobicContact CD1-CB 4.42Å; L441-R542 HydrophobicContact CB-CG 4.39Å; L441-R542 HydrophobicContact CD1-CB 3.86Å; L441-R542 HydrophobicContact CD1-CG 4.11Å |
| 442 | R | 97.2 | Very high | 96.6 | Very high | 104 Ų | 104 | 35.1 Ų | 35.1 | 39% | 0.392 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -57.6 | -49.4 | 176.6 | -178 | -179.9 | 71.2 | 81.5 | 5.3 | 111.1 | G438 E439 A444 S445 V446 V452 L454 | G438-R442 PolarHBondContact O-N 2.96Å; E439-R442 PolarHBondContact O-N 3.14Å; R442-A444 PolarHBondContact O-N 3.46Å; R442-S445 WeakPolarHBondContact CA-OG 3.26Å; R442-S445 WeakPolarHBondContact O-CB 3.33Å; R442-S445 PolarHBondContact O-N 3.23Å; R442-S445 VanDerWaalsContact O-N 3.15Å; R442-S445 PolarHBondContact O-OG 3.42Å; R442-V446 WeakPolarHBondContact O-CG2 3.09Å; R442-V446 PolarHBondContact O-N 3.38Å; R442-V452 WeakPolarHBondContact CB-O 3.29Å; R442-V452 VanDerWaalsContact CG-O 3.27Å; R442-V452 WeakPolarHBondContact CG-O 3.46Å; R442-L454 HydrophobicContact CB-CD1 4.27Å; R442-L454 HydrophobicContact CB-CD2 4.38Å; R442-L454 HydrophobicContact CB-CG 4.21Å |
| 443 | A | 95.8 | Very high | 96.6 | Very high | 38 Ų | 38 | 38.4 Ų | 38.4 | 31% | 0.314 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.3 | -46 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E439 L441 S445 V446 A447 Y547 | E439-A443 WeakPolarHBondContact O-CB 3.43Å; E439-A443 PolarHBondContact O-N 3.36Å; L441-A443 PolarHBondContact O-N 3.25Å; A443-S445 VanDerWaalsContact C-N 3.3Å; A443-S445 PolarHBondContact O-N 3.45Å; A443-V446 PolarHBondContact O-N 2.94Å; A443-A447 PolarHBondContact O-N 3.36Å; A443-Y547 HydrophobicContact CB-CD1 4.28Å; A443-Y547 HydrophobicContact CB-CE1 4.2Å |
| 444 | A | 96.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.2 | -36.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K440 L441 R442 A447 V448 A541 R542 Y547 | K440-A444 WeakPolarHBondContact O-CB 3.24Å; K440-A444 PolarHBondContact O-N 3.26Å; L441-A444 PolarHBondContact O-N 3.12Å; R442-A444 PolarHBondContact O-N 3.46Å; A444-A447 PolarHBondContact O-N 2.78Å; A444-V448 WeakPolarHBondContact O-CG2 3.47Å; A444-V448 PolarHBondContact O-N 3.15Å; A444-A541 HydrophobicContact CB-CB 3.91Å; A444-R542 HydrophobicContact CB-CB 3.9Å; A444-Y547 HydrophobicContact CB-CD1 4.39Å; A444-Y547 HydrophobicContact CB-CG 4.31Å |
| 445 | S | 96.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.3 | -38 | -178.5 | 80.7 | 0 | 0 | 0 | 0 | 113.3 | L441 R442 A443 V448 A449 D450 V452 | L441-S445 WeakPolarHBondContact O-CB 3.38Å; L441-S445 PolarHBondContact O-N 3.09Å; L441-S445 PolarHBondContact O-OG 3.13Å; R442-S445 WeakPolarHBondContact CA-OG 3.26Å; R442-S445 WeakPolarHBondContact O-CB 3.33Å; R442-S445 PolarHBondContact O-N 3.23Å; R442-S445 VanDerWaalsContact O-N 3.15Å; R442-S445 PolarHBondContact O-OG 3.42Å; A443-S445 VanDerWaalsContact C-N 3.3Å; A443-S445 PolarHBondContact O-N 3.45Å; S445-V448 PolarHBondContact O-N 3.22Å; S445-A449 PolarHBondContact O-N 3.41Å; S445-D450 VanDerWaalsContact CB-O 3.26Å; S445-D450 WeakPolarHBondContact CB-O 3.36Å; S445-D450 CarbonylContact O-C 3.54Å; S445-D450 PolarHBondContact O-N 3.15Å; S445-V452 PolarHBondContact OG-N 2.75Å |
| 446 | V | 94.8 | Very high | 96.6 | Very high | 40 Ų | 40 | 33.9 Ų | 33.9 | 24% | 0.242 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.2 | -48.1 | 175.2 | 171.5 | 0 | 0 | 0 | 0 | 109.7 | E93 R442 A443 V448 A449 I451 | E93-V446 WeakPolarHBondContact OE2-CG1 3.26Å; R442-V446 WeakPolarHBondContact O-CG2 3.09Å; R442-V446 PolarHBondContact O-N 3.38Å; A443-V446 PolarHBondContact O-N 2.94Å; V446-V448 PolarHBondContact O-N 3.35Å; V446-A449 PolarHBondContact O-N 2.62Å; V446-I451 HydrophobicContact CG2-CG2 4.37Å |
| 447 | A | 93.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.1 | -20.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T149 A443 A444 Y547 L551 | T149-A447 WeakPolarHBondContact CB-O 3.48Å; T149-A447 HydrophobicContact CG2-CB 4.34Å; T149-A447 WeakPolarHBondContact CG2-O 3.26Å; T149-A447 PolarHBondContact OG1-O 2.96Å; A443-A447 PolarHBondContact O-N 3.36Å; A444-A447 PolarHBondContact O-N 2.78Å; A447-Y547 HydrophobicContact CB-CD2 3.98Å; A447-Y547 HydrophobicContact CB-CE1 4.37Å; A447-Y547 HydrophobicContact CB-CE2 3.58Å; A447-L551 HydrophobicContact CB-CD1 4.17Å |
| 448 | V | 95.2 | Very high | 96.7 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117 | 14.2 | 178.2 | -58.4 | 0 | 0 | 0 | 0 | 114 | L152 A444 S445 V446 D450 A537 A541 L551 | L152-V448 HydrophobicContact CD2-CG1 4.18Å; A444-V448 WeakPolarHBondContact O-CG2 3.47Å; A444-V448 PolarHBondContact O-N 3.15Å; S445-V448 PolarHBondContact O-N 3.22Å; V446-V448 PolarHBondContact O-N 3.35Å; V448-D450 VanDerWaalsContact C-N 3.28Å; V448-D450 HydrophobicContact CG2-CB 4.14Å; V448-D450 PolarHBondContact O-N 3.37Å; V448-A537 HydrophobicContact CB-CB 4.46Å; V448-A537 HydrophobicContact CG2-CB 3.98Å; V448-A541 HydrophobicContact CG1-CB 3.71Å; V448-A541 HydrophobicContact CG2-CB 4.04Å; V448-L551 HydrophobicContact CG1-CD1 3.77Å |
| 449 | A | 95.5 | Very high | 96.6 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 40.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E93 R94 K97 V153 S445 V446 | E93-A449 HydrophobicContact CB-CB 4.3Å; R94-A449 HydrophobicContact CG-CB 3.8Å; K97-A449 HydrophobicContact CB-CB 4.31Å; K97-A449 HydrophobicContact CD-CB 3.75Å; K97-A449 PolarHBondContact NZ-O 3.22Å; V153-A449 HydrophobicContact CB-CB 4.28Å; V153-A449 HydrophobicContact CG1-CB 4.02Å; S445-A449 PolarHBondContact O-N 3.41Å; V446-A449 PolarHBondContact O-N 2.62Å |
| 450 | D | 96.2 | Very high | 96.6 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | trans | -131.9 | 61.4 | 177 | -173.8 | 10.8 | 0 | 0 | 0 | 109.1 | S445 V448 C534 P535 V536 A537 A538 | S445-D450 VanDerWaalsContact CB-O 3.26Å; S445-D450 WeakPolarHBondContact CB-O 3.36Å; S445-D450 CarbonylContact O-C 3.54Å; S445-D450 PolarHBondContact O-N 3.15Å; V448-D450 VanDerWaalsContact C-N 3.28Å; V448-D450 HydrophobicContact CG2-CB 4.14Å; V448-D450 PolarHBondContact O-N 3.37Å; D450-C534 VanDerWaalsContact OD1-CB 3.24Å; D450-C534 WeakPolarHBondContact OD1-CB 3.44Å; D450-C534 PolarHBondContact OD1-SG 3.14Å; D450-P535 WeakPolarHBondContact OD2-CA 3.32Å; D450-V536 PolarHBondContact OD2-N 2.76Å; D450-A537 HydrophobicContact CB-CB 3.97Å; D450-A537 WeakPolarHBondContact OD2-CB 3.3Å; D450-A537 PolarHBondContact OD2-N 3.04Å; D450-A537 VanDerWaalsContact OD2-N 3.15Å; D450-A538 HydrophobicContact CB-CB 4.13Å; D450-A538 WeakPolarHBondContact O-CB 3.19Å; D450-A538 PolarHBondContact OD2-N 3Å | ||
| 451 | I | 96.2 | Very high | 96.6 | Very high | 8 Ų | 8 | 41.9 Ų | 41.9 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | trans | -68 | 132 | -156.2 | -55.9 | 177.6 | 0 | 0 | 0 | 112.9 | R94 Y423 S424 V446 | R94-I451 HydrophobicContact CG-CD1 4.35Å; Y423-I451 HydrophobicContact CD1-CB 3.81Å; Y423-I451 HydrophobicContact CD1-CG2 3.62Å; Y423-I451 HydrophobicContact CE1-CB 4.05Å; Y423-I451 HydrophobicContact CE1-CD1 3.94Å; Y423-I451 HydrophobicContact CE1-CG2 3.81Å; S424-I451 PolarHBondContact N-O 2.73Å; V446-I451 HydrophobicContact CG2-CG2 4.37Å | ||
| 452 | V | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 112.1 | 173.2 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | S424 A426 L441 R442 S445 P535 A538 | S424-V452 CarbonylContact O-C 3.58Å; S424-V452 WeakPolarHBondContact O-CA 3.47Å; A426-V452 HydrophobicContact CB-CG1 3.52Å; L441-V452 HydrophobicContact CD2-CG1 4.03Å; L441-V452 HydrophobicContact CG-CB 4.34Å; L441-V452 HydrophobicContact CG-CG1 4.27Å; L441-V452 HydrophobicContact CG-CG2 4.39Å; R442-V452 WeakPolarHBondContact CB-O 3.29Å; R442-V452 VanDerWaalsContact CG-O 3.27Å; R442-V452 WeakPolarHBondContact CG-O 3.46Å; S445-V452 PolarHBondContact OG-N 2.75Å; V452-P535 HydrophobicContact CG2-CB 4.49Å; V452-A538 HydrophobicContact CG2-CB 4.08Å |
| 453 | E | 97.5 | Very high | 96.6 | Very high | 69 Ų | 69 | 44.3 Ų | 44.3 | 32% | 0.322 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 163 | 172.7 | -70.7 | -57.4 | 156.3 | 0 | 0 | 112.1 | V419 Y423 S424 I425 A426 | V419-E453 HydrophobicContact CB-CG 4.45Å; V419-E453 HydrophobicContact CG1-CB 3.83Å; V419-E453 HydrophobicContact CG1-CG 3.98Å; Y423-E453 HydrophobicContact CD1-CG 3.99Å; S424-E453 PolarHBondContact O-N 3.41Å; I425-E453 CarbonylContact C-O 3.5Å; I425-E453 WeakPolarHBondContact CA-O 3.42Å; A426-E453 PolarHBondContact N-O 2.82Å |
| 454 | L | 97.5 | Very high | 96.6 | Very high | 57 Ų | 57 | 44.6 Ų | 44.6 | 30% | 0.298 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 133.1 | -176.6 | -59.6 | -179.8 | 0 | 0 | 0 | 111.9 | A426 G438 E439 R442 | A426-L454 HydrophobicContact CB-CD2 3.93Å; G438-L454 WeakPolarHBondContact O-CD2 3.43Å; E439-L454 HydrophobicContact CG-CD1 4.19Å; R442-L454 HydrophobicContact CB-CD1 4.27Å; R442-L454 HydrophobicContact CB-CD2 4.38Å; R442-L454 HydrophobicContact CB-CG 4.21Å |
| 455 | S | 97.8 | Very high | 96.7 | Very high | 32 Ų | 32 | 44.6 Ų | 44.6 | 22% | 0.224 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 148 | 165.8 | -78.1 | 0 | 0 | 0 | 0 | 111.1 | A426 H489 | A426-S455 PolarHBondContact O-N 3.2Å; S455-H489 WeakPolarHBondContact CB-NE2 3.49Å; S455-H489 PolarHBondContact OG-NE2 3.21Å |
| 456 | R | 97 | Very high | 96.7 | Very high | 129 Ų | 129 | 50.1 Ų | 50.1 | 49% | 0.487 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 128.9 | -171.7 | -176.9 | 165.1 | -178 | 174.6 | 1.5 | 110.7 | Q433 R487 | Q433-R456 VanDerWaalsContact NE2-CZ 3.35Å; R456-R487 PolarHBondContact O-NH2 3.25Å |
| 457 | L | 98 | Very high | 96.8 | Very high | 20 Ų | 20 | 49.5 Ų | 49.5 | 11% | 0.105 | 23% | 0.231 | C | C | . | . | trans | -61.4 | 140.3 | 167.2 | -68.6 | 170.9 | 0 | 0 | 0 | 110.7 | V427 C428 D461 Y462 A493 A494 I497 | V427-L457 HydrophobicContact CG1-CD1 4.17Å; V427-L457 HydrophobicContact CG1-CD2 3.55Å; V427-L457 HydrophobicContact CG1-CG 3.48Å; V427-L457 VanDerWaalsContact CG1-CG 3.48Å; C428-L457 WeakPolarHBondContact O-CD1 3.21Å; L457-D461 WeakPolarHBondContact CA-OD2 3.32Å; L457-D461 HydrophobicContact CD2-CB 4.33Å; L457-Y462 HydrophobicContact CB-CE2 4.3Å; L457-A493 HydrophobicContact CD2-CB 4.16Å; L457-A494 HydrophobicContact CD2-CB 4.17Å; L457-I497 HydrophobicContact CD1-CD1 3.45Å; L457-I497 VanDerWaalsContact CD1-CD1 3.45Å | ||
| 458 | R | 97.5 | Very high | 96.9 | Very high | 117 Ų | 117 | 57 Ų | 57 | 44% | 0.442 | 27% | 0.266 | S | S | . | . | trans | -129.3 | 163.6 | 176.1 | -57 | -64.7 | -177.9 | 173.7 | 5.3 | 109.5 | E460 D461 Y462 R487 | R458-E460 WeakPolarHBondContact CB-OE2 3.36Å; R458-E460 PolarHBondContact O-N 3.36Å; R458-D461 PolarHBondContact N-OD2 3.27Å; R458-D461 WeakPolarHBondContact O-CB 3.42Å; R458-D461 PolarHBondContact O-N 2.98Å; R458-Y462 WeakPolarHBondContact O-CD2 3.42Å; R458-R487 VanDerWaalsContact CG-NH2 3.34Å | ||
| 459 | R | 96.5 | Very high | 96.9 | Very high | 174 Ų | 174 | 59.1 Ų | 59.1 | 66% | 0.657 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -56.4 | -35.6 | -179.2 | 62.7 | 179.6 | 178.4 | -101.9 | -17.1 | 111.7 | D461 Y462 E463 | R459-D461 PolarHBondContact O-N 3.01Å; R459-Y462 PolarHBondContact O-N 3.46Å; R459-E463 WeakPolarHBondContact O-CG 3.49Å; R459-E463 PolarHBondContact O-N 3.13Å |
| 460 | E | 96.8 | Very high | 96.9 | Very high | 71 Ų | 71 | 66.2 Ų | 66.2 | 33% | 0.332 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.8 | -30.9 | 179.6 | -62.9 | 79.3 | -176.2 | 0 | 0 | 111.6 | R458 Y462 A464 | R458-E460 WeakPolarHBondContact CB-OE2 3.36Å; R458-E460 PolarHBondContact O-N 3.36Å; E460-Y462 VanDerWaalsContact C-N 3.33Å; E460-Y462 PolarHBondContact O-N 2.92Å; E460-A464 VanDerWaalsContact O-CB 3.29Å; E460-A464 WeakPolarHBondContact O-CB 3.49Å; E460-A464 PolarHBondContact O-N 3.15Å |
| 461 | D | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67 | -36.4 | 176.6 | -58.7 | -50.3 | 0 | 0 | 0 | 111.7 | L457 R458 R459 N465 R487 T490 I491 A494 | L457-D461 WeakPolarHBondContact CA-OD2 3.32Å; L457-D461 HydrophobicContact CD2-CB 4.33Å; R458-D461 PolarHBondContact N-OD2 3.27Å; R458-D461 WeakPolarHBondContact O-CB 3.42Å; R458-D461 PolarHBondContact O-N 2.98Å; R459-D461 PolarHBondContact O-N 3.01Å; D461-N465 PolarHBondContact O-ND2 3.25Å; D461-R487 IonicContact OD1-CZ 3.67Å; D461-R487 IonicContact OD1-NE 2.74Å; D461-R487 PolarHBondContact OD1-NE 3.47Å; D461-R487 IonicContact OD1-NH2 3.24Å; D461-R487 PolarHBondContact OD1-NH2 3.31Å; D461-R487 IonicContact OD2-CZ 2.73Å; D461-R487 IonicContact OD2-NE 3.64Å; D461-R487 PolarHBondContact OD2-NE 3.34Å; D461-R487 IonicContact OD2-NH2 3.44Å; D461-R487 PolarHBondContact OD2-NH2 2.65Å; D461-T490 WeakPolarHBondContact OD1-CB 3.45Å; D461-T490 PolarHBondContact OD1-OG1 3.07Å; D461-T490 PolarHBondContact OD2-OG1 3.06Å; D461-I491 HydrophobicContact CB-CG1 4.4Å; D461-A494 HydrophobicContact CB-CB 3.69Å; D461-A494 WeakPolarHBondContact O-CB 3.49Å |
| 462 | Y | 97.7 | Very high | 97 | Very high | 64 Ų | 64 | 72.5 Ų | 72.5 | 25% | 0.251 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -77.1 | -42.1 | 176.8 | -66.9 | -93.4 | 0 | 0 | 0 | 111 | L457 R458 R459 E460 A464 N465 K466 A494 I497 M498 | L457-Y462 HydrophobicContact CB-CE2 4.3Å; R458-Y462 WeakPolarHBondContact O-CD2 3.42Å; R459-Y462 PolarHBondContact O-N 3.46Å; E460-Y462 VanDerWaalsContact C-N 3.33Å; E460-Y462 PolarHBondContact O-N 2.92Å; Y462-A464 VanDerWaalsContact C-N 3.29Å; Y462-A464 PolarHBondContact O-N 3.15Å; Y462-N465 PolarHBondContact O-N 3.47Å; Y462-N465 VanDerWaalsContact O-N 3.14Å; Y462-K466 PolarHBondContact O-N 2.98Å; Y462-A494 HydrophobicContact CD1-CB 4.2Å; Y462-A494 HydrophobicContact CD2-CB 4.36Å; Y462-A494 HydrophobicContact CE1-CB 4.34Å; Y462-A494 HydrophobicContact CE2-CB 4.5Å; Y462-A494 HydrophobicContact CG-CB 4.21Å; Y462-I497 HydrophobicContact CE1-CB 4.47Å; Y462-I497 HydrophobicContact CE1-CG2 4.04Å; Y462-M498 HydrophobicContact CD1-CG 3.78Å; Y462-M498 HydrophobicContact CD1-SD 3.74Å; Y462-M498 HydrophobicContact CE1-CG 4.28Å; Y462-M498 HydrophobicContact CG-SD 4.36Å |
| 463 | E | 97.2 | Very high | 97 | Very high | 96 Ų | 96 | 75 Ų | 75 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.9 | -40.6 | 177.2 | -71.7 | 166 | 178.2 | 0 | 0 | 111.9 | R459 N465 K466 | R459-E463 WeakPolarHBondContact O-CG 3.49Å; R459-E463 PolarHBondContact O-N 3.13Å; E463-N465 PolarHBondContact O-N 2.93Å; E463-N465 VanDerWaalsContact O-N 3.14Å; E463-K466 PolarHBondContact O-N 2.91Å |
| 464 | A | 96.5 | Very high | 97.1 | Very high | 43 Ų | 43 | 72 Ų | 72 | 36% | 0.355 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -20.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E460 Y462 I491 | E460-A464 VanDerWaalsContact O-CB 3.29Å; E460-A464 WeakPolarHBondContact O-CB 3.49Å; E460-A464 PolarHBondContact O-N 3.15Å; Y462-A464 VanDerWaalsContact C-N 3.29Å; Y462-A464 PolarHBondContact O-N 3.15Å; A464-I491 HydrophobicContact CB-CD1 3.96Å; A464-I491 HydrophobicContact CB-CG1 4.04Å; A464-I491 HydrophobicContact CB-CG2 4.13Å |
| 465 | N | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -0.7 | -179.2 | -65.3 | -62.4 | 0 | 0 | 0 | 113.4 | D461 Y462 E463 L474 M475 I491 F495 M498 | D461-N465 PolarHBondContact O-ND2 3.25Å; Y462-N465 PolarHBondContact O-N 3.47Å; Y462-N465 VanDerWaalsContact O-N 3.14Å; E463-N465 PolarHBondContact O-N 2.93Å; E463-N465 VanDerWaalsContact O-N 3.14Å; N465-L474 CarbonylContact O-C 3.53Å; N465-L474 WeakPolarHBondContact O-CA 3.41Å; N465-L474 WeakPolarHBondContact O-CB 3.48Å; N465-L474 WeakPolarHBondContact O-CD2 3.39Å; N465-M475 PolarHBondContact O-N 3.12Å; N465-M475 PolarHBondContact OD1-O 3Å; N465-I491 PolarHBondContact ND2-O 3.38Å; N465-F495 PolarHBondContact ND2-N 3.26Å; N465-M498 HydrophobicContact CB-SD 3.88Å |
| 466 | K | 97.5 | Very high | 97 | Very high | 116 Ų | 116 | 68.4 Ų | 68.4 | 50% | 0.504 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -67.1 | 142.4 | 176.8 | -71.7 | 179.7 | 179.7 | 174 | 0 | 110.5 | Y462 E463 M475 M498 | Y462-K466 PolarHBondContact O-N 2.98Å; E463-K466 PolarHBondContact O-N 2.91Å; K466-M475 VanDerWaalsContact O-CG 3.25Å; K466-M475 WeakPolarHBondContact O-CG 3.4Å; K466-M498 HydrophobicContact CG-CE 4.14Å |
| 467 | G | 96.8 | Very high | 96.9 | Very high | 28 Ų | 28 | 62.7 Ų | 62.7 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | trans | -54 | 146.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D473 | G467-D473 PolarHBondContact N-O 3.35Š| ||
| 468 | Q | 94.7 | Very high | 96.5 | Very high | 157 Ų | 157 | 64.9 Ų | 64.9 | 73% | 0.734 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -107.5 | -4.7 | -176.6 | -64.2 | -178.7 | 3.2 | 0 | 0 | 112.1 | E472 M475 | Q468-E472 PolarHBondContact N-OE1 3.19Å; Q468-M475 HydrophobicContact CG-CE 4.48Å; Q468-M475 HydrophobicContact CG-CG 3.95Å; Q468-M475 HydrophobicContact CG-SD 4.28Å |
| 469 | S | 95.1 | Very high | 96 | Very high | 49 Ų | 49 | 64.6 Ų | 64.6 | 34% | 0.343 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -146 | 178.3 | 178.7 | 74.2 | 0 | 0 | 0 | 0 | 111.2 | Y471 E472 | S469-Y471 PolarHBondContact O-N 3.21Å; S469-Y471 VanDerWaalsContact OG-CD2 3.26Å; S469-Y471 WeakPolarHBondContact OG-CD2 3.23Å; S469-Y471 PolarHBondContact OG-N 3.23Å; S469-E472 PolarHBondContact N-OE1 3.37Å; S469-E472 PolarHBondContact OG-OE1 3.39Å; S469-E472 PolarHBondContact OG-OE2 3.18Å |
| 470 | E | 96.3 | Very high | 95.5 | Very high | 154 Ų | 154 | 59.8 Ų | 59.8 | 72% | 0.72 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -71.6 | -13.7 | 175.6 | 66.1 | -174.7 | 120.9 | 0 | 0 | 114.1 | R372 | R372-E470 VanDerWaalsContact CZ-O 3.25Å; R372-E470 PolarHBondContact NH1-O 3.13Å; R372-E470 PolarHBondContact NH2-O 2.78Å |
| 471 | Y | 96.4 | Very high | 95 | Very high | 140 Ų | 140 | 59 Ų | 59 | 55% | 0.549 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -81.1 | -27.9 | -172.9 | -52.8 | -64.4 | 0 | 0 | 0 | 113.6 | I364 R372 S469 | I364-Y471 VanDerWaalsContact CD1-CB 3.47Å; R372-Y471 VanDerWaalsContact CZ-O 3.23Å; R372-Y471 PolarHBondContact NE-O 3.37Å; R372-Y471 PolarHBondContact NH1-O 2.88Å; S469-Y471 PolarHBondContact O-N 3.21Å; S469-Y471 VanDerWaalsContact OG-CD2 3.26Å; S469-Y471 WeakPolarHBondContact OG-CD2 3.23Å; S469-Y471 PolarHBondContact OG-N 3.23Å |
| 472 | E | 97.6 | Very high | 94.5 | Very high | 6 Ų | 6 | 60.4 Ų | 60.4 | 3% | 0.028 | 31% | 0.314 | C | S | . | . | trans | -127.1 | 152.3 | -179.8 | 71.7 | -73.4 | 154.8 | 0 | 0 | 111.6 | I364 R374 Q468 S469 M475 | I364-E472 HydrophobicContact CG2-CB 4.48Å; R374-E472 HydrophobicContact CB-CB 3.98Å; R374-E472 HydrophobicContact CB-CG 3.82Å; R374-E472 IonicContact CZ-OE2 3.33Å; R374-E472 VanDerWaalsContact CZ-OE2 3.24Å; R374-E472 IonicContact NE-OE2 3.84Å; R374-E472 PolarHBondContact NE-OE2 3.17Å; R374-E472 IonicContact NH2-OE2 3.18Å; R374-E472 PolarHBondContact NH2-OE2 3.17Å; Q468-E472 PolarHBondContact N-OE1 3.19Å; S469-E472 PolarHBondContact N-OE1 3.37Å; S469-E472 PolarHBondContact OG-OE1 3.39Å; S469-E472 PolarHBondContact OG-OE2 3.18Å; E472-M475 HydrophobicContact CG-SD 4.08Å | ||
| 473 | D | 98.2 | Very high | 94.2 | Very high | 54 Ų | 54 | 60.7 Ų | 60.7 | 29% | 0.289 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -90.7 | -29.6 | 172.5 | -49.4 | -39.4 | 0 | 0 | 0 | 110.7 | K371 R372 G467 | K371-D473 WeakPolarHBondContact CA-OD2 3.47Å; K371-D473 HydrophobicContact CD-CB 3.95Å; R372-D473 IonicContact CZ-OD1 3.88Å; R372-D473 PolarHBondContact N-OD2 3.42Å; R372-D473 IonicContact NE-OD1 2.65Å; R372-D473 PolarHBondContact NE-OD1 3.01Å; R372-D473 IonicContact NE-OD2 3.97Å; R372-D473 IonicContact NH2-OD1 2.92Å; R372-D473 PolarHBondContact NH2-OD1 2.84Å; R372-D473 PolarHBondContact O-N 3.48Å; G467-D473 PolarHBondContact N-O 3.35Å |
| 474 | L | 98.3 | Very high | 94 | Very high | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 146.5 | -175.6 | -57.3 | 174.9 | 0 | 0 | 0 | 112.3 | K371 R372 I373 R374 N465 M498 | K371-L474 HydrophobicContact CB-CD1 4.24Å; K371-L474 HydrophobicContact CG-CD1 4.3Å; R372-L474 PolarHBondContact O-N 3Å; R372-L474 VanDerWaalsContact O-N 3.11Å; I373-L474 WeakPolarHBondContact CA-O 3.33Å; I373-L474 HydrophobicContact CG1-CB 4.3Å; I373-L474 HydrophobicContact CG1-CD1 4.4Å; R374-L474 PolarHBondContact N-O 2.99Å; N465-L474 CarbonylContact O-C 3.53Å; N465-L474 WeakPolarHBondContact O-CA 3.41Å; N465-L474 WeakPolarHBondContact O-CB 3.48Å; N465-L474 WeakPolarHBondContact O-CD2 3.39Å; L474-M498 HydrophobicContact CD1-CB 3.96Å; L474-M498 HydrophobicContact CD2-CB 3.88Å; L474-M498 HydrophobicContact CD2-CE 3.45Å; L474-M498 VanDerWaalsContact CD2-CE 3.45Å; L474-M498 HydrophobicContact CD2-SD 4.25Å |
| 475 | M | 97.8 | Very high | 93.8 | Very high | 15 Ų | 15 | 62.8 Ų | 62.8 | 7% | 0.074 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 130.4 | 163.8 | -62.1 | -63.1 | -79.5 | 0 | 0 | 109 | R374 V376 N465 K466 Q468 E472 | R374-M475 HydrophobicContact CB-SD 3.92Å; R374-M475 HydrophobicContact CG-SD 4.28Å; V376-M475 HydrophobicContact CG2-CE 3.5Å; V376-M475 VanDerWaalsContact CG2-CE 3.5Å; V376-M475 HydrophobicContact CG2-SD 4.45Å; N465-M475 PolarHBondContact O-N 3.12Å; N465-M475 PolarHBondContact OD1-O 3Å; K466-M475 VanDerWaalsContact O-CG 3.25Å; K466-M475 WeakPolarHBondContact O-CG 3.4Å; Q468-M475 HydrophobicContact CG-CE 4.48Å; Q468-M475 HydrophobicContact CG-CG 3.95Å; Q468-M475 HydrophobicContact CG-SD 4.28Å; E472-M475 HydrophobicContact CG-SD 4.08Å |
| 476 | Q | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -64.1 | -42.7 | 178.7 | -179.4 | -154.1 | 13.8 | 0 | 0 | 112.8 | I373 R374 I375 V376 N377 A380 R383 T384 F495 | I373-Q476 HydrophobicContact CG2-CB 4.06Å; R374-Q476 VanDerWaalsContact O-CB 3.28Å; R374-Q476 WeakPolarHBondContact O-CB 3.37Å; R374-Q476 PolarHBondContact O-N 3.44Å; R374-Q476 VanDerWaalsContact O-N 3.08Å; I375-Q476 HydrophobicContact CD1-CB 4.31Å; I375-Q476 HydrophobicContact CD1-CG 4.24Å; V376-Q476 VanDerWaalsContact N-OE1 3.09Å; N377-Q476 PolarHBondContact O-NE2 3.34Å; N377-Q476 VanDerWaalsContact O-NE2 3.1Å; N377-Q476 PolarHBondContact O-OE1 3.16Å; N377-Q476 VanDerWaalsContact O-OE1 3.09Å; A380-Q476 VanDerWaalsContact C-NE2 3.26Å; A380-Q476 HydrophobicContact CB-CG 4.43Å; A380-Q476 PolarHBondContact O-NE2 3Å; R383-Q476 WeakPolarHBondContact CD-O 3.26Å; R383-Q476 PolarHBondContact NH1-O 3.31Å; T384-Q476 PolarHBondContact OG1-NE2 3.48Å; Q476-F495 HydrophobicContact CB-CE2 4.32Å; Q476-F495 HydrophobicContact CB-CZ 4.49Å; Q476-F495 HydrophobicContact CG-CZ 4.34Å |
| 477 | S | 94.3 | Very high | 93.4 | Very high | 8 Ų | 8 | 65.9 Ų | 65.9 | 6% | 0.056 | 34% | 0.34 | C | S | . | . | trans | -159.8 | 179.1 | -178.1 | 64.6 | 0 | 0 | 0 | 0 | 109.2 | V376 | V376-S477 WeakPolarHBondContact CG2-O 3.23Š| ||
| 478 | N | 89.2 | Confident | 93.4 | Very high | 67 Ų | 67 | 64.6 Ų | 64.6 | 36% | 0.358 | 33% | 0.327 | S | S | . | . | trans | -84.5 | -174.9 | 157.9 | 64.2 | 24.1 | 0 | 0 | 0 | 109.8 | V376 E480 T485 | V376-N478 WeakPolarHBondContact CG1-O 3.48Å; N478-E480 PolarHBondContact OD1-N 3.43Å; N478-E480 VanDerWaalsContact OD1-N 3.09Å; N478-E480 PolarHBondContact OD1-O 2.9Å; N478-T485 WeakPolarHBondContact ND2-CG2 3.35Å; N478-T485 PolarHBondContact ND2-OG1 2.61Å; N478-T485 PolarHBondContact OD1-OG1 3.26Å; N478-T485 VanDerWaalsContact OD1-OG1 3.11Å | ||
| 479 | T | 86.6 | Confident | 93.5 | Very high | 110 Ų | 110 | 57.6 Ų | 57.6 | 68% | 0.675 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -82.2 | -13.2 | -180 | 50.5 | 0 | 0 | 0 | 0 | 114 | V376 | V376-T479 HydrophobicContact CG1-CG2 3.75Š|
| 480 | E | 87.1 | Confident | 93.6 | Very high | 74 Ų | 74 | 55.4 Ų | 55.4 | 35% | 0.346 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -89.4 | 151 | -176.8 | -69.9 | -67.3 | 150.8 | 0 | 0 | 111 | N478 R484 | N478-E480 PolarHBondContact OD1-N 3.43Å; N478-E480 VanDerWaalsContact OD1-N 3.09Å; N478-E480 PolarHBondContact OD1-O 2.9Å; E480-R484 HydrophobicContact CB-CB 4.25Å; E480-R484 IonicContact OE1-NH1 2.95Å; E480-R484 WeakPolarHBondContact OE2-CD 3.49Å; E480-R484 IonicContact OE2-CZ 2.86Å; E480-R484 IonicContact OE2-NE 3.57Å; E480-R484 IonicContact OE2-NH1 2.74Å; E480-R484 PolarHBondContact OE2-NH1 3.21Å |
| 481 | P | 86.1 | Confident | 93.6 | Very high | 53 Ų | 53 | 49 Ų | 49 | 34% | 0.344 | 25% | 0.249 | S | C | . | . | trans | -61.6 | 153.5 | 170.3 | 29 | -35.5 | 0 | 0 | 0 | 110 | V483 R484 T485 | P481-V483 HydrophobicContact CB-CG2 4.08Å; P481-V483 HydrophobicContact CG-CG2 4.07Å; P481-V483 PolarHBondContact O-N 3.06Å; P481-R484 HydrophobicContact CG-CB 4.23Å; P481-R484 HydrophobicContact CG-CG 4.03Å; P481-R484 PolarHBondContact O-N 3.3Å; P481-T485 PolarHBondContact O-N 2.95Å; P481-T485 PolarHBondContact O-OG1 3.41Å | ||
| 482 | S | 87 | Confident | 93.7 | Very high | 30 Ų | 30 | 42.3 Ų | 42.3 | 21% | 0.21 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -53.8 | -36.1 | -177 | 60 | 0 | 0 | 0 | 0 | 113.1 | G413 H414 R484 T485 | G413-S482 PolarHBondContact N-OG 2.9Å; G413-S482 VanDerWaalsContact N-OG 3.14Å; H414-S482 WeakPolarHBondContact CB-O 3.26Å; S482-R484 PolarHBondContact O-N 2.92Å; S482-T485 PolarHBondContact O-N 2.77Å |
| 483 | V | 90.6 | Very high | 93.7 | Very high | 71 Ų | 71 | 42 Ų | 42 | 43% | 0.43 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -63 | -19.2 | 177.7 | -64.7 | 0 | 0 | 0 | 0 | 114.6 | L417 P481 | L417-V483 HydrophobicContact CD1-CB 3.74Å; L417-V483 HydrophobicContact CD1-CG1 3.86Å; L417-V483 HydrophobicContact CG-CG1 4.47Å; P481-V483 HydrophobicContact CB-CG2 4.08Å; P481-V483 HydrophobicContact CG-CG2 4.07Å; P481-V483 PolarHBondContact O-N 3.06Å |
| 484 | R | 92.5 | Very high | 93.8 | Very high | 173 Ų | 173 | 39.5 Ų | 39.5 | 65% | 0.653 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -106.7 | -0.1 | 175.5 | -63.9 | -170.7 | 74.5 | -154.6 | 7.8 | 113.1 | E480 P481 S482 P486 | E480-R484 HydrophobicContact CB-CB 4.25Å; E480-R484 IonicContact OE1-NH1 2.95Å; E480-R484 WeakPolarHBondContact OE2-CD 3.49Å; E480-R484 IonicContact OE2-CZ 2.86Å; E480-R484 IonicContact OE2-NE 3.57Å; E480-R484 IonicContact OE2-NH1 2.74Å; E480-R484 PolarHBondContact OE2-NH1 3.21Å; P481-R484 HydrophobicContact CG-CB 4.23Å; P481-R484 HydrophobicContact CG-CG 4.03Å; P481-R484 PolarHBondContact O-N 3.3Å; S482-R484 PolarHBondContact O-N 2.92Å; R484-P486 WeakPolarHBondContact O-CD 3.35Å |
| 485 | T | 92.6 | Very high | 93.8 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -94.8 | 117 | 179.8 | -65.9 | 0 | 0 | 0 | 0 | 109.7 | H414 N478 P481 S482 R487 G488 I491 | H414-T485 PolarHBondContact CD2-O 3Å; H414-T485 PolarHBondContact NE2-O 3.07Å; N478-T485 WeakPolarHBondContact ND2-CG2 3.35Å; N478-T485 PolarHBondContact ND2-OG1 2.61Å; N478-T485 PolarHBondContact OD1-OG1 3.26Å; N478-T485 VanDerWaalsContact OD1-OG1 3.11Å; P481-T485 PolarHBondContact O-N 2.95Å; P481-T485 PolarHBondContact O-OG1 3.41Å; S482-T485 PolarHBondContact O-N 2.77Å; T485-R487 PolarHBondContact O-N 3.21Å; T485-G488 VanDerWaalsContact O-CA 3.31Å; T485-G488 WeakPolarHBondContact O-CA 3.35Å; T485-G488 PolarHBondContact O-N 2.83Å; T485-I491 HydrophobicContact CG2-CD1 3.73Å |
| 486 | P | 93 | Very high | 93.8 | Very high | 102 Ų | 102 | 38.6 Ų | 38.6 | 66% | 0.662 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 133.5 | 169.3 | -24.6 | 34.3 | 0 | 0 | 0 | 109.9 | R484 G488 I491 | R484-P486 WeakPolarHBondContact O-CD 3.35Å; P486-G488 PolarHBondContact O-N 3.1Å; P486-I491 VanDerWaalsContact O-CD1 3.32Å; P486-I491 WeakPolarHBondContact O-CD1 3.28Å |
| 487 | R | 95.1 | Very high | 93.9 | Very high | 79 Ų | 79 | 38.7 Ų | 38.7 | 30% | 0.298 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 30.2 | -177.1 | -51.5 | -172.6 | 59.6 | 68.8 | 8.9 | 113.3 | R456 R458 D461 T485 H489 T490 I491 | R456-R487 PolarHBondContact O-NH2 3.25Å; R458-R487 VanDerWaalsContact CG-NH2 3.34Å; D461-R487 IonicContact OD1-CZ 3.67Å; D461-R487 IonicContact OD1-NE 2.74Å; D461-R487 PolarHBondContact OD1-NE 3.47Å; D461-R487 IonicContact OD1-NH2 3.24Å; D461-R487 PolarHBondContact OD1-NH2 3.31Å; D461-R487 IonicContact OD2-CZ 2.73Å; D461-R487 IonicContact OD2-NE 3.64Å; D461-R487 PolarHBondContact OD2-NE 3.34Å; D461-R487 IonicContact OD2-NH2 3.44Å; D461-R487 PolarHBondContact OD2-NH2 2.65Å; T485-R487 PolarHBondContact O-N 3.21Å; R487-H489 PolarHBondContact O-N 2.98Å; R487-T490 WeakPolarHBondContact CB-OG1 3.37Å; R487-T490 PolarHBondContact NH2-OG1 2.93Å; R487-T490 PolarHBondContact O-N 3.01Å; R487-T490 PolarHBondContact O-OG1 3.2Å; R487-T490 VanDerWaalsContact O-OG1 3.13Å; R487-I491 HydrophobicContact CB-CD1 4.24Å; R487-I491 HydrophobicContact CB-CG1 4.28Å; R487-I491 PolarHBondContact O-N 2.99Å; R487-I491 VanDerWaalsContact O-N 3.08Å |
| 488 | G | 95.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -20.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | T412 H414 T485 P486 P492 | T412-G488 WeakPolarHBondContact CG2-O 3.28Å; H414-G488 PolarHBondContact CD2-N 3.04Å; H414-G488 VanDerWaalsContact CD2-N 3.26Å; H414-G488 PolarHBondContact NE2-N 2.83Å; T485-G488 VanDerWaalsContact O-CA 3.31Å; T485-G488 WeakPolarHBondContact O-CA 3.35Å; T485-G488 PolarHBondContact O-N 2.83Å; P486-G488 PolarHBondContact O-N 3.1Å; G488-P492 WeakPolarHBondContact O-CD 3.44Å; G488-P492 WeakPolarHBondContact O-CG 3.35Å |
| 489 | H | 96.1 | Very high | 94.5 | Very high | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.046 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -20.9 | 176.5 | 66.5 | -85.7 | 0 | 0 | 0 | 114.1 | T412 H414 A415 S455 R487 | T412-H489 WeakPolarHBondContact OG1-CA 3.47Å; T412-H489 WeakPolarHBondContact OG1-CB 3.44Å; H414-H489 AromaticContact CE1-CE1 3.87Å; H414-H489 AromaticContact CE1-ND1 3.43Å; H414-H489 PolarHBondContact CE1-ND1 3.46Å; H414-H489 AromaticContact CG-ND1 3.97Å; H414-H489 AromaticContact ND1-CE1 3.77Å; H414-H489 AromaticContact ND1-ND1 2.96Å; H414-H489 PolarHBondContact ND1-ND1 3.35Å; A415-H489 HydrophobicContact CB-CB 4.01Å; S455-H489 WeakPolarHBondContact CB-NE2 3.49Å; S455-H489 PolarHBondContact OG-NE2 3.21Å; R487-H489 PolarHBondContact O-N 2.98Å |
| 490 | T | 97.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -89.9 | -33.7 | 177.1 | 50.9 | 0 | 0 | 0 | 0 | 113 | V427 D461 R487 A493 A494 | V427-T490 HydrophobicContact CG1-CG2 4.19Å; V427-T490 HydrophobicContact CG2-CG2 4.1Å; D461-T490 WeakPolarHBondContact OD1-CB 3.45Å; D461-T490 PolarHBondContact OD1-OG1 3.07Å; D461-T490 PolarHBondContact OD2-OG1 3.06Å; R487-T490 WeakPolarHBondContact CB-OG1 3.37Å; R487-T490 PolarHBondContact NH2-OG1 2.93Å; R487-T490 PolarHBondContact O-N 3.01Å; R487-T490 PolarHBondContact O-OG1 3.2Å; R487-T490 VanDerWaalsContact O-OG1 3.13Å; T490-A493 WeakPolarHBondContact O-CB 3.11Å; T490-A493 PolarHBondContact O-N 3.39Å; T490-A493 VanDerWaalsContact O-N 3.1Å; T490-A494 PolarHBondContact O-N 3.09Å |
| 491 | I | 97.8 | Very high | 95.6 | Very high | 20 Ų | 20 | 27.3 Ų | 27.3 | 10% | 0.103 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -53.8 | -49 | 171.7 | -69.3 | 167.7 | 0 | 0 | 0 | 112.2 | D461 A464 N465 T485 P486 R487 A493 A494 F495 | D461-I491 HydrophobicContact CB-CG1 4.4Å; A464-I491 HydrophobicContact CB-CD1 3.96Å; A464-I491 HydrophobicContact CB-CG1 4.04Å; A464-I491 HydrophobicContact CB-CG2 4.13Å; N465-I491 PolarHBondContact ND2-O 3.38Å; T485-I491 HydrophobicContact CG2-CD1 3.73Å; P486-I491 VanDerWaalsContact O-CD1 3.32Å; P486-I491 WeakPolarHBondContact O-CD1 3.28Å; R487-I491 HydrophobicContact CB-CD1 4.24Å; R487-I491 HydrophobicContact CB-CG1 4.28Å; R487-I491 PolarHBondContact O-N 2.99Å; R487-I491 VanDerWaalsContact O-N 3.08Å; I491-A493 VanDerWaalsContact C-N 3.28Å; I491-A493 PolarHBondContact O-N 3.26Å; I491-A494 PolarHBondContact O-N 2.96Å; I491-F495 PolarHBondContact O-N 2.98Å |
| 492 | P | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.8 | -36 | 174.4 | -9.7 | 9.8 | 0 | 0 | 0 | 113.9 | R383 L411 T412 G488 F495 L496 | R383-P492 VanDerWaalsContact CZ-CB 3.47Å; L411-P492 HydrophobicContact CD2-CB 3.41Å; L411-P492 VanDerWaalsContact CD2-CB 3.41Å; L411-P492 HydrophobicContact CD2-CG 4.21Å; L411-P492 HydrophobicContact CG-CB 4.15Å; T412-P492 HydrophobicContact CG2-CB 4.5Å; T412-P492 HydrophobicContact CG2-CG 3.54Å; G488-P492 WeakPolarHBondContact O-CD 3.44Å; G488-P492 WeakPolarHBondContact O-CG 3.35Å; P492-F495 WeakPolarHBondContact O-CB 3.49Å; P492-F495 PolarHBondContact O-N 2.7Å; P492-L496 WeakPolarHBondContact O-CG 3.29Å; P492-L496 PolarHBondContact O-N 3.03Å |
| 493 | A | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67 | -40.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V427 L457 T490 I491 L496 I497 H517 | V427-A493 HydrophobicContact CB-CB 4.07Å; V427-A493 HydrophobicContact CG1-CB 3.75Å; L457-A493 HydrophobicContact CD2-CB 4.16Å; T490-A493 WeakPolarHBondContact O-CB 3.11Å; T490-A493 PolarHBondContact O-N 3.39Å; T490-A493 VanDerWaalsContact O-N 3.1Å; I491-A493 VanDerWaalsContact C-N 3.28Å; I491-A493 PolarHBondContact O-N 3.26Å; A493-L496 PolarHBondContact O-N 3.47Å; A493-I497 WeakPolarHBondContact O-CG1 3.47Å; A493-I497 PolarHBondContact O-N 3.32Å; A493-I497 VanDerWaalsContact O-N 3.15Å; A493-H517 HydrophobicContact CB-CB 3.86Å |
| 494 | A | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.7 | -40.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | L457 D461 Y462 T490 I491 L496 I497 M498 | L457-A494 HydrophobicContact CD2-CB 4.17Å; D461-A494 HydrophobicContact CB-CB 3.69Å; D461-A494 WeakPolarHBondContact O-CB 3.49Å; Y462-A494 HydrophobicContact CD1-CB 4.2Å; Y462-A494 HydrophobicContact CD2-CB 4.36Å; Y462-A494 HydrophobicContact CE1-CB 4.34Å; Y462-A494 HydrophobicContact CE2-CB 4.5Å; Y462-A494 HydrophobicContact CG-CB 4.21Å; T490-A494 PolarHBondContact O-N 3.09Å; I491-A494 PolarHBondContact O-N 2.96Å; A494-L496 VanDerWaalsContact C-N 3.35Å; A494-L496 PolarHBondContact O-N 2.89Å; A494-I497 WeakPolarHBondContact O-CB 3.36Å; A494-I497 PolarHBondContact O-N 2.86Å; A494-I497 VanDerWaalsContact O-N 3.15Å; A494-M498 WeakPolarHBondContact O-CG 3.46Å; A494-M498 PolarHBondContact O-N 3.14Å |
| 495 | F | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.9 | -46.8 | 173.6 | 173.7 | -96.3 | 0 | 0 | 0 | 111.9 | I373 R383 V387 N465 Q476 I491 P492 I497 M498 G499 | I373-F495 HydrophobicContact CD1-CE2 4.3Å; I373-F495 HydrophobicContact CD1-CZ 3.97Å; I373-F495 HydrophobicContact CG2-CE2 3.83Å; I373-F495 HydrophobicContact CG2-CZ 3.92Å; R383-F495 HydrophobicContact CB-CD1 3.81Å; R383-F495 HydrophobicContact CB-CE1 4.07Å; R383-F495 VanDerWaalsContact CD-CD1 3.43Å; R383-F495 HydrophobicContact CG-CD1 3.56Å; R383-F495 HydrophobicContact CG-CE1 3.6Å; R383-F495 HydrophobicContact CG-CG 4.48Å; V387-F495 HydrophobicContact CG2-CD1 4.2Å; V387-F495 HydrophobicContact CG2-CE1 3.53Å; V387-F495 HydrophobicContact CG2-CZ 4.14Å; N465-F495 PolarHBondContact ND2-N 3.26Å; Q476-F495 HydrophobicContact CB-CE2 4.32Å; Q476-F495 HydrophobicContact CB-CZ 4.49Å; Q476-F495 HydrophobicContact CG-CZ 4.34Å; I491-F495 PolarHBondContact O-N 2.98Å; P492-F495 WeakPolarHBondContact O-CB 3.49Å; P492-F495 PolarHBondContact O-N 2.7Å; F495-I497 VanDerWaalsContact C-N 3.29Å; F495-I497 PolarHBondContact O-N 3.45Å; F495-M498 PolarHBondContact O-N 3.43Å; F495-G499 PolarHBondContact O-N 2.96Å |
| 496 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.2 | -39.5 | 176.9 | -72 | 167.8 | 0 | 0 | 0 | 111.9 | R383 M386 V387 L390 T407 L411 P492 A493 A494 S500 Y515 | R383-L496 HydrophobicContact CB-CD2 4.24Å; R383-L496 HydrophobicContact CB-CG 4.35Å; R383-L496 VanDerWaalsContact O-CD2 3.3Å; R383-L496 WeakPolarHBondContact O-CD2 3.39Å; M386-L496 HydrophobicContact CB-CD2 3.81Å; M386-L496 HydrophobicContact CE-CD1 3.85Å; M386-L496 HydrophobicContact CE-CD2 4.22Å; V387-L496 HydrophobicContact CG2-CD2 4.07Å; L390-L496 HydrophobicContact CD2-CB 4.01Å; L390-L496 HydrophobicContact CD2-CD2 4.49Å; T407-L496 HydrophobicContact CG2-CD1 4.43Å; L411-L496 HydrophobicContact CD2-CD1 4.38Å; P492-L496 WeakPolarHBondContact O-CG 3.29Å; P492-L496 PolarHBondContact O-N 3.03Å; A493-L496 PolarHBondContact O-N 3.47Å; A494-L496 VanDerWaalsContact C-N 3.35Å; A494-L496 PolarHBondContact O-N 2.89Å; L496-S500 VanDerWaalsContact O-CB 3.26Å; L496-S500 WeakPolarHBondContact O-CB 3.46Å; L496-S500 PolarHBondContact O-N 3.43Å; L496-S500 VanDerWaalsContact O-N 3.13Å; L496-S500 PolarHBondContact O-OG 3.31Å; L496-Y515 WeakPolarHBondContact CB-OH 3.36Å; L496-Y515 WeakPolarHBondContact CD1-OH 3.34Å |
| 497 | I | 98.7 | Very high | 97.5 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.015 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.6 | -50.2 | 176.9 | -68.4 | 165.7 | 0 | 0 | 0 | 110.6 | N429 L457 Y462 A493 A494 F495 S500 G501 L502 D503 Y515 | N429-I497 HydrophobicContact CB-CD1 4.01Å; L457-I497 HydrophobicContact CD1-CD1 3.45Å; L457-I497 VanDerWaalsContact CD1-CD1 3.45Å; Y462-I497 HydrophobicContact CE1-CB 4.47Å; Y462-I497 HydrophobicContact CE1-CG2 4.04Å; A493-I497 WeakPolarHBondContact O-CG1 3.47Å; A493-I497 PolarHBondContact O-N 3.32Å; A493-I497 VanDerWaalsContact O-N 3.15Å; A494-I497 WeakPolarHBondContact O-CB 3.36Å; A494-I497 PolarHBondContact O-N 2.86Å; A494-I497 VanDerWaalsContact O-N 3.15Å; F495-I497 VanDerWaalsContact C-N 3.29Å; F495-I497 PolarHBondContact O-N 3.45Å; I497-S500 PolarHBondContact O-OG 3.38Å; I497-G501 PolarHBondContact O-N 2.78Å; I497-L502 HydrophobicContact CB-CB 4.42Å; I497-L502 HydrophobicContact CG2-CB 3.98Å; I497-L502 PolarHBondContact O-N 3.28Å; I497-D503 HydrophobicContact CG2-CB 4.03Å; I497-D503 PolarHBondContact O-N 2.9Å; I497-Y515 HydrophobicContact CD1-CD1 3.86Å; I497-Y515 HydrophobicContact CD1-CE1 3.98Å; I497-Y515 HydrophobicContact CG1-CD1 3.57Å; I497-Y515 HydrophobicContact CG1-CE1 3.53Å |
| 498 | M | 98.5 | Very high | 97.5 | Very high | 18 Ų | 18 | 24.7 Ų | 24.7 | 9% | 0.089 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.1 | -43.3 | -177.5 | -63.8 | 169.4 | 80.1 | 0 | 0 | 112.3 | Y462 N465 K466 L474 A494 F495 G501 | Y462-M498 HydrophobicContact CD1-CG 3.78Å; Y462-M498 HydrophobicContact CD1-SD 3.74Å; Y462-M498 HydrophobicContact CE1-CG 4.28Å; Y462-M498 HydrophobicContact CG-SD 4.36Å; N465-M498 HydrophobicContact CB-SD 3.88Å; K466-M498 HydrophobicContact CG-CE 4.14Å; L474-M498 HydrophobicContact CD1-CB 3.96Å; L474-M498 HydrophobicContact CD2-CB 3.88Å; L474-M498 HydrophobicContact CD2-CE 3.45Å; L474-M498 VanDerWaalsContact CD2-CE 3.45Å; L474-M498 HydrophobicContact CD2-SD 4.25Å; A494-M498 WeakPolarHBondContact O-CG 3.46Å; A494-M498 PolarHBondContact O-N 3.14Å; F495-M498 PolarHBondContact O-N 3.43Å; M498-G501 PolarHBondContact O-N 3.33Å |
| 499 | G | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.7 | -35.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | S369 V387 F495 | S369-G499 WeakPolarHBondContact CB-O 3.48Å; S369-G499 PolarHBondContact OG-O 3Å; V387-G499 WeakPolarHBondContact CG1-O 3.42Å; F495-G499 PolarHBondContact O-N 2.96Å |
| 500 | S | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -83.8 | -11.2 | 176.7 | 64.5 | 0 | 0 | 0 | 0 | 113.9 | R394 L496 I497 L502 | R394-S500 PolarHBondContact NE-O 3.37Å; R394-S500 PolarHBondContact NH1-O 2.99Å; L496-S500 VanDerWaalsContact O-CB 3.26Å; L496-S500 WeakPolarHBondContact O-CB 3.46Å; L496-S500 PolarHBondContact O-N 3.43Å; L496-S500 VanDerWaalsContact O-N 3.13Å; L496-S500 PolarHBondContact O-OG 3.31Å; I497-S500 PolarHBondContact O-OG 3.38Å; S500-L502 WeakPolarHBondContact OG-CD1 3.46Å |
| 501 | G | 97.9 | Very high | 97.2 | Very high | 2 Ų | 2 | 39 Ų | 39 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 18.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | I497 M498 D503 K504 | I497-G501 PolarHBondContact O-N 2.78Å; M498-G501 PolarHBondContact O-N 3.33Å; G501-D503 WeakPolarHBondContact CA-OD1 3.06Å; G501-K504 PolarHBondContact O-N 2.93Å |
| 502 | L | 98 | Very high | 97.2 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -71.9 | -19 | 173.1 | -85.3 | 168.2 | 0 | 0 | 0 | 112.8 | L390 R394 L405 I497 S500 K504 H505 I513 Y515 | L390-L502 HydrophobicContact CD1-CD1 4.01Å; L390-L502 HydrophobicContact CD2-CD1 3.91Å; L390-L502 HydrophobicContact CG-CD1 3.94Å; R394-L502 HydrophobicContact CB-CD2 4.03Å; R394-L502 HydrophobicContact CB-CG 4.2Å; R394-L502 HydrophobicContact CG-CD2 3.85Å; R394-L502 HydrophobicContact CG-CG 4.18Å; L405-L502 HydrophobicContact CD2-CD1 4.35Å; L405-L502 HydrophobicContact CD2-CD2 4.11Å; I497-L502 HydrophobicContact CB-CB 4.42Å; I497-L502 HydrophobicContact CG2-CB 3.98Å; I497-L502 PolarHBondContact O-N 3.28Å; S500-L502 WeakPolarHBondContact OG-CD1 3.46Å; L502-K504 PolarHBondContact O-N 3.3Å; L502-H505 WeakPolarHBondContact O-CA 3.3Å; L502-H505 PolarHBondContact O-N 3.33Å; L502-I513 HydrophobicContact CD2-CB 4.17Å; L502-I513 HydrophobicContact CD2-CD1 4.45Å; L502-I513 HydrophobicContact CD2-CG2 3.96Å; L502-Y515 HydrophobicContact CD1-CD1 4.41Å; L502-Y515 HydrophobicContact CD1-CD2 3.8Å; L502-Y515 HydrophobicContact CD1-CE2 4.23Å; L502-Y515 HydrophobicContact CD1-CG 3.88Å |
| 503 | D | 96.9 | Very high | 97.2 | Very high | 66 Ų | 66 | 41.3 Ų | 41.3 | 35% | 0.353 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -57 | -27.9 | 170.9 | 60.3 | -32.4 | 0 | 0 | 0 | 112.5 | I497 G501 H505 | I497-D503 HydrophobicContact CG2-CB 4.03Å; I497-D503 PolarHBondContact O-N 2.9Å; G501-D503 WeakPolarHBondContact CA-OD1 3.06Å; D503-H505 PolarHBondContact O-N 3.1Å |
| 504 | K | 96.7 | Very high | 97.2 | Very high | 139 Ų | 139 | 42 Ų | 42 | 60% | 0.604 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -75.8 | -5.7 | 173.5 | -57.5 | -179.4 | -177.4 | 179.1 | 0 | 114.3 | G501 L502 S509 | G501-K504 PolarHBondContact O-N 2.93Å; L502-K504 PolarHBondContact O-N 3.3Å; K504-S509 VanDerWaalsContact O-CB 3.28Å; K504-S509 WeakPolarHBondContact O-CB 3.13Å |
| 505 | H | 97.8 | Very high | 97.3 | Very high | 25 Ų | 25 | 42 Ų | 42 | 12% | 0.116 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -119.2 | 34.7 | -176.5 | -67.8 | -82.6 | 0 | 0 | 0 | 112 | P431 L502 D503 S509 K511 P512 I513 | P431-H505 WeakPolarHBondContact CG-O 3.3Å; L502-H505 WeakPolarHBondContact O-CA 3.3Å; L502-H505 PolarHBondContact O-N 3.33Å; D503-H505 PolarHBondContact O-N 3.1Å; H505-S509 VanDerWaalsContact C-OG 3.29Å; H505-S509 WeakPolarHBondContact CA-OG 3.36Å; H505-K511 PolarHBondContact ND1-O 2.66Å; H505-P512 WeakPolarHBondContact O-CA 3.44Å; H505-I513 HydrophobicContact CB-CB 3.93Å; H505-I513 HydrophobicContact CB-CD1 3.9Å; H505-I513 HydrophobicContact CB-CG1 3.88Å; H505-I513 PolarHBondContact O-N 3.19Å; H505-I513 VanDerWaalsContact O-N 3.07Å |
| 506 | G | 96.6 | Very high | 97.3 | Very high | 15 Ų | 15 | 42.1 Ų | 42.1 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -70.4 | -173.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | D508 S509 P512 | G506-D508 PolarHBondContact O-N 2.88Å; G506-S509 PolarHBondContact O-N 3.22Å; G506-S509 PolarHBondContact O-OG 3.08Å; G506-P512 WeakPolarHBondContact O-CB 3.49Å |
| 507 | C | 95.8 | Very high | 97.3 | Very high | 65 Ų | 65 | 42.1 Ų | 42.1 | 44% | 0.439 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24.9 | -177.2 | -73 | 0 | 0 | 0 | 0 | 114.5 | G430 | G430-C507 VanDerWaalsContact CA-SG 3.6Š|
| 508 | D | 94.2 | Very high | 97.3 | Very high | 152 Ų | 152 | 42 Ų | 42 | 81% | 0.813 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -0.7 | -177.3 | 59.9 | -27 | 0 | 0 | 0 | 113.1 | G506 | G506-D508 PolarHBondContact O-N 2.88Š|
| 509 | S | 95.9 | Very high | 97.2 | Very high | 26 Ų | 26 | 41.2 Ų | 41.2 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -78.3 | 155.1 | 176.3 | 71 | 0 | 0 | 0 | 0 | 112.3 | K504 H505 G506 K511 P512 | K504-S509 VanDerWaalsContact O-CB 3.28Å; K504-S509 WeakPolarHBondContact O-CB 3.13Å; H505-S509 VanDerWaalsContact C-OG 3.29Å; H505-S509 WeakPolarHBondContact CA-OG 3.36Å; G506-S509 PolarHBondContact O-N 3.22Å; G506-S509 PolarHBondContact O-OG 3.08Å; S509-K511 PolarHBondContact O-N 3.13Å; S509-K511 VanDerWaalsContact OG-C 3.22Å; S509-K511 PolarHBondContact OG-O 3.43Å; S509-P512 VanDerWaalsContact O-CD 3.28Å; S509-P512 WeakPolarHBondContact O-CD 3.05Å; S509-P512 WeakPolarHBondContact O-CG 3.38Å; S509-P512 WeakPolarHBondContact OG-CA 3.44Å |
| 510 | D | 94 | Very high | 97.1 | Very high | 171 Ų | 171 | 41.2 Ų | 41.2 | 91% | 0.914 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -61.8 | -23.8 | 173.1 | -64.7 | -28.9 | 0 | 0 | 0 | 112.9 | ||
| 511 | K | 94.1 | Very high | 96.8 | Very high | 116 Ų | 116 | 42.9 Ų | 42.9 | 50% | 0.504 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -135.7 | 76.8 | -179.6 | -62.9 | -170.3 | -177.9 | -176.4 | 0 | 110.7 | I398 H505 S509 I513 | I398-K511 HydrophobicContact CG2-CD 3.72Å; H505-K511 PolarHBondContact ND1-O 2.66Å; S509-K511 PolarHBondContact O-N 3.13Å; S509-K511 VanDerWaalsContact OG-C 3.22Å; S509-K511 PolarHBondContact OG-O 3.43Å; K511-I513 PolarHBondContact O-N 3.01Å |
| 512 | P | 97.2 | Very high | 96.2 | Very high | 66 Ų | 66 | 43.1 Ų | 43.1 | 43% | 0.429 | 24% | 0.237 | S | C | . | . | trans | -63 | 133.3 | 177.6 | -22 | 34.9 | 0 | 0 | 0 | 111.1 | P431 H505 G506 S509 | P431-P512 HydrophobicContact CB-CB 4.12Å; P431-P512 HydrophobicContact CG-CB 3.84Å; H505-P512 WeakPolarHBondContact O-CA 3.44Å; G506-P512 WeakPolarHBondContact O-CB 3.49Å; S509-P512 VanDerWaalsContact O-CD 3.28Å; S509-P512 WeakPolarHBondContact O-CD 3.05Å; S509-P512 WeakPolarHBondContact O-CG 3.38Å; S509-P512 WeakPolarHBondContact OG-CA 3.44Å | ||
| 513 | I | 98.4 | Very high | 95.2 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | trans | -115.5 | 125.4 | 177.7 | -63.3 | 172.8 | 0 | 0 | 0 | 108.7 | R394 A397 I398 L405 N429 L502 H505 K511 Y515 | R394-I513 HydrophobicContact CG-CD1 4.06Å; A397-I513 HydrophobicContact CB-CD1 3.95Å; A397-I513 HydrophobicContact CB-CG2 4.41Å; I398-I513 HydrophobicContact CG1-CD1 4.24Å; L405-I513 HydrophobicContact CD1-CG2 3.75Å; L405-I513 HydrophobicContact CD2-CG2 4.3Å; L405-I513 HydrophobicContact CG-CG2 4.49Å; N429-I513 PolarHBondContact ND2-O 3.02Å; L502-I513 HydrophobicContact CD2-CB 4.17Å; L502-I513 HydrophobicContact CD2-CD1 4.45Å; L502-I513 HydrophobicContact CD2-CG2 3.96Å; H505-I513 HydrophobicContact CB-CB 3.93Å; H505-I513 HydrophobicContact CB-CD1 3.9Å; H505-I513 HydrophobicContact CB-CG1 3.88Å; H505-I513 PolarHBondContact O-N 3.19Å; H505-I513 VanDerWaalsContact O-N 3.07Å; K511-I513 PolarHBondContact O-N 3.01Å; I513-Y515 PolarHBondContact O-N 2.6Å | ||
| 514 | K | 98.7 | Very high | 94.7 | Very high | 14 Ų | 14 | 40.3 Ų | 40.3 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 128 | 175 | -60.8 | -178.3 | -58.6 | -178.7 | 0 | 109.1 | N402 H404 L405 P431 A432 N435 E437 | N402-K514 WeakPolarHBondContact OD1-CE 3.31Å; N402-K514 PolarHBondContact OD1-NZ 2.94Å; N402-K514 VanDerWaalsContact OD1-NZ 3.13Å; H404-K514 HydrophobicContact CB-CB 4.27Å; L405-K514 PolarHBondContact N-O 3.44Å; P431-K514 HydrophobicContact CB-CG 4.3Å; A432-K514 HydrophobicContact CB-CB 4.1Å; N435-K514 HydrophobicContact CB-CD 4.01Å; E437-K514 HydrophobicContact CG-CD 3.98Å; E437-K514 WeakPolarHBondContact OE1-CD 3.12Å; E437-K514 IonicContact OE1-NZ 2.68Å; E437-K514 PolarHBondContact OE1-NZ 3.35Å |
| 515 | Y | 98.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 133.5 | 175.6 | 172.8 | -106.6 | 0 | 0 | 0 | 112.1 | L390 L405 T407 C428 N429 A432 L496 I497 L502 I513 H517 | L390-Y515 HydrophobicContact CD1-CD2 4.33Å; L390-Y515 HydrophobicContact CD1-CE2 3.92Å; L390-Y515 HydrophobicContact CD2-CE2 3.92Å; L405-Y515 HydrophobicContact CB-CD2 3.9Å; L405-Y515 CarbonylContact O-C 3.55Å; L405-Y515 VanDerWaalsContact O-CA 3.23Å; L405-Y515 WeakPolarHBondContact O-CA 3.23Å; L405-Y515 WeakPolarHBondContact O-CD2 3.41Å; T407-Y515 HydrophobicContact CG2-CE2 3.86Å; T407-Y515 WeakPolarHBondContact CG2-OH 3.32Å; T407-Y515 PolarHBondContact OG1-OH 3.33Å; C428-Y515 WeakPolarHBondContact CA-O 3.41Å; N429-Y515 HydrophobicContact CB-CD1 4.35Å; N429-Y515 PolarHBondContact N-O 2.73Å; N429-Y515 PolarHBondContact OD1-N 2.89Å; N429-Y515 PolarHBondContact OD1-O 3.42Å; A432-Y515 WeakPolarHBondContact CB-O 3.48Å; L496-Y515 WeakPolarHBondContact CB-OH 3.36Å; L496-Y515 WeakPolarHBondContact CD1-OH 3.34Å; I497-Y515 HydrophobicContact CD1-CD1 3.86Å; I497-Y515 HydrophobicContact CD1-CE1 3.98Å; I497-Y515 HydrophobicContact CG1-CD1 3.57Å; I497-Y515 HydrophobicContact CG1-CE1 3.53Å; L502-Y515 HydrophobicContact CD1-CD1 4.41Å; L502-Y515 HydrophobicContact CD1-CD2 3.8Å; L502-Y515 HydrophobicContact CD1-CE2 4.23Å; L502-Y515 HydrophobicContact CD1-CG 3.88Å; I513-Y515 PolarHBondContact O-N 2.6Å; Y515-H517 HydrophobicContact CE1-CB 4.11Å |
| 516 | T | 98.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 118.4 | 174.4 | -56.9 | 0 | 0 | 0 | 0 | 110.3 | H404 L405 C406 T407 A426 C428 I518 | H404-T516 PolarHBondContact NE2-OG1 2.77Å; L405-T516 PolarHBondContact O-N 2.7Å; C406-T516 WeakPolarHBondContact CA-O 3.44Å; T407-T516 PolarHBondContact N-O 3Å; T407-T516 VanDerWaalsContact N-O 3.11Å; A426-T516 HydrophobicContact CB-CG2 3.85Å; C428-T516 PolarHBondContact SG-OG1 2.87Å; C428-T516 VanDerWaalsContact SG-OG1 3.33Å; T516-I518 HydrophobicContact CG2-CG1 4.22Å |
| 517 | H | 98.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 130.3 | 167.1 | 176.8 | 55.9 | 0 | 0 | 0 | 109.9 | T407 L411 A426 V427 A493 Y515 | T407-H517 WeakPolarHBondContact OG1-CA 3.41Å; T407-H517 PolarHBondContact OG1-ND1 2.86Å; L411-H517 VanDerWaalsContact CD2-CE1 3.46Å; L411-H517 WeakPolarHBondContact CD2-CE1 3.36Å; L411-H517 VanDerWaalsContact CD2-NE2 3.29Å; L411-H517 WeakPolarHBondContact CD2-NE2 3.46Å; A426-H517 CarbonylContact C-O 3.57Å; A426-H517 WeakPolarHBondContact CA-O 3.4Å; V427-H517 HydrophobicContact CB-CB 4.35Å; V427-H517 PolarHBondContact N-O 2.86Å; V427-H517 PolarHBondContact O-N 3.44Å; A493-H517 HydrophobicContact CB-CB 3.86Å; Y515-H517 HydrophobicContact CE1-CB 4.11Å |
| 518 | I | 98.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 105.7 | 173.6 | -54.2 | 175.5 | 0 | 0 | 0 | 108.6 | T407 I408 A409 I425 L441 T516 P535 L539 | T407-I518 PolarHBondContact O-N 3.24Å; I408-I518 HydrophobicContact CG1-CD1 4.41Å; A409-I518 PolarHBondContact N-O 2.87Å; I425-I518 CarbonylContact O-C 3.54Å; I425-I518 WeakPolarHBondContact O-CA 3.29Å; L441-I518 HydrophobicContact CD2-CD1 4.01Å; L441-I518 HydrophobicContact CD2-CG1 4.45Å; T516-I518 HydrophobicContact CG2-CG1 4.22Å; I518-P535 HydrophobicContact CD1-CG 4.41Å; I518-P535 HydrophobicContact CG2-CG 4.25Å; I518-L539 HydrophobicContact CD1-CD2 3.97Å |
| 519 | D | 98.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 109.2 | 170.2 | -165.2 | -18 | 0 | 0 | 0 | 108.8 | A409 L411 T412 A415 S424 I425 A521 | A409-D519 WeakPolarHBondContact O-CA 3.4Å; L411-D519 PolarHBondContact N-OD1 3.5Å; L411-D519 VanDerWaalsContact N-OD1 3.08Å; T412-D519 WeakPolarHBondContact CB-OD2 3.46Å; T412-D519 PolarHBondContact N-OD1 2.94Å; T412-D519 PolarHBondContact N-OD2 3.02Å; T412-D519 VanDerWaalsContact N-OD2 3.12Å; T412-D519 PolarHBondContact OG1-OD2 3.02Å; A415-D519 HydrophobicContact CB-CB 4.12Å; A415-D519 WeakPolarHBondContact CB-OD2 3.39Å; S424-D519 CarbonylContact C-O 3.47Å; S424-D519 WeakPolarHBondContact CA-O 3.34Å; I425-D519 PolarHBondContact N-O 2.77Å; I425-D519 PolarHBondContact O-N 3.42Å; D519-A521 WeakPolarHBondContact OD1-CB 3.1Å; D519-A521 PolarHBondContact OD1-N 3.29Å; D519-A521 VanDerWaalsContact OD1-N 3.16Å |
| 520 | M | 96 | Very high | 92.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -111.4 | 20.5 | -175.5 | 64.6 | 168.7 | -51.1 | 0 | 0 | 112.2 | A325 I408 A409 S424 A522 G523 N524 C534 | A325-M520 HydrophobicContact CB-SD 4.25Å; I408-M520 HydrophobicContact CG2-CG 4.13Å; I408-M520 HydrophobicContact CG2-SD 3.47Å; I408-M520 WeakPolarHBondContact CG2-SD 3.32Å; A409-M520 WeakPolarHBondContact O-CG 3.33Å; A409-M520 PolarHBondContact O-N 3.09Å; S424-M520 WeakPolarHBondContact OG-CB 3.4Å; M520-A522 PolarHBondContact O-N 3.11Å; M520-A522 VanDerWaalsContact O-N 3.15Å; M520-G523 PolarHBondContact O-N 3.31Å; M520-N524 WeakPolarHBondContact CE-ND2 3.43Å; M520-N524 WeakPolarHBondContact CE-OD1 3.44Å; M520-N524 PolarHBondContact O-ND2 3.08Å; M520-C534 VanDerWaalsContact CE-C 3.45Å; M520-C534 HydrophobicContact CE-CB 4.1Å; M520-C534 WeakPolarHBondContact CE-O 3.34Å | ||
| 521 | A | 91.4 | Very high | 92.4 | Very high | 35 Ų | 35 | 32 Ų | 32 | 29% | 0.289 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -39.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T412 D519 | T412-A521 WeakPolarHBondContact O-CB 3.2Å; D519-A521 WeakPolarHBondContact OD1-CB 3.1Å; D519-A521 PolarHBondContact OD1-N 3.29Å; D519-A521 VanDerWaalsContact OD1-N 3.16Å |
| 522 | A | 85.4 | Confident | 92.4 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 7% | 0.066 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -12.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | G416 G420 G422 Y423 M520 N524 | G416-A522 VanDerWaalsContact CA-CB 3.48Å; G420-A522 VanDerWaalsContact O-CB 3.22Å; G420-A522 WeakPolarHBondContact O-CB 3.41Å; G422-A522 PolarHBondContact N-O 2.89Å; Y423-A522 CarbonylContact O-C 3.54Å; M520-A522 PolarHBondContact O-N 3.11Å; M520-A522 VanDerWaalsContact O-N 3.15Å; A522-N524 VanDerWaalsContact C-N 3.32Å |
| 523 | G | 77.9 | Confident | 92.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -84.3 | -0.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | Y423 M520 G525 C534 | Y423-G523 PolarHBondContact O-N 2.89Å; M520-G523 PolarHBondContact O-N 3.31Å; G523-G525 PolarHBondContact O-N 2.89Å; G523-C534 WeakPolarHBondContact O-CB 3.46Å; G523-C534 PolarHBondContact O-SG 2.89Å |
| 524 | N | 85.3 | Confident | 92.2 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -93.4 | 18.4 | -172.9 | -80.3 | -56.1 | 0 | 0 | 0 | 115.4 | R318 C321 T410 M520 A522 P531 | R318-N524 PolarHBondContact NH1-O 2.77Å; C321-N524 VanDerWaalsContact CB-CG 3.5Å; C321-N524 WeakPolarHBondContact CB-ND2 3.39Å; C321-N524 WeakPolarHBondContact CB-OD1 3.44Å; C321-N524 PolarHBondContact SG-OD1 2.97Å; C321-N524 VanDerWaalsContact SG-OD1 3.34Å; T410-N524 WeakPolarHBondContact CG2-ND2 3.41Å; M520-N524 WeakPolarHBondContact CE-ND2 3.43Å; M520-N524 WeakPolarHBondContact CE-OD1 3.44Å; M520-N524 PolarHBondContact O-ND2 3.08Å; A522-N524 VanDerWaalsContact C-N 3.32Å; N524-P531 WeakPolarHBondContact O-CA 3.49Å; N524-P531 VanDerWaalsContact O-CB 3.24Å; N524-P531 WeakPolarHBondContact O-CB 3.39Å |
| 525 | G | 85.2 | Confident | 92.1 | Very high | 16 Ų | 16 | 26.1 Ų | 26.1 | 17% | 0.165 | 15% | 0.152 | C | C | . | . | trans | 70.9 | 175.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G523 W532 | G523-G525 PolarHBondContact O-N 2.89Å; G525-W532 VanDerWaalsContact CA-CE3 3.43Å; G525-W532 VanDerWaalsContact N-CZ3 3.35Å | ||
| 526 | T | 86 | Confident | 92 | Very high | 72 Ų | 72 | 26.1 Ų | 26.1 | 44% | 0.442 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -82.3 | 139.9 | 178.5 | -55.8 | 0 | 0 | 0 | 0 | 109.8 | R318 Q529 | R318-T526 PolarHBondContact NH1-O 3.31Å; T526-Q529 VanDerWaalsContact CG2-OE1 3.26Å; T526-Q529 CarbonylContact O-C 3.14Å; T526-Q529 PolarHBondContact O-N 3.11Å; T526-Q529 PolarHBondContact O-OE1 3.42Å |
| 527 | F | 88.5 | Confident | 92 | Very high | 83 Ų | 83 | 26 Ų | 26 | 36% | 0.364 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -89.5 | 135.6 | 172 | -180 | -88.4 | 0 | 0 | 0 | 109.1 | N314 | N314-F527 WeakPolarHBondContact OD1-CE1 3.49Å; N314-F527 WeakPolarHBondContact OD1-CZ 3.42Å |
| 528 | P | 89.5 | Confident | 91.9 | Very high | 95 Ų | 95 | 26 Ų | 26 | 62% | 0.617 | 15% | 0.152 | S | C | * | . | S | Bend | cis | -93 | 9.7 | 11.8 | 36.5 | -36.8 | 0 | 0 | 0 | 116.4 | R318 | R318-P528 VanDerWaalsContact NH2-C 3.33Å; R318-P528 PolarHBondContact NH2-O 2.78Å |
| 529 | Q | 89.8 | Confident | 91.9 | Very high | 109 Ų | 109 | 26 Ų | 26 | 51% | 0.509 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -67.9 | 144.3 | -179.6 | -58.2 | 78.1 | 25.3 | 0 | 0 | 112 | R318 T526 | R318-Q529 PolarHBondContact NH1-O 2.81Å; R318-Q529 PolarHBondContact NH2-O 3.02Å; T526-Q529 VanDerWaalsContact CG2-OE1 3.26Å; T526-Q529 CarbonylContact O-C 3.14Å; T526-Q529 PolarHBondContact O-N 3.11Å; T526-Q529 PolarHBondContact O-OE1 3.42Å |
| 530 | A | 90.4 | Very high | 91.9 | Very high | 40 Ų | 40 | 26 Ų | 26 | 33% | 0.331 | 15% | 0.152 | S | C | . | . | P | Polyproline II helix | trans | -48 | 139.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y163 | Y163-A530 HydrophobicContact CD1-CB 4.11Å; Y163-A530 HydrophobicContact CE1-CB 3.76Å |
| 531 | P | 94.2 | Very high | 91.9 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.019 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 161.2 | 179 | 28.1 | -34.7 | 0 | 0 | 0 | 111.1 | R212 G216 N524 G533 | R212-P531 HydrophobicContact CB-CG 4.38Å; R212-P531 WeakPolarHBondContact CD-O 3.24Å; R212-P531 HydrophobicContact CG-CG 4.24Å; R212-P531 WeakPolarHBondContact CG-O 3.28Å; R212-P531 PolarHBondContact NE-O 2.88Å; G216-P531 VanDerWaalsContact CA-CD 3.42Å; N524-P531 WeakPolarHBondContact O-CA 3.49Å; N524-P531 VanDerWaalsContact O-CB 3.24Å; N524-P531 WeakPolarHBondContact O-CB 3.39Å; P531-G533 VanDerWaalsContact C-N 3.34Å |
| 532 | W | 93.5 | Very high | 92.1 | Very high | 67 Ų | 67 | 26 Ų | 26 | 25% | 0.254 | 14% | 0.144 | S | C | . | . | trans | -80 | -14.4 | -178.8 | -65.7 | -47.8 | 0 | 0 | 0 | 114.1 | R208 R212 G525 | R208-W532 VanDerWaalsContact CZ-O 3.32Å; R208-W532 PolarHBondContact NE-O 2.78Å; R208-W532 PolarHBondContact NH2-O 3.27Å; R212-W532 PolarHBondContact NE-O 3.49Å; R212-W532 PolarHBondContact NH2-O 3.09Å; G525-W532 VanDerWaalsContact CA-CE3 3.43Å; G525-W532 VanDerWaalsContact N-CZ3 3.35Å | ||
| 533 | G | 95.3 | Very high | 92.6 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | trans | 76.1 | 24.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | P531 V536 | P531-G533 VanDerWaalsContact C-N 3.34Å; G533-V536 WeakPolarHBondContact O-CB 3.16Å; G533-V536 WeakPolarHBondContact O-CG2 3.49Å; G533-V536 PolarHBondContact O-N 3.34Å | ||
| 534 | C | 95.4 | Very high | 93.4 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 4% | 0.041 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 163.3 | 172.9 | -58.9 | 0 | 0 | 0 | 0 | 111 | A325 D450 M520 G523 V536 | A325-C534 WeakPolarHBondContact CB-O 3.44Å; D450-C534 VanDerWaalsContact OD1-CB 3.24Å; D450-C534 WeakPolarHBondContact OD1-CB 3.44Å; D450-C534 PolarHBondContact OD1-SG 3.14Å; M520-C534 VanDerWaalsContact CE-C 3.45Å; M520-C534 HydrophobicContact CE-CB 4.1Å; M520-C534 WeakPolarHBondContact CE-O 3.34Å; G523-C534 WeakPolarHBondContact O-CB 3.46Å; G523-C534 PolarHBondContact O-SG 2.89Å; C534-V536 VanDerWaalsContact C-N 3.26Å |
| 535 | P | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -86.9 | 36.3 | -18.6 | 38.1 | -37.8 | 0 | 0 | 0 | 111.7 | I408 D450 V452 I518 A537 A538 L539 | I408-P535 HydrophobicContact CG2-CG 4.35Å; D450-P535 WeakPolarHBondContact OD2-CA 3.32Å; V452-P535 HydrophobicContact CG2-CB 4.49Å; I518-P535 HydrophobicContact CD1-CG 4.41Å; I518-P535 HydrophobicContact CG2-CG 4.25Å; P535-A537 VanDerWaalsContact C-N 3.27Å; P535-A537 PolarHBondContact O-N 3.05Å; P535-A538 HydrophobicContact CB-CB 4.22Å; P535-A538 PolarHBondContact O-N 3.14Å; P535-A538 VanDerWaalsContact O-N 3.15Å; P535-L539 HydrophobicContact CG-CD1 4.06Å; P535-L539 VanDerWaalsContact O-CG 3.31Å; P535-L539 HydrophobicContact CG-CG 4.1Å; P535-L539 PolarHBondContact O-N 3.21Å; P535-L539 WeakPolarHBondContact O-CG 3.41Å |
| 536 | V | 98 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.6 | -39.3 | -171.9 | 173.2 | 0 | 0 | 0 | 0 | 112.2 | R208 A211 A325 V332 D450 G533 C534 T540 | R208-V536 HydrophobicContact CG-CB 3.94Å; R208-V536 HydrophobicContact CG-CG1 4.12Å; A211-V536 HydrophobicContact CB-CG2 4.36Å; A325-V536 HydrophobicContact CB-CG2 4.37Å; V332-V536 HydrophobicContact CG2-CG1 3.7Å; D450-V536 PolarHBondContact OD2-N 2.76Å; G533-V536 WeakPolarHBondContact O-CB 3.16Å; G533-V536 WeakPolarHBondContact O-CG2 3.49Å; G533-V536 PolarHBondContact O-N 3.34Å; C534-V536 VanDerWaalsContact C-N 3.26Å; V536-T540 WeakPolarHBondContact O-CB 3.29Å; V536-T540 PolarHBondContact O-N 2.96Å; V536-T540 PolarHBondContact O-OG1 2.74Å |
| 537 | A | 97.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 2% | 0.017 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.7 | -44.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | I204 V448 D450 P535 L539 T540 A541 | I204-A537 HydrophobicContact CG2-CB 3.72Å; V448-A537 HydrophobicContact CB-CB 4.46Å; V448-A537 HydrophobicContact CG2-CB 3.98Å; D450-A537 HydrophobicContact CB-CB 3.97Å; D450-A537 WeakPolarHBondContact OD2-CB 3.3Å; D450-A537 PolarHBondContact OD2-N 3.04Å; D450-A537 VanDerWaalsContact OD2-N 3.15Å; P535-A537 VanDerWaalsContact C-N 3.27Å; P535-A537 PolarHBondContact O-N 3.05Å; A537-L539 PolarHBondContact O-N 3.49Å; A537-T540 WeakPolarHBondContact O-CB 3.38Å; A537-T540 PolarHBondContact O-N 3.25Å; A537-A541 PolarHBondContact O-N 3.02Å |
| 538 | A | 97.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L441 D450 V452 P535 A541 R542 | L441-A538 HydrophobicContact CD1-CB 4.42Å; D450-A538 HydrophobicContact CB-CB 4.13Å; D450-A538 WeakPolarHBondContact O-CB 3.19Å; D450-A538 PolarHBondContact OD2-N 3Å; V452-A538 HydrophobicContact CG2-CB 4.08Å; P535-A538 HydrophobicContact CB-CB 4.22Å; P535-A538 PolarHBondContact O-N 3.14Å; P535-A538 VanDerWaalsContact O-N 3.15Å; A538-A541 PolarHBondContact O-N 2.86Å; A538-R542 WeakPolarHBondContact O-CB 3.44Å; A538-R542 PolarHBondContact O-N 2.99Å |
| 539 | L | 98.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.1 | -42.1 | 175.4 | -67.2 | 176 | 0 | 0 | 0 | 111.5 | F293 F329 I408 I518 P535 A537 R542 F543 | F293-L539 HydrophobicContact CE1-CD1 4.18Å; F293-L539 HydrophobicContact CE1-CD2 3.98Å; F293-L539 HydrophobicContact CZ-CD2 4.36Å; F329-L539 HydrophobicContact CB-CD1 4.36Å; F329-L539 HydrophobicContact CD2-CB 3.66Å; F329-L539 HydrophobicContact CD2-CD1 4.33Å; F329-L539 HydrophobicContact CE2-CB 3.72Å; F329-L539 HydrophobicContact CG-CB 4.38Å; F329-L539 HydrophobicContact CG-CD1 4.28Å; F329-L539 HydrophobicContact CZ-CB 4.47Å; I408-L539 HydrophobicContact CD1-CD1 3.64Å; I518-L539 HydrophobicContact CD1-CD2 3.97Å; P535-L539 HydrophobicContact CG-CD1 4.06Å; P535-L539 VanDerWaalsContact O-CG 3.31Å; P535-L539 HydrophobicContact CG-CG 4.1Å; P535-L539 PolarHBondContact O-N 3.21Å; P535-L539 WeakPolarHBondContact O-CG 3.41Å; A537-L539 PolarHBondContact O-N 3.49Å; L539-R542 PolarHBondContact O-N 3.27Å; L539-F543 HydrophobicContact CD2-CE2 3.63Å; L539-F543 PolarHBondContact O-N 3.33Å; L539-F543 WeakPolarHBondContact O-CB 3.42Å; L539-F543 VanDerWaalsContact O-CB 3.3Å; L539-F543 HydrophobicContact CD2-CD2 3.87Å; L539-F543 HydrophobicContact CB-CD2 4.36Å |
| 540 | T | 97.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -61.4 | -49.3 | 176.6 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | L200 I204 V332 L336 V536 A537 R542 I544 L545 | L200-T540 HydrophobicContact CD1-CG2 3.92Å; I204-T540 HydrophobicContact CD1-CG2 3.95Å; I204-T540 HydrophobicContact CG1-CG2 3.74Å; V332-T540 HydrophobicContact CG1-CG2 3.89Å; L336-T540 HydrophobicContact CD1-CG2 4.28Å; V536-T540 WeakPolarHBondContact O-CB 3.29Å; V536-T540 PolarHBondContact O-N 2.96Å; V536-T540 PolarHBondContact O-OG1 2.74Å; A537-T540 WeakPolarHBondContact O-CB 3.38Å; A537-T540 PolarHBondContact O-N 3.25Å; T540-R542 VanDerWaalsContact C-N 3.34Å; T540-R542 PolarHBondContact O-N 2.73Å; T540-I544 HydrophobicContact CG2-CB 4.2Å; T540-I544 HydrophobicContact CG2-CD1 4.16Å; T540-I544 WeakPolarHBondContact O-CA 3.36Å; T540-I544 WeakPolarHBondContact O-CB 3.15Å; T540-I544 PolarHBondContact O-N 2.89Å; T540-L545 HydrophobicContact CG2-CG 4.44Å; T540-L545 PolarHBondContact O-N 3.5Å |
| 541 | A | 96.3 | Very high | 90 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -60.6 | -42 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A444 V448 A537 A538 Q546 Y547 L551 | A444-A541 HydrophobicContact CB-CB 3.91Å; V448-A541 HydrophobicContact CG1-CB 3.71Å; V448-A541 HydrophobicContact CG2-CB 4.04Å; A537-A541 PolarHBondContact O-N 3.02Å; A538-A541 PolarHBondContact O-N 2.86Å; A541-Q546 PolarHBondContact O-N 2.8Å; A541-Y547 PolarHBondContact O-N 2.81Å; A541-Y547 VanDerWaalsContact O-N 3.08Å; A541-L551 HydrophobicContact CB-CD1 4.36Å |
| 542 | R | 96.2 | Very high | 88.6 | Confident | 36 Ų | 36 | 30 Ų | 30 | 14% | 0.136 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -71.3 | -50.6 | -180 | 172.7 | 58.5 | -167.5 | 92.9 | -1.7 | 112.3 | E437 L441 A444 A538 L539 T540 Q546 | E437-R542 IonicContact OE1-NH2 3.3Å; E437-R542 IonicContact OE2-CZ 2.65Å; E437-R542 IonicContact OE2-NE 3.73Å; E437-R542 IonicContact OE2-NH2 3.53Å; E437-R542 PolarHBondContact OE2-NH2 3.5Å; L441-R542 HydrophobicContact CB-CG 4.39Å; L441-R542 HydrophobicContact CD1-CB 3.86Å; L441-R542 HydrophobicContact CD1-CG 4.11Å; A444-R542 HydrophobicContact CB-CB 3.9Å; A538-R542 WeakPolarHBondContact O-CB 3.44Å; A538-R542 PolarHBondContact O-N 2.99Å; L539-R542 PolarHBondContact O-N 3.27Å; T540-R542 VanDerWaalsContact C-N 3.34Å; T540-R542 PolarHBondContact O-N 2.73Å; R542-Q546 WeakPolarHBondContact O-CA 3.25Å |
| 543 | F | 95.9 | Very high | 86.9 | Confident | 13 Ų | 13 | 33 Ų | 33 | 6% | 0.057 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -105.3 | -27.1 | -161.2 | -69.4 | -57.2 | 0 | 0 | 0 | 114.6 | L291 F293 F329 H404 L539 | L291-F543 HydrophobicContact CD1-CB 3.48Å; L291-F543 VanDerWaalsContact CD1-CB 3.48Å; L291-F543 HydrophobicContact CD1-CD1 3.76Å; L291-F543 HydrophobicContact CD1-CD2 4.34Å; L291-F543 HydrophobicContact CD1-CG 3.61Å; L291-F543 HydrophobicContact CD2-CD1 3.59Å; L291-F543 HydrophobicContact CD2-CE1 3.75Å; L291-F543 HydrophobicContact CD2-CG 4.24Å; L291-F543 HydrophobicContact CD2-CZ 4.5Å; L291-F543 HydrophobicContact CG-CD1 4.34Å; F293-F543 HydrophobicContact CZ-CD2 4.23Å; F293-F543 HydrophobicContact CZ-CE2 4.29Å; F329-F543 HydrophobicContact CZ-CB 4.23Å; H404-F543 AromaticContact CE1-CZ 3.93Å; H404-F543 AromaticContact ND1-CE1 3.75Å; H404-F543 AromaticContact ND1-CZ 3.98Å; L539-F543 HydrophobicContact CD2-CE2 3.63Å; L539-F543 PolarHBondContact O-N 3.33Å; L539-F543 WeakPolarHBondContact O-CB 3.42Å; L539-F543 VanDerWaalsContact O-CB 3.3Å; L539-F543 HydrophobicContact CD2-CD2 3.87Å; L539-F543 HydrophobicContact CB-CD2 4.36Å |
| 544 | I | 93.6 | Very high | 85.1 | Confident | 24 Ų | 24 | 36.3 Ų | 36.3 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -95.1 | -48.4 | 177.5 | -61.7 | 179.1 | 0 | 0 | 0 | 109.6 | F329 V332 L333 L336 P338 T540 | F329-I544 HydrophobicContact CE2-CD1 3.67Å; F329-I544 HydrophobicContact CE2-CG1 4Å; F329-I544 HydrophobicContact CZ-CD1 3.96Å; F329-I544 HydrophobicContact CZ-CG1 3.98Å; V332-I544 HydrophobicContact CB-CD1 4.4Å; V332-I544 HydrophobicContact CG1-CD1 3.76Å; L333-I544 HydrophobicContact CD2-CD1 3.63Å; L333-I544 HydrophobicContact CD2-CG1 4Å; L333-I544 HydrophobicContact CG-CD1 4.2Å; L336-I544 HydrophobicContact CD1-CG2 3.98Å; P338-I544 HydrophobicContact CB-CG2 4.09Å; P338-I544 HydrophobicContact CG-CG1 4.35Å; P338-I544 HydrophobicContact CG-CG2 4.14Å; T540-I544 HydrophobicContact CG2-CB 4.2Å; T540-I544 HydrophobicContact CG2-CD1 4.16Å; T540-I544 WeakPolarHBondContact O-CA 3.36Å; T540-I544 WeakPolarHBondContact O-CB 3.15Å; T540-I544 PolarHBondContact O-N 2.89Å |
| 545 | L | 90.4 | Very high | 84.6 | Confident | 30 Ų | 30 | 37.9 Ų | 37.9 | 16% | 0.157 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -87.3 | -17.6 | -177.1 | -53.5 | 179.2 | 0 | 0 | 0 | 113.5 | L200 T540 Y547 G550 L551 | L200-L545 HydrophobicContact CD1-CD1 4.01Å; L200-L545 HydrophobicContact CD1-CD2 4.01Å; L200-L545 HydrophobicContact CD1-CG 4.39Å; L200-L545 HydrophobicContact CD2-CD1 3.32Å; L200-L545 HydrophobicContact CD2-CD2 3.88Å; L200-L545 HydrophobicContact CD2-CG 4.22Å; L200-L545 HydrophobicContact CG-CD1 4.26Å; T540-L545 HydrophobicContact CG2-CG 4.44Å; T540-L545 PolarHBondContact O-N 3.5Å; L545-Y547 PolarHBondContact O-N 2.87Å; L545-G550 WeakPolarHBondContact O-CA 3.26Å; L545-G550 PolarHBondContact O-N 3.19Å; L545-L551 HydrophobicContact CD1-CD2 3.45Å; L545-L551 VanDerWaalsContact CD1-CD2 3.45Å; L545-L551 HydrophobicContact CD1-CG 3.93Å |
| 546 | Q | 84.4 | Confident | 84 | Confident | 107 Ų | 107 | 39.8 Ų | 39.8 | 50% | 0.5 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 55 | -177.8 | -54.3 | -174.2 | -0.4 | 0 | 0 | 112.2 | A541 R542 A549 | A541-Q546 PolarHBondContact O-N 2.8Å; R542-Q546 WeakPolarHBondContact O-CA 3.25Å; Q546-A549 PolarHBondContact O-N 2.84Å; Q546-A549 VanDerWaalsContact O-N 3.1Å |
| 547 | Y | 80.6 | Confident | 83.2 | Confident | 82 Ų | 82 | 42.1 Ų | 42.1 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.4 | 135.5 | 177.5 | -178.8 | -97 | 0 | 0 | 0 | 112.5 | A443 A444 A447 A541 L545 L551 | A443-Y547 HydrophobicContact CB-CD1 4.28Å; A443-Y547 HydrophobicContact CB-CE1 4.2Å; A444-Y547 HydrophobicContact CB-CD1 4.39Å; A444-Y547 HydrophobicContact CB-CG 4.31Å; A447-Y547 HydrophobicContact CB-CD2 3.98Å; A447-Y547 HydrophobicContact CB-CE1 4.37Å; A447-Y547 HydrophobicContact CB-CE2 3.58Å; A541-Y547 PolarHBondContact O-N 2.81Å; A541-Y547 VanDerWaalsContact O-N 3.08Å; L545-Y547 PolarHBondContact O-N 2.87Å; Y547-L551 HydrophobicContact CE2-CD1 4.21Å; Y547-L551 HydrophobicContact CE2-CB 4.21Å; Y547-L551 HydrophobicContact CD2-CD1 3.63Å; Y547-L551 HydrophobicContact CD2-CB 3.86Å; Y547-L551 HydrophobicContact CD2-CG 4.05Å |
| 548 | P | 77.5 | Confident | 82.3 | Confident | 86 Ų | 86 | 44.4 Ų | 44.4 | 56% | 0.558 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -83.6 | -11.6 | 8.2 | 32.9 | -35.5 | 0 | 0 | 0 | 116.3 | G550 L551 S552 | P548-G550 PolarHBondContact O-N 3.4Å; P548-L551 PolarHBondContact O-N 3.4Å; P548-S552 PolarHBondContact O-N 2.92Å |
| 549 | A | 74.9 | Confident | 81.4 | Confident | 64 Ų | 64 | 47.2 Ų | 47.2 | 53% | 0.529 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -56.7 | -52.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q546 L551 S552 | Q546-A549 PolarHBondContact O-N 2.84Å; Q546-A549 VanDerWaalsContact O-N 3.1Å; A549-L551 VanDerWaalsContact C-N 3.33Å; A549-L551 PolarHBondContact O-N 2.97Å; A549-S552 PolarHBondContact O-OG 2.95Å; A549-S552 PolarHBondContact O-N 3.31Å |
| 550 | G | 64.7 | Low | 80.3 | Confident | 25 Ų | 25 | 50.3 Ų | 50.3 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -79.9 | -4.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | L545 P548 | L545-G550 WeakPolarHBondContact O-CA 3.26Å; L545-G550 PolarHBondContact O-N 3.19Å; P548-G550 PolarHBondContact O-N 3.4Å |
| 551 | L | 71.2 | Confident | 79 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -106.9 | -1 | 171.5 | -67.9 | -177.6 | 0 | 0 | 0 | 113 | T149 L152 L200 A447 V448 A541 L545 Y547 P548 A549 H553 F554 | T149-L551 HydrophobicContact CG2-CB 4.26Å; T149-L551 HydrophobicContact CG2-CD1 4.04Å; L152-L551 HydrophobicContact CD2-CD2 3.73Å; L200-L551 HydrophobicContact CD2-CD2 4.22Å; A447-L551 HydrophobicContact CB-CD1 4.17Å; V448-L551 HydrophobicContact CG1-CD1 3.77Å; A541-L551 HydrophobicContact CB-CD1 4.36Å; L545-L551 HydrophobicContact CD1-CD2 3.45Å; L545-L551 VanDerWaalsContact CD1-CD2 3.45Å; L545-L551 HydrophobicContact CD1-CG 3.93Å; Y547-L551 HydrophobicContact CE2-CD1 4.21Å; Y547-L551 HydrophobicContact CE2-CB 4.21Å; Y547-L551 HydrophobicContact CD2-CD1 3.63Å; Y547-L551 HydrophobicContact CD2-CB 3.86Å; Y547-L551 HydrophobicContact CD2-CG 4.05Å; P548-L551 PolarHBondContact O-N 3.4Å; A549-L551 VanDerWaalsContact C-N 3.33Å; A549-L551 PolarHBondContact O-N 2.97Å; L551-H553 PolarHBondContact O-N 3.37Å; L551-H553 VanDerWaalsContact O-N 3.11Å; L551-F554 HydrophobicContact CB-CD2 4.41Å; L551-F554 HydrophobicContact CD2-CD2 3.78Å; L551-F554 HydrophobicContact CD2-CE2 3.49Å; L551-F554 VanDerWaalsContact CD2-CE2 3.49Å; L551-F554 HydrophobicContact CD2-CZ 4.3Å; L551-F554 PolarHBondContact O-N 2.86Å |
| 552 | S | 65.1 | Low | 77.7 | Confident | 81 Ų | 81 | 58.1 Ų | 58.1 | 57% | 0.566 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -9.9 | -179.6 | 64.8 | 0 | 0 | 0 | 0 | 114.9 | P548 A549 | P548-S552 PolarHBondContact O-N 2.92Å; A549-S552 PolarHBondContact O-OG 2.95Å; A549-S552 PolarHBondContact O-N 3.31Å |
| 553 | H | 58.8 | Low | 76.2 | Confident | 130 Ų | 130 | 59.9 Ų | 59.9 | 60% | 0.602 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 3 | -177.8 | -57.9 | -51.7 | 0 | 0 | 0 | 114.4 | L551 | L551-H553 PolarHBondContact O-N 3.37Å; L551-H553 VanDerWaalsContact O-N 3.11Å |
| 554 | F | 57.3 | Low | 74.4 | Confident | 72 Ų | 72 | 64.2 Ų | 64.2 | 32% | 0.316 | 36% | 0.36 | S | S | . | . | trans | -89.9 | 0 | -179.3 | -77.7 | -92.6 | 0 | 0 | 0 | 112.5 | L152 A197 L200 L551 | L152-F554 HydrophobicContact CB-CD1 3.94Å; L152-F554 HydrophobicContact CB-CE1 3.67Å; L152-F554 HydrophobicContact CB-CZ 4.33Å; L152-F554 HydrophobicContact CD1-CE1 4.12Å; L152-F554 HydrophobicContact CD1-CZ 4.25Å; L152-F554 HydrophobicContact CD2-CE1 4.19Å; L152-F554 HydrophobicContact CD2-CE2 4.41Å; L152-F554 HydrophobicContact CD2-CZ 3.99Å; L152-F554 HydrophobicContact CG-CE1 4.2Å; L152-F554 HydrophobicContact CG-CZ 4.42Å; A197-F554 HydrophobicContact CB-CD1 3.79Å; A197-F554 HydrophobicContact CB-CE1 3.09Å; A197-F554 HydrophobicContact CB-CZ 3.68Å; L200-F554 HydrophobicContact CD2-CE2 3.94Å; L200-F554 HydrophobicContact CD2-CZ 3.74Å; L551-F554 HydrophobicContact CB-CD2 4.41Å; L551-F554 HydrophobicContact CD2-CD2 3.78Å; L551-F554 HydrophobicContact CD2-CE2 3.49Å; L551-F554 VanDerWaalsContact CD2-CE2 3.49Å; L551-F554 HydrophobicContact CD2-CZ 4.3Å; L551-F554 PolarHBondContact O-N 2.86Å |
Retrieved 554 of 554 residues in 609.8 ms
(Link to these results)