| 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 | 39.6 | Very low | 69.3 | Low | 228 Ų | 228 | 101.8 Ų | 101.8 | 100% | 1.123 | 52% | 0.52 | S | S | * | . | 0 | 135.6 | 0 | -66.4 | -169.9 | -176.8 | 0 | 0 | 109 | K3 | M1-K3 PolarHBondContact O-N 3.28Š| |||
| 2 | P | 43.7 | Very low | 70.7 | Confident | 125 Ų | 125 | 102.7 Ų | 102.7 | 81% | 0.812 | 52% | 0.52 | S | S | * | . | trans | -56.5 | 128 | 175.8 | 22.6 | -30.3 | 0 | 0 | 0 | 109.4 | T4 | P2-T4 PolarHBondContact O-N 3.12Š| ||
| 3 | K | 60.2 | Low | 72.1 | Confident | 176 Ų | 176 | 96.3 Ų | 96.3 | 77% | 0.765 | 49% | 0.486 | S | S | * | . | trans | -69.9 | 104.8 | 179.2 | -70 | -176 | -178.8 | 176 | 0 | 108.1 | M1 L8 | M1-K3 PolarHBondContact O-N 3.28Å; K3-L8 HydrophobicContact CB-CD2 4.14Å; K3-L8 HydrophobicContact CB-CG 4.27Å; K3-L8 HydrophobicContact CD-CD2 3.8Å | ||
| 4 | T | 78.3 | Confident | 73.3 | Confident | 71 Ų | 71 | 95.1 Ų | 95.1 | 44% | 0.436 | 48% | 0.477 | S | S | . | . | trans | -62 | 150 | 172.6 | 62.2 | 0 | 0 | 0 | 0 | 109.7 | P2 K6 G7 L8 | P2-T4 PolarHBondContact O-N 3.12Å; T4-K6 PolarHBondContact O-N 2.95Å; T4-G7 WeakPolarHBondContact O-CA 3.33Å; T4-G7 PolarHBondContact O-N 3.17Å; T4-G7 PolarHBondContact OG1-N 3.08Å; T4-L8 PolarHBondContact O-N 3.05Å; T4-L8 VanDerWaalsContact O-N 3.13Å | ||
| 5 | L | 78.8 | Confident | 74.6 | Confident | 91 Ų | 91 | 91.3 Ų | 91.3 | 48% | 0.476 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -56.7 | -35.7 | 177.1 | -171.4 | 64.8 | 0 | 0 | 0 | 111.3 | G7 L8 V9 V45 | L5-G7 PolarHBondContact O-N 2.57Å; L5-L8 PolarHBondContact O-N 3.19Å; L5-V9 PolarHBondContact O-N 3.04Å; L5-V45 HydrophobicContact CD2-CG1 4.02Å |
| 6 | K | 79.6 | Confident | 75.8 | Confident | 36 Ų | 36 | 86.9 Ų | 86.9 | 16% | 0.157 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 172.2 | -65.8 | -172.6 | 177.8 | -178.6 | 0 | 112.6 | T4 V9 S10 R15 G44 V45 R47 D52 | T4-K6 PolarHBondContact O-N 2.95Å; K6-V9 PolarHBondContact O-N 3.36Å; K6-S10 PolarHBondContact O-N 3.43Å; K6-S10 PolarHBondContact O-OG 3.42Å; K6-R15 PolarHBondContact O-NH1 3.01Å; K6-G44 WeakPolarHBondContact CE-O 3.14Å; K6-V45 WeakPolarHBondContact CG-O 3.5Å; K6-R47 WeakPolarHBondContact CE-O 3.39Å; K6-D52 IonicContact NZ-OD2 2.79Å |
| 7 | G | 73.4 | Confident | 76.7 | Confident | 26 Ų | 26 | 89.2 Ų | 89.2 | 27% | 0.268 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.5 | -36.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T4 L5 V9 S10 R11 | T4-G7 WeakPolarHBondContact O-CA 3.33Å; T4-G7 PolarHBondContact O-N 3.17Å; T4-G7 PolarHBondContact OG1-N 3.08Å; L5-G7 PolarHBondContact O-N 2.57Å; G7-V9 VanDerWaalsContact C-N 3.34Å; G7-V9 PolarHBondContact O-N 3.28Å; G7-S10 WeakPolarHBondContact CA-OG 3.33Å; G7-S10 PolarHBondContact O-N 3.41Å; G7-S10 PolarHBondContact O-OG 3.26Å; G7-R11 PolarHBondContact O-N 2.82Å |
| 8 | L | 72.7 | Confident | 77.5 | Confident | 92 Ų | 92 | 90.8 Ų | 90.8 | 48% | 0.482 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 175.8 | -67.9 | 174.5 | 0 | 0 | 0 | 112.1 | K3 T4 L5 R11 | K3-L8 HydrophobicContact CB-CD2 4.14Å; K3-L8 HydrophobicContact CB-CG 4.27Å; K3-L8 HydrophobicContact CD-CD2 3.8Å; T4-L8 PolarHBondContact O-N 3.05Å; T4-L8 VanDerWaalsContact O-N 3.13Å; L5-L8 PolarHBondContact O-N 3.19Å; L8-R11 WeakPolarHBondContact O-CG 3.37Å |
| 9 | V | 77.2 | Confident | 78.2 | Confident | 61 Ų | 61 | 92.2 Ų | 92.2 | 37% | 0.37 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -75 | -32.7 | 177.9 | 173.1 | 0 | 0 | 0 | 0 | 112.2 | L5 K6 G7 R11 Y46 | L5-V9 PolarHBondContact O-N 3.04Å; K6-V9 PolarHBondContact O-N 3.36Å; G7-V9 VanDerWaalsContact C-N 3.34Å; G7-V9 PolarHBondContact O-N 3.28Å; V9-R11 VanDerWaalsContact C-N 3.34Å; V9-Y46 WeakPolarHBondContact CB-O 3.28Å; V9-Y46 HydrophobicContact CG1-CD2 4.26Å; V9-Y46 HydrophobicContact CG2-CD2 3.94Å; V9-Y46 HydrophobicContact CG2-CG 4.32Å |
| 10 | S | 74.3 | Confident | 78.9 | Confident | 7 Ų | 7 | 91 Ų | 91 | 5% | 0.049 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -71.6 | -28.8 | 177.4 | 58 | 0 | 0 | 0 | 0 | 113.2 | K6 G7 H12 K13 R15 | K6-S10 PolarHBondContact O-N 3.43Å; K6-S10 PolarHBondContact O-OG 3.42Å; G7-S10 WeakPolarHBondContact CA-OG 3.33Å; G7-S10 PolarHBondContact O-N 3.41Å; G7-S10 PolarHBondContact O-OG 3.26Å; S10-H12 PolarHBondContact O-N 3.16Å; S10-K13 VanDerWaalsContact CA-CE 3.48Å; S10-K13 WeakPolarHBondContact O-CB 3.31Å; S10-K13 WeakPolarHBondContact O-CE 3.37Å; S10-K13 WeakPolarHBondContact O-CG 3.34Å; S10-K13 PolarHBondContact O-N 3.4Å; S10-R15 WeakPolarHBondContact OG-CD 3.2Å |
| 11 | R | 84.6 | Confident | 79.6 | Confident | 207 Ų | 207 | 87.3 Ų | 87.3 | 78% | 0.781 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | -121.9 | -175.4 | -57.3 | -177.2 | 179.1 | -176.8 | -0.8 | 110.1 | G7 L8 V9 K13 | G7-R11 PolarHBondContact O-N 2.82Å; L8-R11 WeakPolarHBondContact O-CG 3.37Å; V9-R11 VanDerWaalsContact C-N 3.34Å; R11-K13 VanDerWaalsContact C-N 3.26Å; R11-K13 PolarHBondContact O-N 2.78Å |
| 12 | H | 86.1 | Confident | 82.1 | Confident | 112 Ų | 112 | 78.7 Ų | 78.7 | 52% | 0.519 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 16.8 | -179.1 | -53.9 | -70.8 | 0 | 0 | 0 | 114.5 | S10 T160 D161 | S10-H12 PolarHBondContact O-N 3.16Å; H12-T160 CarbonylContact O-C 3.56Å; H12-T160 WeakPolarHBondContact O-CA 3.49Å; H12-T160 VanDerWaalsContact O-CB 3.3Å; H12-T160 WeakPolarHBondContact O-CB 3.49Å; H12-D161 PolarHBondContact O-N 3.34Å |
| 13 | K | 88.3 | Confident | 84.5 | Confident | 20 Ų | 20 | 72.8 Ų | 72.8 | 9% | 0.087 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -85 | 137.7 | 175.7 | -68 | -179.1 | -68.2 | 171.5 | 0 | 109.7 | S10 R11 R15 D24 A126 T160 | S10-K13 VanDerWaalsContact CA-CE 3.48Å; S10-K13 WeakPolarHBondContact O-CB 3.31Å; S10-K13 WeakPolarHBondContact O-CE 3.37Å; S10-K13 WeakPolarHBondContact O-CG 3.34Å; S10-K13 PolarHBondContact O-N 3.4Å; R11-K13 VanDerWaalsContact C-N 3.26Å; R11-K13 PolarHBondContact O-N 2.78Å; K13-R15 PolarHBondContact O-N 3.26Å; K13-D24 IonicContact NZ-OD1 3.34Å; K13-D24 IonicContact NZ-OD2 2.61Å; K13-D24 PolarHBondContact NZ-OD2 2.88Å; K13-A126 WeakPolarHBondContact CD-O 3.24Å; K13-A126 PolarHBondContact NZ-O 2.79Å; K13-T160 HydrophobicContact CG-CG2 4.44Å |
| 14 | K | 89.8 | Confident | 86.2 | Confident | 80 Ų | 80 | 64.9 Ų | 64.9 | 35% | 0.348 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 125 | 173 | -71.3 | 178.2 | 174.9 | -177.6 | 0 | 109.3 | S26 E157 Q158 R159 D161 | K14-S26 PolarHBondContact O-OG 3.09Å; K14-E157 WeakPolarHBondContact CE-O 3.36Å; K14-E157 PolarHBondContact NZ-O 3.3Å; K14-Q158 WeakPolarHBondContact CD-O 3.4Å; K14-R159 PolarHBondContact N-O 2.9Å; K14-R159 PolarHBondContact O-NH1 3.22Å; K14-D161 WeakPolarHBondContact CE-OD1 3.3Å; K14-D161 WeakPolarHBondContact CG-OD1 3.33Å |
| 15 | R | 93.1 | Very high | 87 | Confident | 38 Ų | 38 | 61.6 Ų | 61.6 | 14% | 0.143 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -101.7 | 144.7 | 176.8 | -61.8 | -178.1 | 67.5 | 76.3 | 13.6 | 109.5 | K6 S10 K13 Q17 D22 L23 | K6-R15 PolarHBondContact O-NH1 3.01Å; S10-R15 WeakPolarHBondContact OG-CD 3.2Å; K13-R15 PolarHBondContact O-N 3.26Å; R15-Q17 HydrophobicContact CB-CG 4.09Å; R15-Q17 PolarHBondContact O-N 3.11Å; R15-D22 IonicContact CZ-OD1 3.95Å; R15-D22 IonicContact NE-OD1 2.85Å; R15-D22 PolarHBondContact NE-OD1 3.29Å; R15-D22 PolarHBondContact NH2-O 3.03Å; R15-D22 IonicContact NH2-OD1 3.22Å; R15-D22 PolarHBondContact NH2-OD1 2.84Å; R15-L23 CarbonylContact C-O 3.57Å; R15-L23 WeakPolarHBondContact CA-O 3.46Å; R15-L23 WeakPolarHBondContact CB-O 3.22Å |
| 16 | F | 93.3 | Very high | 87.9 | Confident | 20 Ų | 20 | 57.7 Ų | 57.7 | 9% | 0.088 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -80.3 | 110.3 | 169.5 | -171.7 | -88.9 | 0 | 0 | 0 | 108.9 | Q18 F21 D22 L23 L25 Y27 F56 R60 | F16-Q18 HydrophobicContact CE1-CB 3.79Å; F16-Q18 WeakPolarHBondContact CE1-O 3.26Å; F16-Q18 HydrophobicContact CE2-CB 4.41Å; F16-Q18 HydrophobicContact CZ-CB 3.7Å; F16-Q18 HydrophobicContact CZ-CG 4.26Å; F16-F21 HydrophobicContact CD1-CB 3.91Å; F16-F21 HydrophobicContact CE1-CB 4.08Å; F16-F21 HydrophobicContact CE1-CD2 4.45Å; F16-D22 WeakPolarHBondContact O-CA 3.43Å; F16-L23 PolarHBondContact N-O 3.43Å; F16-L23 PolarHBondContact O-N 3.49Å; F16-L25 HydrophobicContact CB-CB 4.3Å; F16-L25 HydrophobicContact CB-CD2 4.13Å; F16-L25 WeakPolarHBondContact CB-O 3.35Å; F16-L25 HydrophobicContact CD2-CD2 4.45Å; F16-L25 HydrophobicContact CG-CD2 4.39Å; F16-L25 PolarHBondContact N-O 3.27Å; F16-L25 VanDerWaalsContact N-O 3.16Å; F16-Y27 HydrophobicContact CD2-CD2 4.39Å; F16-Y27 HydrophobicContact CD2-CE2 4.24Å; F16-Y27 HydrophobicContact CE2-CD2 4.4Å; F16-Y27 AromaticContact CE2-CE2 3.99Å; F16-Y27 HydrophobicContact CE2-CE2 3.99Å; F16-F56 HydrophobicContact CD1-CD2 4.3Å; F16-F56 AromaticContact CD1-CE2 3.8Å; F16-F56 HydrophobicContact CD1-CE2 3.8Å; F16-F56 HydrophobicContact CE1-CD2 4.17Å; F16-F56 AromaticContact CE1-CE2 3.59Å; F16-F56 HydrophobicContact CE1-CE2 3.59Å; F16-F56 HydrophobicContact CE2-CE2 4.33Å; F16-F56 HydrophobicContact CG-CE2 4.26Å; F16-F56 AromaticContact CZ-CE2 3.87Å; F16-F56 HydrophobicContact CZ-CE2 3.87Å; F16-R60 VanDerWaalsContact CZ-NH2 3.31Å |
| 17 | Q | 90.9 | Very high | 88.7 | Confident | 127 Ų | 127 | 59 Ų | 59 | 59% | 0.593 | 30% | 0.3 | S | S | * | . | trans | -126.2 | 62.2 | -176.4 | -66.8 | -174.5 | -53.2 | 0 | 0 | 111.2 | R15 F21 D22 | R15-Q17 HydrophobicContact CB-CG 4.09Å; R15-Q17 PolarHBondContact O-N 3.11Å; Q17-F21 CarbonylContact C-O 3.54Å; Q17-F21 VanDerWaalsContact CA-O 3.23Å; Q17-F21 WeakPolarHBondContact CA-O 3.34Å; Q17-D22 HydrophobicContact CG-CB 4.46Å; Q17-D22 PolarHBondContact NE2-OD2 2.9Å | ||
| 18 | Q | 91.6 | Very high | 89.9 | Confident | 117 Ų | 117 | 57.9 Ų | 57.9 | 55% | 0.547 | 29% | 0.288 | S | S | . | . | trans | -139.5 | 153.4 | -177.2 | -57.6 | 176.8 | 9.7 | 0 | 0 | 110.8 | F16 G20 F21 | F16-Q18 HydrophobicContact CE1-CB 3.79Å; F16-Q18 WeakPolarHBondContact CE1-O 3.26Å; F16-Q18 HydrophobicContact CE2-CB 4.41Å; F16-Q18 HydrophobicContact CZ-CB 3.7Å; F16-Q18 HydrophobicContact CZ-CG 4.26Å; Q18-G20 VanDerWaalsContact C-N 3.27Å; Q18-G20 PolarHBondContact O-N 2.88Å; Q18-F21 PolarHBondContact N-O 3.35Å; Q18-F21 WeakPolarHBondContact O-CB 3.28Å; Q18-F21 PolarHBondContact O-N 3.37Å | ||
| 19 | D | 91.2 | Very high | 91 | Very high | 117 Ų | 117 | 54.5 Ų | 54.5 | 63% | 0.626 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 43.5 | 175.5 | -53.3 | -32 | 0 | 0 | 0 | 114.3 | F21 R60 | D19-F21 VanDerWaalsContact C-N 3.3Å; D19-F21 VanDerWaalsContact O-CD2 3.24Å; D19-F21 WeakPolarHBondContact O-CD2 3.18Å; D19-F21 WeakPolarHBondContact O-CE2 3.47Å; D19-F21 PolarHBondContact O-N 3.48Å; D19-R60 VanDerWaalsContact CB-NH2 3.34Å; D19-R60 VanDerWaalsContact CG-NH2 3.3Å; D19-R60 IonicContact OD2-CZ 3.52Å; D19-R60 IonicContact OD2-NH1 2.82Å; D19-R60 PolarHBondContact OD2-NH1 3.3Å; D19-R60 IonicContact OD2-NH2 3.85Å; D19-R60 PolarHBondContact OD2-NH2 2.87Å |
| 20 | G | 91.2 | Very high | 91.9 | Very high | 68 Ų | 68 | 57.4 Ų | 57.4 | 70% | 0.701 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 9.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q18 R55 | Q18-G20 VanDerWaalsContact C-N 3.27Å; Q18-G20 PolarHBondContact O-N 2.88Å; G20-R55 PolarHBondContact O-NH2 3.21Å; G20-R55 VanDerWaalsContact O-NH2 3.16Å |
| 21 | F | 93.2 | Very high | 93 | Very high | 15 Ų | 15 | 60 Ų | 60 | 7% | 0.066 | 30% | 0.299 | C | S | . | . | trans | -101.9 | 141.4 | 172.8 | -63 | -81.9 | 0 | 0 | 0 | 111.3 | F16 Q17 Q18 D19 L23 R55 F56 | F16-F21 HydrophobicContact CD1-CB 3.91Å; F16-F21 HydrophobicContact CE1-CB 4.08Å; F16-F21 HydrophobicContact CE1-CD2 4.45Å; Q17-F21 CarbonylContact C-O 3.54Å; Q17-F21 VanDerWaalsContact CA-O 3.23Å; Q17-F21 WeakPolarHBondContact CA-O 3.34Å; Q18-F21 PolarHBondContact N-O 3.35Å; Q18-F21 WeakPolarHBondContact O-CB 3.28Å; Q18-F21 PolarHBondContact O-N 3.37Å; D19-F21 VanDerWaalsContact C-N 3.3Å; D19-F21 VanDerWaalsContact O-CD2 3.24Å; D19-F21 WeakPolarHBondContact O-CD2 3.18Å; D19-F21 WeakPolarHBondContact O-CE2 3.47Å; D19-F21 PolarHBondContact O-N 3.48Å; F21-L23 HydrophobicContact CB-CD1 4.45Å; F21-L23 HydrophobicContact CB-CG 4.5Å; F21-L23 HydrophobicContact CD1-CD1 4.16Å; F21-R55 HydrophobicContact CE1-CB 4.12Å; F21-R55 HydrophobicContact CE1-CG 4.03Å; F21-R55 HydrophobicContact CZ-CG 4.07Å; F21-F56 HydrophobicContact CD1-CB 3.79Å; F21-F56 HydrophobicContact CD1-CD2 4.14Å; F21-F56 HydrophobicContact CD1-CG 4.47Å; F21-F56 HydrophobicContact CD2-CD2 4.1Å; F21-F56 HydrophobicContact CE1-CB 3.56Å; F21-F56 HydrophobicContact CE1-CD2 4.39Å; F21-F56 HydrophobicContact CE1-CG 4.5Å; F21-F56 HydrophobicContact CE2-CD2 4.36Å; F21-F56 HydrophobicContact CG-CB 4.48Å; F21-F56 AromaticContact CG-CD2 3.98Å; F21-F56 HydrophobicContact CG-CD2 3.98Å; F21-F56 HydrophobicContact CZ-CB 4.09Å; F21-F56 HydrophobicContact CZ-CD2 4.5Å | ||
| 22 | D | 92.9 | Very high | 93.7 | Very high | 47 Ų | 47 | 50.2 Ų | 50.2 | 25% | 0.251 | 26% | 0.261 | S | S | . | . | trans | -131.5 | 89 | 165 | -178.3 | -3.6 | 0 | 0 | 0 | 108.8 | R15 F16 Q17 | R15-D22 IonicContact CZ-OD1 3.95Å; R15-D22 IonicContact NE-OD1 2.85Å; R15-D22 PolarHBondContact NE-OD1 3.29Å; R15-D22 PolarHBondContact NH2-O 3.03Å; R15-D22 IonicContact NH2-OD1 3.22Å; R15-D22 PolarHBondContact NH2-OD1 2.84Å; F16-D22 WeakPolarHBondContact O-CA 3.43Å; Q17-D22 HydrophobicContact CG-CB 4.46Å; Q17-D22 PolarHBondContact NE2-OD2 2.9Å | ||
| 23 | L | 94.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -120.9 | 138.9 | -173.6 | -67.1 | 175 | 0 | 0 | 0 | 111.6 | R15 F16 F21 L25 N48 D52 V53 F56 | R15-L23 CarbonylContact C-O 3.57Å; R15-L23 WeakPolarHBondContact CA-O 3.46Å; R15-L23 WeakPolarHBondContact CB-O 3.22Å; F16-L23 PolarHBondContact N-O 3.43Å; F16-L23 PolarHBondContact O-N 3.49Å; F21-L23 HydrophobicContact CB-CD1 4.45Å; F21-L23 HydrophobicContact CB-CG 4.5Å; F21-L23 HydrophobicContact CD1-CD1 4.16Å; L23-L25 HydrophobicContact CB-CB 3.93Å; L23-L25 PolarHBondContact O-N 2.92Å; L23-N48 HydrophobicContact CD2-CB 3.94Å; L23-D52 HydrophobicContact CD2-CB 3.73Å; L23-V53 HydrophobicContact CD2-CG2 4.03Å; L23-F56 HydrophobicContact CD1-CB 3.63Å; L23-F56 HydrophobicContact CD1-CD1 4.45Å; L23-F56 HydrophobicContact CD1-CD2 4.06Å; L23-F56 HydrophobicContact CD1-CG 3.79Å |
| 24 | D | 94.9 | Very high | 94.8 | Very high | 11 Ų | 11 | 43.9 Ų | 43.9 | 6% | 0.059 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -71 | 76.7 | 162.9 | -179.6 | 25.8 | 0 | 0 | 0 | 109.4 | K13 M35 G36 N48 R159 | K13-D24 IonicContact NZ-OD1 3.34Å; K13-D24 IonicContact NZ-OD2 2.61Å; K13-D24 PolarHBondContact NZ-OD2 2.88Å; D24-M35 WeakPolarHBondContact O-CA 3.33Å; D24-G36 PolarHBondContact O-N 3.22Å; D24-N48 WeakPolarHBondContact CB-OD1 3.3Å; D24-N48 PolarHBondContact N-OD1 2.57Å; D24-N48 PolarHBondContact O-ND2 2.72Å; D24-R159 IonicContact OD1-CZ 3.84Å; D24-R159 IonicContact OD1-NH1 2.91Å; D24-R159 PolarHBondContact OD1-NH1 2.9Å; D24-R159 VanDerWaalsContact OD1-NH1 3.08Å; D24-R159 IonicContact OD1-NH2 2.78Å; D24-R159 PolarHBondContact OD1-NH2 3.48Å; D24-R159 IonicContact OD2-NH2 3.92Å |
| 25 | L | 95 | Very high | 95.1 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 142.2 | -172.1 | -178.5 | 151.3 | 0 | 0 | 0 | 108 | F16 L23 Y27 I33 A34 M35 F56 | F16-L25 HydrophobicContact CB-CB 4.3Å; F16-L25 HydrophobicContact CB-CD2 4.13Å; F16-L25 WeakPolarHBondContact CB-O 3.35Å; F16-L25 HydrophobicContact CD2-CD2 4.45Å; F16-L25 HydrophobicContact CG-CD2 4.39Å; F16-L25 PolarHBondContact N-O 3.27Å; F16-L25 VanDerWaalsContact N-O 3.16Å; L23-L25 HydrophobicContact CB-CB 3.93Å; L23-L25 PolarHBondContact O-N 2.92Å; L25-Y27 HydrophobicContact CD2-CD2 4.33Å; L25-Y27 HydrophobicContact CD2-CE2 4.27Å; L25-I33 HydrophobicContact CD1-CG2 3.68Å; L25-I33 HydrophobicContact CD2-CG2 3.65Å; L25-I33 HydrophobicContact CG-CG2 3.42Å; L25-I33 VanDerWaalsContact CG-CG2 3.42Å; L25-A34 CarbonylContact C-O 3.5Å; L25-A34 WeakPolarHBondContact CA-O 3.39Å; L25-M35 HydrophobicContact CB-CB 4.04Å; L25-M35 HydrophobicContact CD1-CB 4.07Å; L25-M35 HydrophobicContact CD1-SD 4.18Å; L25-M35 HydrophobicContact CG-CB 4Å; L25-F56 HydrophobicContact CD1-CD1 3.94Å; L25-F56 HydrophobicContact CD1-CE1 3.66Å; L25-F56 HydrophobicContact CD1-CZ 4.22Å; L25-F56 HydrophobicContact CD2-CE1 4.07Å; L25-F56 HydrophobicContact CD2-CZ 3.84Å |
| 26 | S | 97 | Very high | 95.2 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 134.2 | 175.6 | -45.8 | 0 | 0 | 0 | 0 | 109.3 | K14 I28 I33 A34 R159 | K14-S26 PolarHBondContact O-OG 3.09Å; S26-I28 PolarHBondContact O-N 2.99Å; S26-I33 WeakPolarHBondContact O-CA 3.47Å; S26-A34 PolarHBondContact N-O 3.04Å; S26-A34 PolarHBondContact O-N 3.13Å; S26-R159 WeakPolarHBondContact OG-CD 3.29Å; S26-R159 PolarHBondContact OG-NH1 3.42Å |
| 27 | Y | 97.6 | Very high | 95.3 | Very high | 64 Ų | 64 | 37.8 Ų | 37.8 | 25% | 0.251 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 115.1 | 163 | -73.1 | -97.4 | 0 | 0 | 0 | 107.3 | F16 L25 I33 F56 H61 | F16-Y27 HydrophobicContact CD2-CD2 4.39Å; F16-Y27 HydrophobicContact CD2-CE2 4.24Å; F16-Y27 HydrophobicContact CE2-CD2 4.4Å; F16-Y27 AromaticContact CE2-CE2 3.99Å; F16-Y27 HydrophobicContact CE2-CE2 3.99Å; L25-Y27 HydrophobicContact CD2-CD2 4.33Å; L25-Y27 HydrophobicContact CD2-CE2 4.27Å; Y27-I33 HydrophobicContact CD1-CD1 4.18Å; Y27-I33 HydrophobicContact CD1-CG1 3.64Å; Y27-I33 HydrophobicContact CE1-CD1 3.67Å; Y27-I33 HydrophobicContact CE1-CG1 3.68Å; Y27-I33 HydrophobicContact CG-CG1 4.14Å; Y27-F56 AromaticContact CE2-CZ 3.82Å; Y27-F56 HydrophobicContact CE2-CZ 3.82Å; Y27-F56 AromaticContact CZ-CZ 3.98Å; Y27-F56 WeakPolarHBondContact OH-CZ 3.33Å; Y27-H61 AromaticContact CE1-CE1 3.96Å; Y27-H61 AromaticContact CE1-NE2 3.7Å; Y27-H61 AromaticContact CZ-NE2 3.58Å; Y27-H61 PolarHBondContact OH-CE1 3.19Å; Y27-H61 PolarHBondContact OH-NE2 3.02Å |
| 28 | I | 98 | Very high | 95.4 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -82.4 | -46.4 | 176.4 | -55.9 | -57.9 | 0 | 0 | 0 | 108.9 | S26 I32 A34 V135 L139 F154 Y155 Q158 R159 | S26-I28 PolarHBondContact O-N 2.99Å; I28-I32 PolarHBondContact N-O 3.03Å; I28-A34 HydrophobicContact CD1-CB 3.88Å; I28-A34 HydrophobicContact CG1-CB 3.57Å; I28-V135 HydrophobicContact CB-CG1 4.14Å; I28-V135 HydrophobicContact CG1-CG1 4.12Å; I28-V135 HydrophobicContact CG2-CG1 3.77Å; I28-L139 HydrophobicContact CG2-CD1 4.05Å; I28-F154 HydrophobicContact CG2-CD1 4.09Å; I28-F154 HydrophobicContact CG2-CE1 3.86Å; I28-F154 WeakPolarHBondContact O-CE1 3.47Å; I28-F154 WeakPolarHBondContact O-CZ 3.47Å; I28-Y155 HydrophobicContact CD1-CD2 3.87Å; I28-Y155 HydrophobicContact CD1-CE2 3.94Å; I28-Y155 HydrophobicContact CG1-CD2 4.08Å; I28-Y155 HydrophobicContact CG1-CE2 4.19Å; I28-Y155 HydrophobicContact CG2-CD2 4.19Å; I28-Q158 HydrophobicContact CD1-CB 3.81Å; I28-Q158 HydrophobicContact CG2-CB 4.35Å; I28-R159 HydrophobicContact CD1-CB 3.93Å |
| 29 | S | 96.2 | Very high | 95.4 | Very high | 20 Ų | 20 | 26.2 Ų | 26.2 | 14% | 0.14 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -122.5 | -178.4 | 163.1 | 72.8 | 0 | 0 | 0 | 0 | 109.3 | R31 I32 | S29-R31 PolarHBondContact O-N 3.28Å; S29-R31 VanDerWaalsContact O-N 3.15Å; S29-R31 PolarHBondContact OG-N 3.07Å; S29-I32 PolarHBondContact N-O 3.28Å; S29-I32 PolarHBondContact OG-N 3.06Å |
| 30 | T | 96.3 | Very high | 95.2 | Very high | 122 Ų | 122 | 23.5 Ų | 23.5 | 75% | 0.748 | 14% | 0.141 | S | C | * | . | S | Bend | trans | -57.3 | -28.4 | 176.5 | 50.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 31 | R | 98 | Very high | 94.6 | Very high | 63 Ų | 63 | 28.5 Ų | 28.5 | 24% | 0.238 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -120.5 | -4.3 | -172.6 | -56.2 | -179.7 | 67.4 | -166.8 | 2 | 114.6 | S29 L112 D115 P116 N118 V119 V120 | S29-R31 PolarHBondContact O-N 3.28Å; S29-R31 VanDerWaalsContact O-N 3.15Å; S29-R31 PolarHBondContact OG-N 3.07Å; R31-L112 HydrophobicContact CB-CD2 4.14Å; R31-L112 VanDerWaalsContact CZ-O 3.32Å; R31-L112 PolarHBondContact NH1-O 3.44Å; R31-L112 PolarHBondContact NH2-O 2.92Å; R31-D115 PolarHBondContact NH2-O 3.3Å; R31-P116 PolarHBondContact NE-O 3.4Å; R31-N118 VanDerWaalsContact CZ-O 3.3Å; R31-N118 PolarHBondContact NE-O 2.63Å; R31-N118 PolarHBondContact NH2-O 3.25Å; R31-V119 CarbonylContact O-C 3.59Å; R31-V119 WeakPolarHBondContact O-CA 3.42Å; R31-V120 PolarHBondContact O-N 2.68Å |
| 32 | I | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 120.2 | 176.9 | -60 | 176.1 | 0 | 0 | 0 | 110.3 | I28 S29 V120 V135 C138 L139 L142 | I28-I32 PolarHBondContact N-O 3.03Å; S29-I32 PolarHBondContact N-O 3.28Å; S29-I32 PolarHBondContact OG-N 3.06Å; I32-V120 HydrophobicContact CB-CG2 4.28Å; I32-V120 HydrophobicContact CG1-CG2 3.85Å; I32-V120 HydrophobicContact CG2-CG2 4.28Å; I32-V135 HydrophobicContact CG2-CG1 4.07Å; I32-V135 HydrophobicContact CG2-CG2 4.06Å; I32-C138 HydrophobicContact CD1-CB 3.93Å; I32-L139 HydrophobicContact CD1-CD2 4.07Å; I32-L139 HydrophobicContact CD1-CG 4.47Å; I32-L142 HydrophobicContact CD1-CD1 3.72Å; I32-L142 HydrophobicContact CG1-CD1 4.45Å |
| 33 | I | 98.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 131.3 | 175.2 | -64.2 | 167.3 | 0 | 0 | 0 | 109.5 | L25 S26 Y27 F56 V119 V120 A121 I122 | L25-I33 HydrophobicContact CD1-CG2 3.68Å; L25-I33 HydrophobicContact CD2-CG2 3.65Å; L25-I33 HydrophobicContact CG-CG2 3.42Å; L25-I33 VanDerWaalsContact CG-CG2 3.42Å; S26-I33 WeakPolarHBondContact O-CA 3.47Å; Y27-I33 HydrophobicContact CD1-CD1 4.18Å; Y27-I33 HydrophobicContact CD1-CG1 3.64Å; Y27-I33 HydrophobicContact CE1-CD1 3.67Å; Y27-I33 HydrophobicContact CE1-CG1 3.68Å; Y27-I33 HydrophobicContact CG-CG1 4.14Å; I33-F56 HydrophobicContact CD1-CE1 4.27Å; I33-V119 HydrophobicContact CD1-CG2 4.42Å; I33-V120 WeakPolarHBondContact CB-O 3.4Å; I33-V120 PolarHBondContact N-O 2.97Å; I33-A121 HydrophobicContact CB-CB 4.2Å; I33-A121 HydrophobicContact CG2-CB 4.34Å; I33-A121 WeakPolarHBondContact O-CA 3.26Å; I33-I122 PolarHBondContact O-N 2.88Å |
| 34 | A | 98.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | L25 S26 I28 T131 V135 Y155 | L25-A34 CarbonylContact C-O 3.5Å; L25-A34 WeakPolarHBondContact CA-O 3.39Å; S26-A34 PolarHBondContact N-O 3.04Å; S26-A34 PolarHBondContact O-N 3.13Å; I28-A34 HydrophobicContact CD1-CB 3.88Å; I28-A34 HydrophobicContact CG1-CB 3.57Å; A34-T131 HydrophobicContact CB-CG2 3.69Å; A34-V135 HydrophobicContact CB-CG2 4.35Å; A34-Y155 HydrophobicContact CB-CE2 4.04Å |
| 35 | M | 97.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 157.3 | -177.2 | 67.2 | -178.9 | 178.5 | 0 | 0 | 114.2 | D24 L25 V53 I67 A121 I122 N123 G127 | D24-M35 WeakPolarHBondContact O-CA 3.33Å; L25-M35 HydrophobicContact CB-CB 4.04Å; L25-M35 HydrophobicContact CD1-CB 4.07Å; L25-M35 HydrophobicContact CD1-SD 4.18Å; L25-M35 HydrophobicContact CG-CB 4Å; M35-V53 HydrophobicContact CE-CG1 4.45Å; M35-V53 HydrophobicContact SD-CG1 3.99Å; M35-I67 HydrophobicContact CE-CG2 3.91Å; M35-A121 HydrophobicContact CE-CB 3.76Å; M35-A121 HydrophobicContact SD-CB 4.15Å; M35-I122 PolarHBondContact N-O 3.31Å; M35-N123 HydrophobicContact CE-CB 3.79Å; M35-N123 HydrophobicContact CG-CB 3.53Å; M35-N123 WeakPolarHBondContact O-CA 3.23Å; M35-N123 HydrophobicContact SD-CB 4.49Å; M35-G127 WeakPolarHBondContact O-CA 3.47Å |
| 36 | G | 94.6 | Very high | 88.8 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | trans | -70 | 171.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D24 C124 | D24-G36 PolarHBondContact O-N 3.22Å; G36-C124 CarbonylContact C-O 3.47Å | ||
| 37 | F | 94.4 | Very high | 88.3 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | trans | -63.1 | 130.2 | -178.3 | -175.5 | -104.5 | 0 | 0 | 0 | 112.4 | A39 H69 R74 D75 F76 C124 K125 | F37-A39 HydrophobicContact CD1-CB 3.93Å; F37-A39 HydrophobicContact CE1-CB 4.31Å; F37-A39 PolarHBondContact O-N 3.21Å; F37-A39 VanDerWaalsContact O-N 3.09Å; F37-H69 AromaticContact CD2-CE1 3.73Å; F37-H69 AromaticContact CE2-CE1 3.6Å; F37-H69 AromaticContact CE2-NE2 3.94Å; F37-R74 HydrophobicContact CD2-CB 4.46Å; F37-R74 HydrophobicContact CE1-CB 4.48Å; F37-R74 HydrophobicContact CE2-CB 3.78Å; F37-R74 HydrophobicContact CZ-CB 3.81Å; F37-D75 WeakPolarHBondContact CZ-O 3.41Å; F37-F76 HydrophobicContact CD2-CD1 4.44Å; F37-F76 AromaticContact CE2-CD1 3.74Å; F37-F76 HydrophobicContact CE2-CD1 3.74Å; F37-F76 HydrophobicContact CE2-CE1 4.36Å; F37-F76 HydrophobicContact CZ-CB 4.49Å; F37-F76 HydrophobicContact CZ-CD1 4.09Å; F37-C124 WeakPolarHBondContact CA-O 3.46Å; F37-C124 WeakPolarHBondContact CB-O 3.35Å; F37-C124 PolarHBondContact N-O 2.94Å; F37-K125 PolarHBondContact N-O 3.38Å | ||
| 38 | P | 94.2 | Very high | 88 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 95.3 | 171.8 | 31.3 | -32.6 | 0 | 0 | 0 | 109.1 | I50 V53 F76 F81 N123 | P38-I50 HydrophobicContact CB-CB 4.27Å; P38-I50 HydrophobicContact CB-CD1 4.46Å; P38-I50 HydrophobicContact CB-CG1 4.11Å; P38-V53 HydrophobicContact CB-CB 4.43Å; P38-V53 HydrophobicContact CB-CG2 4.18Å; P38-F76 HydrophobicContact CG-CD1 3.57Å; P38-F76 HydrophobicContact CG-CE1 3.56Å; P38-F76 HydrophobicContact CG-CG 4.09Å; P38-F76 HydrophobicContact CG-CZ 4.09Å; P38-F81 HydrophobicContact CB-CZ 4.17Å; P38-F81 HydrophobicContact CG-CZ 4.26Å; P38-N123 WeakPolarHBondContact CD-ND2 3.49Å |
| 39 | A | 91.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 149 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F37 E43 R47 N48 I50 | F37-A39 HydrophobicContact CD1-CB 3.93Å; F37-A39 HydrophobicContact CE1-CB 4.31Å; F37-A39 PolarHBondContact O-N 3.21Å; F37-A39 VanDerWaalsContact O-N 3.09Å; A39-E43 HydrophobicContact CB-CB 3.64Å; A39-R47 HydrophobicContact CB-CB 3.95Å; A39-N48 PolarHBondContact N-O 2.99Å; A39-I50 PolarHBondContact O-N 3.4Å |
| 40 | V | 86 | Confident | 87.7 | Confident | 61 Ų | 61 | 41.6 Ų | 41.6 | 37% | 0.37 | 21% | 0.208 | S | C | . | . | trans | -104.4 | 152 | 175.6 | -160.9 | 0 | 0 | 0 | 0 | 109.3 | I50 | V40-I50 HydrophobicContact CG2-CG2 4.22Š| ||
| 41 | K | 78.9 | Confident | 87.6 | Confident | 173 Ų | 173 | 39.2 Ų | 39.2 | 75% | 0.752 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | 60.9 | -142.7 | 174.4 | -48 | -176.2 | -179.5 | 177.6 | 0 | 111.9 | E43 G44 | K41-E43 PolarHBondContact O-N 3.49Å; K41-E43 VanDerWaalsContact O-N 3.17Å; K41-G44 PolarHBondContact O-N 3.41Å |
| 42 | L | 71.6 | Confident | 87.4 | Confident | 143 Ų | 143 | 38.2 Ų | 38.2 | 75% | 0.749 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -58.8 | -26.9 | -176.2 | -64.2 | 172 | 0 | 0 | 0 | 113.5 | G44 V45 | L42-G44 PolarHBondContact O-N 3.19Å; L42-V45 WeakPolarHBondContact O-CB 3.38Å; L42-V45 WeakPolarHBondContact O-CG2 3.49Å; L42-V45 PolarHBondContact O-N 3.48Å; L42-V45 VanDerWaalsContact O-N 3.12Å |
| 43 | E | 76.1 | Confident | 87.3 | Confident | 55 Ų | 55 | 38.2 Ų | 38.2 | 26% | 0.257 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -63.4 | -28.1 | 174.7 | -70.3 | -148.8 | 146.3 | 0 | 0 | 112.2 | A39 K41 V45 Y46 R47 R74 | A39-E43 HydrophobicContact CB-CB 3.64Å; K41-E43 PolarHBondContact O-N 3.49Å; K41-E43 VanDerWaalsContact O-N 3.17Å; E43-V45 PolarHBondContact O-N 3.31Å; E43-Y46 HydrophobicContact CB-CE1 4.29Å; E43-Y46 HydrophobicContact CG-CE1 4.41Å; E43-Y46 WeakPolarHBondContact CG-OH 3.47Å; E43-Y46 PolarHBondContact O-N 3.04Å; E43-Y46 PolarHBondContact OE1-OH 3.33Å; E43-R47 WeakPolarHBondContact O-CB 3.36Å; E43-R47 PolarHBondContact O-N 3.28Å; E43-R74 IonicContact OE1-CZ 3.51Å; E43-R74 IonicContact OE1-NH1 3.76Å; E43-R74 PolarHBondContact OE1-NH1 2.8Å; E43-R74 IonicContact OE1-NH2 3.19Å; E43-R74 PolarHBondContact OE1-NH2 2.72Å; E43-R74 IonicContact OE2-CZ 3.56Å; E43-R74 IonicContact OE2-NH1 2.73Å; E43-R74 PolarHBondContact OE2-NH1 3.04Å |
| 44 | G | 61.6 | Low | 87.2 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -68.9 | -12.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | K6 K41 L42 Y46 | K6-G44 WeakPolarHBondContact CE-O 3.14Å; K41-G44 PolarHBondContact O-N 3.41Å; L42-G44 PolarHBondContact O-N 3.19Å; G44-Y46 VanDerWaalsContact C-N 3.31Å |
| 45 | V | 65.5 | Low | 87.1 | Confident | 84 Ų | 84 | 45 Ų | 45 | 51% | 0.509 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -69.9 | -32.1 | 176.3 | -176.3 | 0 | 0 | 0 | 0 | 111 | L5 K6 L42 E43 | L5-V45 HydrophobicContact CD2-CG1 4.02Å; K6-V45 WeakPolarHBondContact CG-O 3.5Å; L42-V45 WeakPolarHBondContact O-CB 3.38Å; L42-V45 WeakPolarHBondContact O-CG2 3.49Å; L42-V45 PolarHBondContact O-N 3.48Å; L42-V45 VanDerWaalsContact O-N 3.12Å; E43-V45 PolarHBondContact O-N 3.31Å |
| 46 | Y | 75.4 | Confident | 87.2 | Confident | 69 Ų | 69 | 45 Ų | 45 | 27% | 0.271 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -4.5 | -179.4 | 67.1 | -96 | 0 | 0 | 0 | 114 | V9 E43 G44 | V9-Y46 WeakPolarHBondContact CB-O 3.28Å; V9-Y46 HydrophobicContact CG1-CD2 4.26Å; V9-Y46 HydrophobicContact CG2-CD2 3.94Å; V9-Y46 HydrophobicContact CG2-CG 4.32Å; E43-Y46 HydrophobicContact CB-CE1 4.29Å; E43-Y46 HydrophobicContact CG-CE1 4.41Å; E43-Y46 WeakPolarHBondContact CG-OH 3.47Å; E43-Y46 PolarHBondContact O-N 3.04Å; E43-Y46 PolarHBondContact OE1-OH 3.33Å; G44-Y46 VanDerWaalsContact C-N 3.31Å |
| 47 | R | 86.8 | Confident | 87.3 | Confident | 32 Ų | 32 | 45 Ų | 45 | 12% | 0.121 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -120.9 | -167.3 | 173.3 | -61.6 | -169.9 | 167.8 | -156.5 | -3.2 | 111.1 | K6 A39 E43 H49 K125 | K6-R47 WeakPolarHBondContact CE-O 3.39Å; A39-R47 HydrophobicContact CB-CB 3.95Å; E43-R47 WeakPolarHBondContact O-CB 3.36Å; E43-R47 PolarHBondContact O-N 3.28Å; R47-H49 PolarHBondContact O-N 3.42Å; R47-K125 VanDerWaalsContact NH1-CG 3.27Å; R47-K125 PolarHBondContact NH1-O 2.93Å; R47-K125 VanDerWaalsContact NH1-O 3.16Å; R47-K125 VanDerWaalsContact NH2-CE 3.31Å |
| 48 | N | 90 | Very high | 87.4 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 122.5 | 169 | -65.7 | -9.4 | 0 | 0 | 0 | 108.2 | L23 D24 A39 V53 | L23-N48 HydrophobicContact CD2-CB 3.94Å; D24-N48 WeakPolarHBondContact CB-OD1 3.3Å; D24-N48 PolarHBondContact N-OD1 2.57Å; D24-N48 PolarHBondContact O-ND2 2.72Å; A39-N48 PolarHBondContact N-O 2.99Å; N48-V53 HydrophobicContact CB-CG2 3.63Å |
| 49 | H | 92.5 | Very high | 87.5 | Confident | 56 Ų | 56 | 51.5 Ų | 51.5 | 26% | 0.259 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 133.2 | 168.5 | -164 | -87 | 0 | 0 | 0 | 108 | R47 D51 D52 V53 | R47-H49 PolarHBondContact O-N 3.42Å; H49-D51 IonicContact CE1-OD2 3.08Å; H49-D51 PolarHBondContact CE1-OD2 3.5Å; H49-D51 PolarHBondContact ND1-N 3.01Å; H49-D51 IonicContact ND1-OD2 3.42Å; H49-D51 PolarHBondContact ND1-OD2 3.41Å; H49-D51 PolarHBondContact O-N 2.94Å; H49-D52 HydrophobicContact CB-CB 4.49Å; H49-D52 WeakPolarHBondContact CB-OD2 3.38Å; H49-D52 WeakPolarHBondContact O-CB 3.5Å; H49-D52 PolarHBondContact O-N 2.93Å; H49-V53 PolarHBondContact O-N 3.16Å |
| 50 | I | 94.6 | Very high | 87.8 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.1 | -39.4 | -175.1 | -172.2 | 160.7 | 0 | 0 | 0 | 112.3 | P38 A39 V40 D52 V53 V54 F76 R80 F81 | P38-I50 HydrophobicContact CB-CB 4.27Å; P38-I50 HydrophobicContact CB-CD1 4.46Å; P38-I50 HydrophobicContact CB-CG1 4.11Å; A39-I50 PolarHBondContact O-N 3.4Å; V40-I50 HydrophobicContact CG2-CG2 4.22Å; I50-D52 VanDerWaalsContact C-N 3.31Å; I50-D52 PolarHBondContact O-N 2.87Å; I50-V53 PolarHBondContact O-N 2.99Å; I50-V53 VanDerWaalsContact O-N 3.11Å; I50-V54 HydrophobicContact CG1-CG2 4.26Å; I50-V54 WeakPolarHBondContact O-CG2 3.37Å; I50-V54 PolarHBondContact O-N 3Å; I50-F76 HydrophobicContact CD1-CB 4.07Å; I50-F76 HydrophobicContact CD1-CD2 4.42Å; I50-F76 HydrophobicContact CD1-CG 4.43Å; I50-R80 HydrophobicContact CD1-CB 3.98Å; I50-R80 HydrophobicContact CD1-CG 4.09Å; I50-R80 HydrophobicContact CG1-CB 4.42Å; I50-F81 HydrophobicContact CD1-CE2 3.98Å; I50-F81 HydrophobicContact CD1-CZ 4.18Å; I50-F81 HydrophobicContact CG1-CE2 4.25Å; I50-F81 HydrophobicContact CG1-CZ 3.94Å |
| 51 | D | 94.2 | Very high | 88.3 | Confident | 73 Ų | 73 | 53.9 Ų | 53.9 | 39% | 0.39 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.4 | -36.7 | 177 | -69.9 | -54.4 | 0 | 0 | 0 | 113.5 | H49 V53 V54 R55 R80 | H49-D51 IonicContact CE1-OD2 3.08Å; H49-D51 PolarHBondContact CE1-OD2 3.5Å; H49-D51 PolarHBondContact ND1-N 3.01Å; H49-D51 IonicContact ND1-OD2 3.42Å; H49-D51 PolarHBondContact ND1-OD2 3.41Å; H49-D51 PolarHBondContact O-N 2.94Å; D51-V53 VanDerWaalsContact C-N 3.31Å; D51-V53 PolarHBondContact O-N 2.98Å; D51-V54 PolarHBondContact O-N 3.37Å; D51-R55 VanDerWaalsContact O-CB 3.26Å; D51-R55 WeakPolarHBondContact O-CB 3.35Å; D51-R55 PolarHBondContact O-N 2.86Å; D51-R80 IonicContact OD1-CZ 3.7Å; D51-R80 IonicContact OD1-NH2 2.57Å; D51-R80 PolarHBondContact OD1-NH2 2.85Å; D51-R80 IonicContact OD2-NH2 3.01Å; D51-R80 PolarHBondContact OD2-NH2 2.87Å |
| 52 | D | 95.1 | Very high | 89.2 | Confident | 41 Ų | 41 | 47.8 Ų | 47.8 | 22% | 0.219 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.6 | -36.4 | 176.7 | -64.9 | -30.2 | 0 | 0 | 0 | 110.7 | K6 L23 H49 I50 F56 | K6-D52 IonicContact NZ-OD2 2.79Å; L23-D52 HydrophobicContact CD2-CB 3.73Å; H49-D52 HydrophobicContact CB-CB 4.49Å; H49-D52 WeakPolarHBondContact CB-OD2 3.38Å; H49-D52 WeakPolarHBondContact O-CB 3.5Å; H49-D52 PolarHBondContact O-N 2.93Å; I50-D52 VanDerWaalsContact C-N 3.31Å; I50-D52 PolarHBondContact O-N 2.87Å; D52-F56 VanDerWaalsContact O-CB 3.22Å; D52-F56 WeakPolarHBondContact O-CB 3.36Å; D52-F56 PolarHBondContact O-N 3.2Å |
| 53 | V | 96.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.8 | -43.8 | 177.4 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | L23 M35 P38 N48 H49 I50 D51 F56 L57 F81 | L23-V53 HydrophobicContact CD2-CG2 4.03Å; M35-V53 HydrophobicContact CE-CG1 4.45Å; M35-V53 HydrophobicContact SD-CG1 3.99Å; P38-V53 HydrophobicContact CB-CB 4.43Å; P38-V53 HydrophobicContact CB-CG2 4.18Å; N48-V53 HydrophobicContact CB-CG2 3.63Å; H49-V53 PolarHBondContact O-N 3.16Å; I50-V53 PolarHBondContact O-N 2.99Å; I50-V53 VanDerWaalsContact O-N 3.11Å; D51-V53 VanDerWaalsContact C-N 3.31Å; D51-V53 PolarHBondContact O-N 2.98Å; V53-F56 WeakPolarHBondContact O-CB 3.14Å; V53-F56 PolarHBondContact O-N 2.94Å; V53-L57 HydrophobicContact CG1-CD1 4.06Å; V53-L57 HydrophobicContact CG1-CG 4.47Å; V53-L57 WeakPolarHBondContact O-CG 3.49Å; V53-L57 PolarHBondContact O-N 3.16Å; V53-F81 HydrophobicContact CB-CE1 4.48Å; V53-F81 HydrophobicContact CG1-CE1 4.02Å; V53-F81 HydrophobicContact CG1-CZ 4.37Å |
| 54 | V | 96.6 | Very high | 91.4 | Very high | 25 Ų | 25 | 47.3 Ų | 47.3 | 15% | 0.152 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.4 | -51 | 174.8 | 172.6 | 0 | 0 | 0 | 0 | 109.7 | I50 D51 F56 L57 Q58 R80 F81 | I50-V54 HydrophobicContact CG1-CG2 4.26Å; I50-V54 WeakPolarHBondContact O-CG2 3.37Å; I50-V54 PolarHBondContact O-N 3Å; D51-V54 PolarHBondContact O-N 3.37Å; V54-F56 VanDerWaalsContact C-N 3.3Å; V54-F56 PolarHBondContact O-N 3.06Å; V54-L57 PolarHBondContact O-N 3.05Å; V54-Q58 HydrophobicContact CG1-CG 4.43Å; V54-Q58 WeakPolarHBondContact O-CG 3.13Å; V54-Q58 PolarHBondContact O-N 2.7Å; V54-R80 WeakPolarHBondContact CG1-O 3.39Å; V54-R80 HydrophobicContact CG2-CB 4.3Å; V54-R80 WeakPolarHBondContact CG2-O 3.36Å; V54-F81 HydrophobicContact CB-CE1 4.47Å; V54-F81 HydrophobicContact CG2-CD1 3.68Å; V54-F81 HydrophobicContact CG2-CE1 3.5Å; V54-F81 HydrophobicContact CG2-CG 4.4Å; V54-F81 HydrophobicContact CG2-CZ 4.09Å |
| 55 | R | 96.7 | Very high | 93.2 | Very high | 119 Ų | 119 | 47.3 Ų | 47.3 | 45% | 0.449 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57 | -44.7 | 176.4 | -171.9 | -177.8 | 74.4 | -168.1 | 1.8 | 111.1 | G20 F21 D51 Q58 T59 | G20-R55 PolarHBondContact O-NH2 3.21Å; G20-R55 VanDerWaalsContact O-NH2 3.16Å; F21-R55 HydrophobicContact CE1-CB 4.12Å; F21-R55 HydrophobicContact CE1-CG 4.03Å; F21-R55 HydrophobicContact CZ-CG 4.07Å; D51-R55 VanDerWaalsContact O-CB 3.26Å; D51-R55 WeakPolarHBondContact O-CB 3.35Å; D51-R55 PolarHBondContact O-N 2.86Å; R55-Q58 PolarHBondContact O-N 3.21Å; R55-T59 VanDerWaalsContact O-CB 3.28Å; R55-T59 WeakPolarHBondContact O-CB 3.35Å; R55-T59 PolarHBondContact O-N 2.58Å; R55-T59 PolarHBondContact O-OG1 3.32Å |
| 56 | F | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.1 | -50.6 | 178.5 | 172.6 | -92.8 | 0 | 0 | 0 | 112.2 | F16 F21 L23 L25 Y27 I33 D52 V53 V54 Q58 T59 R60 | F16-F56 HydrophobicContact CD1-CD2 4.3Å; F16-F56 AromaticContact CD1-CE2 3.8Å; F16-F56 HydrophobicContact CD1-CE2 3.8Å; F16-F56 HydrophobicContact CE1-CD2 4.17Å; F16-F56 AromaticContact CE1-CE2 3.59Å; F16-F56 HydrophobicContact CE1-CE2 3.59Å; F16-F56 HydrophobicContact CE2-CE2 4.33Å; F16-F56 HydrophobicContact CG-CE2 4.26Å; F16-F56 AromaticContact CZ-CE2 3.87Å; F16-F56 HydrophobicContact CZ-CE2 3.87Å; F21-F56 HydrophobicContact CD1-CB 3.79Å; F21-F56 HydrophobicContact CD1-CD2 4.14Å; F21-F56 HydrophobicContact CD1-CG 4.47Å; F21-F56 HydrophobicContact CD2-CD2 4.1Å; F21-F56 HydrophobicContact CE1-CB 3.56Å; F21-F56 HydrophobicContact CE1-CD2 4.39Å; F21-F56 HydrophobicContact CE1-CG 4.5Å; F21-F56 HydrophobicContact CE2-CD2 4.36Å; F21-F56 HydrophobicContact CG-CB 4.48Å; F21-F56 AromaticContact CG-CD2 3.98Å; F21-F56 HydrophobicContact CG-CD2 3.98Å; F21-F56 HydrophobicContact CZ-CB 4.09Å; F21-F56 HydrophobicContact CZ-CD2 4.5Å; L23-F56 HydrophobicContact CD1-CB 3.63Å; L23-F56 HydrophobicContact CD1-CD1 4.45Å; L23-F56 HydrophobicContact CD1-CD2 4.06Å; L23-F56 HydrophobicContact CD1-CG 3.79Å; L25-F56 HydrophobicContact CD1-CD1 3.94Å; L25-F56 HydrophobicContact CD1-CE1 3.66Å; L25-F56 HydrophobicContact CD1-CZ 4.22Å; L25-F56 HydrophobicContact CD2-CE1 4.07Å; L25-F56 HydrophobicContact CD2-CZ 3.84Å; Y27-F56 AromaticContact CE2-CZ 3.82Å; Y27-F56 HydrophobicContact CE2-CZ 3.82Å; Y27-F56 AromaticContact CZ-CZ 3.98Å; Y27-F56 WeakPolarHBondContact OH-CZ 3.33Å; I33-F56 HydrophobicContact CD1-CE1 4.27Å; D52-F56 VanDerWaalsContact O-CB 3.22Å; D52-F56 WeakPolarHBondContact O-CB 3.36Å; D52-F56 PolarHBondContact O-N 3.2Å; V53-F56 WeakPolarHBondContact O-CB 3.14Å; V53-F56 PolarHBondContact O-N 2.94Å; V54-F56 VanDerWaalsContact C-N 3.3Å; V54-F56 PolarHBondContact O-N 3.06Å; F56-Q58 PolarHBondContact O-N 3.23Å; F56-T59 PolarHBondContact O-N 3.42Å; F56-R60 HydrophobicContact CD2-CG 4.17Å; F56-R60 HydrophobicContact CE2-CG 3.95Å; F56-R60 HydrophobicContact CZ-CG 4.27Å; F56-R60 WeakPolarHBondContact O-CB 3.49Å; F56-R60 WeakPolarHBondContact O-CG 3.46Å; F56-R60 PolarHBondContact O-N 3.4Å |
| 57 | L | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.7 | -39 | -178.7 | -69.5 | 172.4 | 0 | 0 | 0 | 111.5 | V53 V54 H61 A62 Y65 I67 F81 | V53-L57 HydrophobicContact CG1-CD1 4.06Å; V53-L57 HydrophobicContact CG1-CG 4.47Å; V53-L57 WeakPolarHBondContact O-CG 3.49Å; V53-L57 PolarHBondContact O-N 3.16Å; V54-L57 PolarHBondContact O-N 3.05Å; L57-H61 CarbonylContact O-C 3.21Å; L57-H61 VanDerWaalsContact O-CA 3.3Å; L57-H61 WeakPolarHBondContact O-CA 3.45Å; L57-H61 PolarHBondContact O-N 2.64Å; L57-A62 PolarHBondContact O-N 2.91Å; L57-Y65 HydrophobicContact CB-CD1 3.84Å; L57-Y65 HydrophobicContact CB-CD2 4.3Å; L57-Y65 HydrophobicContact CB-CE1 3.76Å; L57-Y65 HydrophobicContact CB-CE2 4.22Å; L57-Y65 HydrophobicContact CB-CG 4.11Å; L57-Y65 HydrophobicContact CD1-CD2 3.82Å; L57-Y65 HydrophobicContact CD1-CE2 3.78Å; L57-Y65 HydrophobicContact CD1-CG 4.35Å; L57-Y65 HydrophobicContact CD2-CD2 4.37Å; L57-Y65 HydrophobicContact CD2-CG 4.17Å; L57-Y65 HydrophobicContact CG-CD2 4.39Å; L57-Y65 HydrophobicContact CG-CG 4.44Å; L57-I67 HydrophobicContact CD1-CD1 3.73Å; L57-I67 HydrophobicContact CD1-CG1 4.18Å; L57-F81 HydrophobicContact CD1-CD1 4.03Å; L57-F81 HydrophobicContact CD1-CE1 3.98Å |
| 58 | Q | 96.2 | Very high | 96.4 | Very high | 48 Ų | 48 | 39.9 Ų | 39.9 | 22% | 0.224 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.1 | -39 | 176.2 | -67.8 | -54.2 | -15.1 | 0 | 0 | 113.3 | V54 R55 F56 A62 Y65 D82 | V54-Q58 HydrophobicContact CG1-CG 4.43Å; V54-Q58 WeakPolarHBondContact O-CG 3.13Å; V54-Q58 PolarHBondContact O-N 2.7Å; R55-Q58 PolarHBondContact O-N 3.21Å; F56-Q58 PolarHBondContact O-N 3.23Å; Q58-A62 WeakPolarHBondContact O-CB 3.39Å; Q58-Y65 PolarHBondContact NE2-OH 3.42Å; Q58-D82 VanDerWaalsContact CD-OD2 3.26Å; Q58-D82 VanDerWaalsContact NE2-CB 3.34Å; Q58-D82 PolarHBondContact NE2-OD2 2.82Å |
| 59 | T | 96.8 | Very high | 96.8 | Very high | 97 Ų | 97 | 40 Ų | 40 | 60% | 0.595 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -69.8 | -36.5 | 178.6 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | R55 F56 | R55-T59 VanDerWaalsContact O-CB 3.28Å; R55-T59 WeakPolarHBondContact O-CB 3.35Å; R55-T59 PolarHBondContact O-N 2.58Å; R55-T59 PolarHBondContact O-OG1 3.32Å; F56-T59 PolarHBondContact O-N 3.42Å |
| 60 | R | 96.9 | Very high | 97.1 | Very high | 86 Ų | 86 | 37.3 Ų | 37.3 | 33% | 0.325 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -97.2 | -32.1 | -173 | -63.9 | -77 | -169.9 | 169.4 | 3.4 | 114.2 | F16 D19 F56 | F16-R60 VanDerWaalsContact CZ-NH2 3.31Å; D19-R60 VanDerWaalsContact CB-NH2 3.34Å; D19-R60 VanDerWaalsContact CG-NH2 3.3Å; D19-R60 IonicContact OD2-CZ 3.52Å; D19-R60 IonicContact OD2-NH1 2.82Å; D19-R60 PolarHBondContact OD2-NH1 3.3Å; D19-R60 IonicContact OD2-NH2 3.85Å; D19-R60 PolarHBondContact OD2-NH2 2.87Å; F56-R60 HydrophobicContact CD2-CG 4.17Å; F56-R60 HydrophobicContact CE2-CG 3.95Å; F56-R60 HydrophobicContact CZ-CG 4.27Å; F56-R60 WeakPolarHBondContact O-CB 3.49Å; F56-R60 WeakPolarHBondContact O-CG 3.46Å; F56-R60 PolarHBondContact O-N 3.4Å |
| 61 | H | 97.5 | Very high | 97.1 | Very high | 26 Ų | 26 | 37.6 Ų | 37.6 | 12% | 0.12 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -141.3 | 32.7 | -165.9 | -54.2 | -67.5 | 0 | 0 | 0 | 112.6 | Y27 L57 N63 H64 Y65 V119 | Y27-H61 AromaticContact CE1-CE1 3.96Å; Y27-H61 AromaticContact CE1-NE2 3.7Å; Y27-H61 AromaticContact CZ-NE2 3.58Å; Y27-H61 PolarHBondContact OH-CE1 3.19Å; Y27-H61 PolarHBondContact OH-NE2 3.02Å; L57-H61 CarbonylContact O-C 3.21Å; L57-H61 VanDerWaalsContact O-CA 3.3Å; L57-H61 WeakPolarHBondContact O-CA 3.45Å; L57-H61 PolarHBondContact O-N 2.64Å; H61-N63 PolarHBondContact O-N 3.08Å; H61-H64 CarbonylContact O-C 3.59Å; H61-H64 WeakPolarHBondContact O-CA 3.47Å; H61-H64 PolarHBondContact O-N 2.77Å; H61-Y65 HydrophobicContact CB-CD1 4.38Å; H61-Y65 WeakPolarHBondContact O-CD1 3.38Å; H61-V119 HydrophobicContact CB-CG2 3.82Å; H61-V119 VanDerWaalsContact CG-CG2 3.44Å |
| 62 | A | 96.6 | Very high | 96.9 | Very high | 44 Ų | 44 | 39 Ų | 39 | 36% | 0.364 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44.4 | 126.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L57 Q58 H64 | L57-A62 PolarHBondContact O-N 2.91Å; Q58-A62 WeakPolarHBondContact O-CB 3.39Å; A62-H64 PolarHBondContact O-CD2 2.95Å; A62-H64 PolarHBondContact O-N 2.88Å |
| 63 | N | 96.4 | Very high | 96.7 | Very high | 142 Ų | 142 | 40.8 Ų | 40.8 | 76% | 0.759 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 6.6 | -178.4 | -51.9 | -43.7 | 0 | 0 | 0 | 116.5 | H61 | H61-N63 PolarHBondContact O-N 3.08Š|
| 64 | H | 98.4 | Very high | 96.4 | Very high | 47 Ų | 47 | 43.9 Ų | 43.9 | 22% | 0.218 | 22% | 0.217 | C | C | . | . | trans | -125.8 | 26.8 | -175.5 | -70.6 | -67.5 | 0 | 0 | 0 | 112.6 | H61 A62 D115 K117 N118 V119 | H61-H64 CarbonylContact O-C 3.59Å; H61-H64 WeakPolarHBondContact O-CA 3.47Å; H61-H64 PolarHBondContact O-N 2.77Å; A62-H64 PolarHBondContact O-CD2 2.95Å; A62-H64 PolarHBondContact O-N 2.88Å; H64-D115 IonicContact CE1-OD2 2.75Å; H64-D115 PolarHBondContact CE1-OD2 3.43Å; H64-D115 IonicContact ND1-OD2 3.34Å; H64-K117 HydrophobicContact CB-CB 4.37Å; H64-N118 PolarHBondContact ND1-OD1 3.22Å; H64-N118 VanDerWaalsContact ND1-OD1 3.07Å; H64-N118 CarbonylContact O-C 3.59Å; H64-N118 VanDerWaalsContact O-CA 3.32Å; H64-N118 WeakPolarHBondContact O-CA 3.37Å; H64-V119 WeakPolarHBondContact O-CG2 3.35Å; H64-V119 PolarHBondContact O-N 3.16Å | ||
| 65 | Y | 98.5 | Very high | 96.1 | Very high | 3 Ų | 3 | 47 Ų | 47 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 149.2 | 175.8 | 73 | -92.7 | 0 | 0 | 0 | 113.7 | L57 Q58 H61 I67 F81 D82 G83 V119 | L57-Y65 HydrophobicContact CB-CD1 3.84Å; L57-Y65 HydrophobicContact CB-CD2 4.3Å; L57-Y65 HydrophobicContact CB-CE1 3.76Å; L57-Y65 HydrophobicContact CB-CE2 4.22Å; L57-Y65 HydrophobicContact CB-CG 4.11Å; L57-Y65 HydrophobicContact CD1-CD2 3.82Å; L57-Y65 HydrophobicContact CD1-CE2 3.78Å; L57-Y65 HydrophobicContact CD1-CG 4.35Å; L57-Y65 HydrophobicContact CD2-CD2 4.37Å; L57-Y65 HydrophobicContact CD2-CG 4.17Å; L57-Y65 HydrophobicContact CG-CD2 4.39Å; L57-Y65 HydrophobicContact CG-CG 4.44Å; Q58-Y65 PolarHBondContact NE2-OH 3.42Å; H61-Y65 HydrophobicContact CB-CD1 4.38Å; H61-Y65 WeakPolarHBondContact O-CD1 3.38Å; Y65-I67 HydrophobicContact CD2-CD1 4.42Å; Y65-I67 HydrophobicContact CD2-CG1 4.04Å; Y65-I67 HydrophobicContact CE2-CD1 4.13Å; Y65-I67 HydrophobicContact CE2-CG1 4.22Å; Y65-F81 HydrophobicContact CE2-CB 4.24Å; Y65-F81 HydrophobicContact CE2-CD1 4.37Å; Y65-D82 PolarHBondContact OH-N 2.85Å; Y65-D82 VanDerWaalsContact OH-N 3.07Å; Y65-G83 PolarHBondContact OH-N 2.84Å; Y65-G83 VanDerWaalsContact OH-N 3.16Å; Y65-V119 VanDerWaalsContact CA-O 3.26Å; Y65-V119 WeakPolarHBondContact CA-O 3.37Å |
| 66 | K | 98.6 | Very high | 95.9 | Very high | 29 Ų | 29 | 41.9 Ų | 41.9 | 13% | 0.126 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 138.5 | 167.2 | 179.7 | 163.9 | 177.1 | -179 | 0 | 110.5 | Y68 P84 D107 F111 V119 V120 A121 | K66-Y68 HydrophobicContact CB-CE2 4.24Å; K66-Y68 HydrophobicContact CD-CE2 4.14Å; K66-Y68 WeakPolarHBondContact CD-OH 3.48Å; K66-Y68 WeakPolarHBondContact CE-OH 3.48Å; K66-Y68 HydrophobicContact CG-CD2 4.47Å; K66-Y68 HydrophobicContact CG-CE2 3.78Å; K66-P84 WeakPolarHBondContact CA-O 3.3Å; K66-P84 HydrophobicContact CB-CG 3.94Å; K66-P84 HydrophobicContact CD-CB 4.26Å; K66-P84 HydrophobicContact CD-CG 3.88Å; K66-P84 HydrophobicContact CG-CB 4.23Å; K66-P84 HydrophobicContact CG-CG 3.8Å; K66-D107 WeakPolarHBondContact CE-OD1 3.48Å; K66-D107 IonicContact NZ-OD1 3.09Å; K66-D107 PolarHBondContact NZ-OD1 2.71Å; K66-D107 IonicContact NZ-OD2 3.24Å; K66-D107 PolarHBondContact NZ-OD2 2.9Å; K66-F111 HydrophobicContact CB-CD1 3.73Å; K66-F111 HydrophobicContact CB-CD2 4.1Å; K66-F111 HydrophobicContact CB-CE1 3.51Å; K66-F111 HydrophobicContact CB-CE2 3.9Å; K66-F111 HydrophobicContact CB-CG 4.01Å; K66-F111 HydrophobicContact CB-CZ 3.61Å; K66-F111 HydrophobicContact CD-CB 4.31Å; K66-F111 HydrophobicContact CD-CD1 4.49Å; K66-F111 HydrophobicContact CD-CD2 3.95Å; K66-F111 HydrophobicContact CD-CE2 4.43Å; K66-F111 HydrophobicContact CD-CG 3.98Å; K66-V119 PolarHBondContact N-O 3.44Å; K66-V119 VanDerWaalsContact N-O 3.1Å; K66-V120 CarbonylContact O-C 3.57Å; K66-V120 WeakPolarHBondContact O-CA 3.32Å; K66-A121 PolarHBondContact O-N 2.7Å |
| 67 | I | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 135.5 | -178.9 | -56.4 | 177.4 | 0 | 0 | 0 | 110.1 | M35 L57 Y65 F76 F81 P84 V85 A86 A121 | M35-I67 HydrophobicContact CE-CG2 3.91Å; L57-I67 HydrophobicContact CD1-CD1 3.73Å; L57-I67 HydrophobicContact CD1-CG1 4.18Å; Y65-I67 HydrophobicContact CD2-CD1 4.42Å; Y65-I67 HydrophobicContact CD2-CG1 4.04Å; Y65-I67 HydrophobicContact CE2-CD1 4.13Å; Y65-I67 HydrophobicContact CE2-CG1 4.22Å; I67-F76 HydrophobicContact CG2-CZ 4.42Å; I67-F81 HydrophobicContact CD1-CB 4.15Å; I67-F81 HydrophobicContact CD1-CD1 3.33Å; I67-F81 HydrophobicContact CD1-CD2 3.79Å; I67-F81 HydrophobicContact CD1-CE1 3.52Å; I67-F81 HydrophobicContact CD1-CE2 3.97Å; I67-F81 HydrophobicContact CD1-CG 3.47Å; I67-F81 VanDerWaalsContact CD1-CG 3.47Å; I67-F81 HydrophobicContact CD1-CZ 3.83Å; I67-P84 PolarHBondContact N-O 3.29Å; I67-V85 HydrophobicContact CB-CG1 4.24Å; I67-V85 HydrophobicContact CB-CG2 4.17Å; I67-V85 HydrophobicContact CD1-CG2 4.37Å; I67-V85 HydrophobicContact CG2-CG1 4.28Å; I67-V85 CarbonylContact O-C 3.6Å; I67-V85 WeakPolarHBondContact O-CA 3.45Å; I67-A86 PolarHBondContact O-N 3.05Å; I67-A121 CarbonylContact C-O 3.49Å; I67-A121 WeakPolarHBondContact CA-O 2.7Å; I67-A121 HydrophobicContact CG1-CB 4.42Å |
| 68 | Y | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 113.9 | 173.8 | -63.6 | -96.3 | 0 | 0 | 0 | 110.2 | K66 A86 Y88 L104 D107 V108 V120 A121 I122 N123 | K66-Y68 HydrophobicContact CB-CE2 4.24Å; K66-Y68 HydrophobicContact CD-CE2 4.14Å; K66-Y68 WeakPolarHBondContact CD-OH 3.48Å; K66-Y68 WeakPolarHBondContact CE-OH 3.48Å; K66-Y68 HydrophobicContact CG-CD2 4.47Å; K66-Y68 HydrophobicContact CG-CE2 3.78Å; Y68-A86 CarbonylContact C-O 3.58Å; Y68-A86 WeakPolarHBondContact CA-O 3.45Å; Y68-A86 HydrophobicContact CD1-CB 4.02Å; Y68-A86 HydrophobicContact CE1-CB 4.14Å; Y68-Y88 HydrophobicContact CD1-CD2 4.03Å; Y68-Y88 AromaticContact CD1-CE2 3.75Å; Y68-Y88 HydrophobicContact CD1-CE2 3.75Å; Y68-Y88 HydrophobicContact CE1-CE2 4.08Å; Y68-L104 HydrophobicContact CD1-CD1 4.25Å; Y68-L104 HydrophobicContact CD1-CG 4.04Å; Y68-D107 HydrophobicContact CE1-CB 3.99Å; Y68-D107 PolarHBondContact OH-O 2.87Å; Y68-D107 PolarHBondContact OH-OD1 2.77Å; Y68-V108 HydrophobicContact CD1-CG2 4.36Å; Y68-V108 HydrophobicContact CD2-CG2 4.11Å; Y68-V108 HydrophobicContact CE1-CG2 3.9Å; Y68-V108 HydrophobicContact CE2-CG2 3.63Å; Y68-V108 HydrophobicContact CG-CG2 4.46Å; Y68-V108 VanDerWaalsContact CZ-CG2 3.5Å; Y68-V108 WeakPolarHBondContact OH-CA 3.4Å; Y68-V108 PolarHBondContact OH-N 2.87Å; Y68-V120 HydrophobicContact CD2-CB 4.09Å; Y68-V120 HydrophobicContact CD2-CG1 4.4Å; Y68-V120 HydrophobicContact CE2-CB 3.78Å; Y68-V120 HydrophobicContact CE2-CG1 3.59Å; Y68-A121 PolarHBondContact N-O 2.93Å; Y68-I122 HydrophobicContact CD2-CG1 4.28Å; Y68-I122 WeakPolarHBondContact O-CA 3.12Å; Y68-N123 PolarHBondContact O-N 3.49Å; Y68-N123 PolarHBondContact O-OD1 3.39Å; Y68-N123 VanDerWaalsContact O-OD1 3.11Å |
| 69 | H | 98 | Very high | 95.4 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.009 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 120.5 | -174.1 | -170.8 | 45.4 | 0 | 0 | 0 | 112.8 | F37 C71 R74 F76 A86 K87 Y88 N123 | F37-H69 AromaticContact CD2-CE1 3.73Å; F37-H69 AromaticContact CE2-CE1 3.6Å; F37-H69 AromaticContact CE2-NE2 3.94Å; H69-C71 VanDerWaalsContact CE1-CB 3.45Å; H69-C71 WeakPolarHBondContact CE1-CB 3.37Å; H69-C71 VanDerWaalsContact CE1-SG 3.59Å; H69-R74 PolarHBondContact NE2-O 2.79Å; H69-F76 HydrophobicContact CB-CE1 4.36Å; H69-F76 HydrophobicContact CB-CZ 4.29Å; H69-F76 AromaticContact CD2-CE1 3.99Å; H69-F76 AromaticContact CE1-CE1 3.72Å; H69-F76 AromaticContact CG-CE1 3.72Å; H69-F76 AromaticContact ND1-CE1 3.56Å; H69-F76 AromaticContact NE2-CE1 3.97Å; H69-A86 PolarHBondContact N-O 3.06Å; H69-K87 HydrophobicContact CB-CG 4.3Å; H69-K87 WeakPolarHBondContact O-CA 3.38Å; H69-Y88 PolarHBondContact O-N 2.76Å; H69-N123 VanDerWaalsContact CA-OD1 3.3Å; H69-N123 WeakPolarHBondContact CA-OD1 3.41Å; H69-N123 PolarHBondContact ND1-ND2 2.91Å; H69-N123 VanDerWaalsContact ND1-ND2 3.12Å; H69-N123 PolarHBondContact ND1-OD1 3.46Å; H69-N123 VanDerWaalsContact ND1-OD1 3.13Å |
| 70 | L | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | -1.9 | -171.9 | -51.2 | -178.5 | 0 | 0 | 0 | 114.7 | F90 L104 I122 N123 C124 R130 M134 | L70-F90 HydrophobicContact CB-CD1 4.43Å; L70-F90 HydrophobicContact CB-CE1 3.98Å; L70-F90 HydrophobicContact CD1-CE1 4.08Å; L70-F90 HydrophobicContact CD2-CE1 4.24Å; L70-F90 HydrophobicContact CG-CE1 4.33Å; L70-F90 PolarHBondContact O-N 3.07Å; L70-L104 HydrophobicContact CD2-CD1 3.71Å; L70-I122 HydrophobicContact CD1-CG2 3.67Å; L70-I122 HydrophobicContact CD2-CG2 4.36Å; L70-I122 HydrophobicContact CG-CG2 4.03Å; L70-N123 WeakPolarHBondContact CB-O 3.33Å; L70-N123 WeakPolarHBondContact CG-O 3.48Å; L70-N123 PolarHBondContact N-O 3.45Å; L70-C124 HydrophobicContact CB-CB 4.09Å; L70-R130 HydrophobicContact CD1-CB 4.44Å; L70-R130 PolarHBondContact O-NH1 3.41Å; L70-M134 HydrophobicContact CD1-CB 4.19Å; L70-M134 HydrophobicContact CD1-CG 3.79Å; L70-M134 HydrophobicContact CD2-CG 4.01Å |
| 71 | C | 94.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 131.2 | -178.8 | -62.3 | 0 | 0 | 0 | 0 | 111 | H69 R74 P89 C124 K125 | H69-C71 VanDerWaalsContact CE1-CB 3.45Å; H69-C71 WeakPolarHBondContact CE1-CB 3.37Å; H69-C71 VanDerWaalsContact CE1-SG 3.59Å; C71-R74 HydrophobicContact CB-CB 4.35Å; C71-R74 WeakPolarHBondContact CB-O 3.41Å; C71-P89 WeakPolarHBondContact O-CB 3.5Å; C71-C124 VanDerWaalsContact SG-CA 3.57Å; C71-K125 PolarHBondContact SG-N 2.73Å |
| 72 | D | 90.9 | Very high | 95 | Very high | 102 Ų | 102 | 52.3 Ų | 52.3 | 55% | 0.545 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -86.8 | -31.9 | 166.1 | -172.2 | 24.1 | 0 | 0 | 0 | 110.3 | P89 | D72-P89 HydrophobicContact CB-CB 3.99Š|
| 73 | E | 91.2 | Very high | 94.9 | Very high | 79 Ų | 79 | 50.8 Ų | 50.8 | 37% | 0.369 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -89 | -9.9 | -169.3 | 74.4 | -79.5 | -169.2 | 0 | 0 | 115.5 | R130 | E73-R130 IonicContact OE1-CZ 2.95Å; E73-R130 IonicContact OE1-NH1 3.95Å; E73-R130 IonicContact OE1-NH2 2.69Å; E73-R130 PolarHBondContact OE1-NH2 3.38Å; E73-R130 IonicContact OE2-CZ 3.85Å; E73-R130 IonicContact OE2-NH1 3.61Å; E73-R130 PolarHBondContact OE2-NH1 3.19Å; E73-R130 IonicContact OE2-NH2 3.26Å |
| 74 | R | 88.9 | Confident | 94.9 | Very high | 65 Ų | 65 | 47.2 Ų | 47.2 | 25% | 0.245 | 25% | 0.25 | C | S | . | . | trans | -150.7 | 148.1 | -172.5 | -76.3 | 168.5 | -168.2 | -130.5 | -9.6 | 109.5 | F37 E43 H69 C71 | F37-R74 HydrophobicContact CD2-CB 4.46Å; F37-R74 HydrophobicContact CE1-CB 4.48Å; F37-R74 HydrophobicContact CE2-CB 3.78Å; F37-R74 HydrophobicContact CZ-CB 3.81Å; E43-R74 IonicContact OE1-CZ 3.51Å; E43-R74 IonicContact OE1-NH1 3.76Å; E43-R74 PolarHBondContact OE1-NH1 2.8Å; E43-R74 IonicContact OE1-NH2 3.19Å; E43-R74 PolarHBondContact OE1-NH2 2.72Å; E43-R74 IonicContact OE2-CZ 3.56Å; E43-R74 IonicContact OE2-NH1 2.73Å; E43-R74 PolarHBondContact OE2-NH1 3.04Å; H69-R74 PolarHBondContact NE2-O 2.79Å; C71-R74 HydrophobicContact CB-CB 4.35Å; C71-R74 WeakPolarHBondContact CB-O 3.41Å | ||
| 75 | D | 92.3 | Very high | 94.9 | Very high | 90 Ų | 90 | 46.7 Ų | 46.7 | 48% | 0.481 | 25% | 0.25 | S | C | . | . | trans | -142.8 | 167.4 | 178.8 | -151.8 | -16.1 | 0 | 0 | 0 | 110.6 | F37 K87 | F37-D75 WeakPolarHBondContact CZ-O 3.41Å; D75-K87 WeakPolarHBondContact OD1-CE 3.26Å; D75-K87 IonicContact OD1-NZ 2.98Å; D75-K87 PolarHBondContact OD1-NZ 2.73Å; D75-K87 IonicContact OD2-NZ 2.75Å; D75-K87 PolarHBondContact OD2-NZ 3.24Å | ||
| 76 | F | 91.9 | Very high | 94.9 | Very high | 13 Ų | 13 | 47.3 Ų | 47.3 | 6% | 0.057 | 26% | 0.256 | C | S | . | . | trans | -136.7 | 161.5 | 175.5 | 52.4 | -97.7 | 0 | 0 | 0 | 110.4 | F37 P38 I50 I67 H69 V78 F81 V85 | F37-F76 HydrophobicContact CD2-CD1 4.44Å; F37-F76 AromaticContact CE2-CD1 3.74Å; F37-F76 HydrophobicContact CE2-CD1 3.74Å; F37-F76 HydrophobicContact CE2-CE1 4.36Å; F37-F76 HydrophobicContact CZ-CB 4.49Å; F37-F76 HydrophobicContact CZ-CD1 4.09Å; P38-F76 HydrophobicContact CG-CD1 3.57Å; P38-F76 HydrophobicContact CG-CE1 3.56Å; P38-F76 HydrophobicContact CG-CG 4.09Å; P38-F76 HydrophobicContact CG-CZ 4.09Å; I50-F76 HydrophobicContact CD1-CB 4.07Å; I50-F76 HydrophobicContact CD1-CD2 4.42Å; I50-F76 HydrophobicContact CD1-CG 4.43Å; I67-F76 HydrophobicContact CG2-CZ 4.42Å; H69-F76 HydrophobicContact CB-CE1 4.36Å; H69-F76 HydrophobicContact CB-CZ 4.29Å; H69-F76 AromaticContact CD2-CE1 3.99Å; H69-F76 AromaticContact CE1-CE1 3.72Å; H69-F76 AromaticContact CG-CE1 3.72Å; H69-F76 AromaticContact ND1-CE1 3.56Å; H69-F76 AromaticContact NE2-CE1 3.97Å; F76-V78 HydrophobicContact CE2-CG1 4.32Å; F76-V78 PolarHBondContact O-N 3.12Å; F76-F81 HydrophobicContact CD2-CD2 4.27Å; F76-F81 AromaticContact CD2-CE2 3.68Å; F76-F81 HydrophobicContact CD2-CE2 3.68Å; F76-F81 AromaticContact CE2-CD2 3.89Å; F76-F81 HydrophobicContact CE2-CD2 3.89Å; F76-F81 AromaticContact CE2-CE2 3.44Å; F76-F81 HydrophobicContact CE2-CE2 3.44Å; F76-F81 VanDerWaalsContact CE2-CE2 3.44Å; F76-F81 HydrophobicContact CZ-CE2 4.23Å; F76-V85 HydrophobicContact CE2-CG1 4.1Å; F76-V85 HydrophobicContact CZ-CG1 4.1Å | ||
| 77 | N | 92.8 | Very high | 94.8 | Very high | 94 Ų | 94 | 50.6 Ų | 50.6 | 50% | 0.503 | 27% | 0.27 | S | S | . | . | trans | -68.6 | 107.6 | 174.7 | -177.1 | -2.5 | 0 | 0 | 0 | 109.5 | C79 R80 | N77-C79 PolarHBondContact O-N 2.91Å; N77-C79 VanDerWaalsContact OD1-CB 3.31Å; N77-C79 WeakPolarHBondContact OD1-CB 3.32Å; N77-C79 PolarHBondContact OD1-N 3.11Å; N77-R80 HydrophobicContact CB-CG 4.07Å; N77-R80 WeakPolarHBondContact O-CB 3.29Å; N77-R80 VanDerWaalsContact O-CG 3.28Å; N77-R80 WeakPolarHBondContact O-CG 3.48Å; N77-R80 PolarHBondContact O-N 3.13Å | ||
| 78 | V | 93.3 | Very high | 94.8 | Very high | 55 Ų | 55 | 52.4 Ų | 52.4 | 33% | 0.333 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -61.8 | -28 | -179 | -61.4 | 0 | 0 | 0 | 0 | 112.6 | F76 R80 F81 V85 | F76-V78 HydrophobicContact CE2-CG1 4.32Å; F76-V78 PolarHBondContact O-N 3.12Å; V78-R80 PolarHBondContact O-N 2.92Å; V78-F81 PolarHBondContact O-N 3.46Å; V78-V85 HydrophobicContact CB-CB 4.24Å; V78-V85 HydrophobicContact CB-CG2 4.17Å; V78-V85 HydrophobicContact CG1-CB 4.03Å; V78-V85 HydrophobicContact CG1-CG1 4.01Å; V78-V85 HydrophobicContact CG1-CG2 4.35Å |
| 79 | C | 93.8 | Very high | 94.7 | Very high | 106 Ų | 106 | 55 Ų | 55 | 72% | 0.716 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -67 | -2.4 | 178.2 | -52.3 | 0 | 0 | 0 | 0 | 113.7 | N77 F81 | N77-C79 PolarHBondContact O-N 2.91Å; N77-C79 VanDerWaalsContact OD1-CB 3.31Å; N77-C79 WeakPolarHBondContact OD1-CB 3.32Å; N77-C79 PolarHBondContact OD1-N 3.11Å; C79-F81 VanDerWaalsContact C-N 3.28Å |
| 80 | R | 93.9 | Very high | 94.6 | Very high | 87 Ų | 87 | 55.4 Ų | 55.4 | 33% | 0.328 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -77.4 | -16.8 | 171.7 | -63.5 | -67.6 | -71.1 | -102 | -3.7 | 112.6 | I50 D51 V54 N77 V78 | I50-R80 HydrophobicContact CD1-CB 3.98Å; I50-R80 HydrophobicContact CD1-CG 4.09Å; I50-R80 HydrophobicContact CG1-CB 4.42Å; D51-R80 IonicContact OD1-CZ 3.7Å; D51-R80 IonicContact OD1-NH2 2.57Å; D51-R80 PolarHBondContact OD1-NH2 2.85Å; D51-R80 IonicContact OD2-NH2 3.01Å; D51-R80 PolarHBondContact OD2-NH2 2.87Å; V54-R80 WeakPolarHBondContact CG1-O 3.39Å; V54-R80 HydrophobicContact CG2-CB 4.3Å; V54-R80 WeakPolarHBondContact CG2-O 3.36Å; N77-R80 HydrophobicContact CB-CG 4.07Å; N77-R80 WeakPolarHBondContact O-CB 3.29Å; N77-R80 VanDerWaalsContact O-CG 3.28Å; N77-R80 WeakPolarHBondContact O-CG 3.48Å; N77-R80 PolarHBondContact O-N 3.13Å; V78-R80 PolarHBondContact O-N 2.92Å |
| 81 | F | 95.9 | Very high | 94.4 | Very high | 11 Ų | 11 | 58.2 Ų | 58.2 | 5% | 0.048 | 32% | 0.315 | C | S | . | . | trans | -109.3 | 133 | 178.5 | -60.3 | -78.1 | 0 | 0 | 0 | 109.1 | P38 I50 V53 V54 L57 Y65 I67 F76 V78 C79 G83 V85 | P38-F81 HydrophobicContact CB-CZ 4.17Å; P38-F81 HydrophobicContact CG-CZ 4.26Å; I50-F81 HydrophobicContact CD1-CE2 3.98Å; I50-F81 HydrophobicContact CD1-CZ 4.18Å; I50-F81 HydrophobicContact CG1-CE2 4.25Å; I50-F81 HydrophobicContact CG1-CZ 3.94Å; V53-F81 HydrophobicContact CB-CE1 4.48Å; V53-F81 HydrophobicContact CG1-CE1 4.02Å; V53-F81 HydrophobicContact CG1-CZ 4.37Å; V54-F81 HydrophobicContact CB-CE1 4.47Å; V54-F81 HydrophobicContact CG2-CD1 3.68Å; V54-F81 HydrophobicContact CG2-CE1 3.5Å; V54-F81 HydrophobicContact CG2-CG 4.4Å; V54-F81 HydrophobicContact CG2-CZ 4.09Å; L57-F81 HydrophobicContact CD1-CD1 4.03Å; L57-F81 HydrophobicContact CD1-CE1 3.98Å; Y65-F81 HydrophobicContact CE2-CB 4.24Å; Y65-F81 HydrophobicContact CE2-CD1 4.37Å; I67-F81 HydrophobicContact CD1-CB 4.15Å; I67-F81 HydrophobicContact CD1-CD1 3.33Å; I67-F81 HydrophobicContact CD1-CD2 3.79Å; I67-F81 HydrophobicContact CD1-CE1 3.52Å; I67-F81 HydrophobicContact CD1-CE2 3.97Å; I67-F81 HydrophobicContact CD1-CG 3.47Å; I67-F81 VanDerWaalsContact CD1-CG 3.47Å; I67-F81 HydrophobicContact CD1-CZ 3.83Å; F76-F81 HydrophobicContact CD2-CD2 4.27Å; F76-F81 AromaticContact CD2-CE2 3.68Å; F76-F81 HydrophobicContact CD2-CE2 3.68Å; F76-F81 AromaticContact CE2-CD2 3.89Å; F76-F81 HydrophobicContact CE2-CD2 3.89Å; F76-F81 AromaticContact CE2-CE2 3.44Å; F76-F81 HydrophobicContact CE2-CE2 3.44Å; F76-F81 VanDerWaalsContact CE2-CE2 3.44Å; F76-F81 HydrophobicContact CZ-CE2 4.23Å; V78-F81 PolarHBondContact O-N 3.46Å; C79-F81 VanDerWaalsContact C-N 3.28Å; F81-G83 VanDerWaalsContact C-N 3.31Å; F81-V85 HydrophobicContact CB-CG2 4.24Å; F81-V85 HydrophobicContact CD2-CG2 4.18Å | ||
| 82 | D | 94.6 | Very high | 94.2 | Very high | 123 Ų | 123 | 60.4 Ų | 60.4 | 66% | 0.658 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -77.1 | -23.7 | 175.6 | -52.1 | -45.9 | 0 | 0 | 0 | 111.5 | Q58 Y65 | Q58-D82 VanDerWaalsContact CD-OD2 3.26Å; Q58-D82 VanDerWaalsContact NE2-CB 3.34Å; Q58-D82 PolarHBondContact NE2-OD2 2.82Å; Y65-D82 PolarHBondContact OH-N 2.85Å; Y65-D82 VanDerWaalsContact OH-N 3.07Å |
| 83 | G | 93.7 | Very high | 94.2 | Very high | 11 Ų | 11 | 61.4 Ų | 61.4 | 11% | 0.113 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -82.6 | 157.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | Y65 F81 | Y65-G83 PolarHBondContact OH-N 2.84Å; Y65-G83 VanDerWaalsContact OH-N 3.16Å; F81-G83 VanDerWaalsContact C-N 3.31Å |
| 84 | P | 97.1 | Very high | 94.3 | Very high | 68 Ų | 68 | 61.7 Ų | 61.7 | 44% | 0.442 | 33% | 0.332 | S | S | . | . | trans | -61.7 | 144.8 | 179.7 | 23.4 | -32.6 | 0 | 0 | 0 | 112.6 | K66 I67 | K66-P84 WeakPolarHBondContact CA-O 3.3Å; K66-P84 HydrophobicContact CB-CG 3.94Å; K66-P84 HydrophobicContact CD-CB 4.26Å; K66-P84 HydrophobicContact CD-CG 3.88Å; K66-P84 HydrophobicContact CG-CB 4.23Å; K66-P84 HydrophobicContact CG-CG 3.8Å; I67-P84 PolarHBondContact N-O 3.29Å | ||
| 85 | V | 97.8 | Very high | 94.4 | Very high | 35 Ų | 35 | 59.7 Ų | 59.7 | 21% | 0.212 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 117.9 | 173.3 | -173.4 | 0 | 0 | 0 | 0 | 109.1 | I67 F76 V78 F81 | I67-V85 HydrophobicContact CB-CG1 4.24Å; I67-V85 HydrophobicContact CB-CG2 4.17Å; I67-V85 HydrophobicContact CD1-CG2 4.37Å; I67-V85 HydrophobicContact CG2-CG1 4.28Å; I67-V85 CarbonylContact O-C 3.6Å; I67-V85 WeakPolarHBondContact O-CA 3.45Å; F76-V85 HydrophobicContact CE2-CG1 4.1Å; F76-V85 HydrophobicContact CZ-CG1 4.1Å; V78-V85 HydrophobicContact CB-CB 4.24Å; V78-V85 HydrophobicContact CB-CG2 4.17Å; V78-V85 HydrophobicContact CG1-CB 4.03Å; V78-V85 HydrophobicContact CG1-CG1 4.01Å; V78-V85 HydrophobicContact CG1-CG2 4.35Å; F81-V85 HydrophobicContact CB-CG2 4.24Å; F81-V85 HydrophobicContact CD2-CG2 4.18Å |
| 86 | A | 97.9 | Very high | 94.6 | Very high | 17 Ų | 17 | 55.5 Ų | 55.5 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 144.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | I67 Y68 H69 Y88 | I67-A86 PolarHBondContact O-N 3.05Å; Y68-A86 CarbonylContact C-O 3.58Å; Y68-A86 WeakPolarHBondContact CA-O 3.45Å; Y68-A86 HydrophobicContact CD1-CB 4.02Å; Y68-A86 HydrophobicContact CE1-CB 4.14Å; H69-A86 PolarHBondContact N-O 3.06Å; A86-Y88 HydrophobicContact CB-CD2 4.41Å; A86-Y88 HydrophobicContact CB-CE2 3.84Å |
| 87 | K | 97.6 | Very high | 94.7 | Very high | 97 Ų | 97 | 58.7 Ų | 58.7 | 42% | 0.422 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 127.9 | -178.1 | -63.7 | -176.3 | 177.7 | 176.8 | 0 | 110.5 | H69 D75 | H69-K87 HydrophobicContact CB-CG 4.3Å; H69-K87 WeakPolarHBondContact O-CA 3.38Å; D75-K87 WeakPolarHBondContact OD1-CE 3.26Å; D75-K87 IonicContact OD1-NZ 2.98Å; D75-K87 PolarHBondContact OD1-NZ 2.73Å; D75-K87 IonicContact OD2-NZ 2.75Å; D75-K87 PolarHBondContact OD2-NZ 3.24Å |
| 88 | Y | 97.8 | Very high | 94.8 | Very high | 39 Ų | 39 | 54.2 Ų | 54.2 | 15% | 0.153 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 65.1 | 175.1 | -67.7 | -95.4 | 0 | 0 | 0 | 109.2 | Y68 H69 A86 A103 L104 D107 | Y68-Y88 HydrophobicContact CD1-CD2 4.03Å; Y68-Y88 AromaticContact CD1-CE2 3.75Å; Y68-Y88 HydrophobicContact CD1-CE2 3.75Å; Y68-Y88 HydrophobicContact CE1-CE2 4.08Å; H69-Y88 PolarHBondContact O-N 2.76Å; A86-Y88 HydrophobicContact CB-CD2 4.41Å; A86-Y88 HydrophobicContact CB-CE2 3.84Å; Y88-A103 HydrophobicContact CE1-CB 3.82Å; Y88-A103 PolarHBondContact OH-O 2.91Å; Y88-L104 HydrophobicContact CD1-CB 3.96Å; Y88-L104 HydrophobicContact CD2-CB 4.32Å; Y88-L104 HydrophobicContact CD2-CD1 3.92Å; Y88-L104 HydrophobicContact CD2-CG 4.27Å; Y88-L104 HydrophobicContact CE1-CB 3.97Å; Y88-L104 HydrophobicContact CE2-CB 4.34Å; Y88-L104 HydrophobicContact CE2-CG 4.41Å; Y88-L104 HydrophobicContact CG-CB 4.13Å; Y88-L104 HydrophobicContact CG-CD1 3.94Å; Y88-L104 HydrophobicContact CG-CG 4.43Å; Y88-D107 WeakPolarHBondContact OH-CB 3.49Å; Y88-D107 PolarHBondContact OH-OD2 3.1Å |
| 89 | P | 96.8 | Very high | 94.9 | Very high | 53 Ų | 53 | 53.8 Ų | 53.8 | 34% | 0.344 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 139 | -170.6 | 29.2 | -35.3 | 0 | 0 | 0 | 112.1 | C71 D72 Q100 | C71-P89 WeakPolarHBondContact O-CB 3.5Å; D72-P89 HydrophobicContact CB-CB 3.99Å; P89-Q100 PolarHBondContact O-NE2 2.79Å |
| 90 | F | 96.1 | Very high | 95.1 | Very high | 11 Ų | 11 | 50.6 Ų | 50.6 | 5% | 0.048 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 153 | 164.5 | 62.9 | -76.6 | 0 | 0 | 0 | 111.3 | L70 N94 P96 R130 M134 | L70-F90 HydrophobicContact CB-CD1 4.43Å; L70-F90 HydrophobicContact CB-CE1 3.98Å; L70-F90 HydrophobicContact CD1-CE1 4.08Å; L70-F90 HydrophobicContact CD2-CE1 4.24Å; L70-F90 HydrophobicContact CG-CE1 4.33Å; L70-F90 PolarHBondContact O-N 3.07Å; F90-N94 WeakPolarHBondContact CE2-O 3.39Å; F90-P96 HydrophobicContact CB-CB 4.4Å; F90-P96 HydrophobicContact CD1-CB 3.87Å; F90-P96 HydrophobicContact CD2-CB 3.9Å; F90-P96 HydrophobicContact CE1-CB 3.98Å; F90-P96 HydrophobicContact CE2-CB 3.97Å; F90-P96 HydrophobicContact CE2-CG 4.23Å; F90-P96 HydrophobicContact CG-CB 3.82Å; F90-P96 HydrophobicContact CZ-CB 4.01Å; F90-P96 HydrophobicContact CZ-CG 4.2Å; F90-R130 HydrophobicContact CD2-CG 4.08Å; F90-R130 HydrophobicContact CE1-CB 4.18Å; F90-R130 HydrophobicContact CE1-CG 4.5Å; F90-R130 HydrophobicContact CE2-CB 3.76Å; F90-R130 HydrophobicContact CE2-CG 3.41Å; F90-R130 VanDerWaalsContact CE2-CG 3.41Å; F90-R130 HydrophobicContact CZ-CB 3.44Å; F90-R130 VanDerWaalsContact CZ-CB 3.44Å; F90-R130 HydrophobicContact CZ-CG 3.67Å; F90-R130 WeakPolarHBondContact O-CD 3.47Å; F90-R130 PolarHBondContact O-NH1 3.47Å; F90-M134 HydrophobicContact CD1-CE 4.2Å; F90-M134 HydrophobicContact CE1-CE 3.68Å; F90-M134 HydrophobicContact CE1-CG 4.27Å; F90-M134 HydrophobicContact CZ-CE 4.3Å |
| 91 | S | 93.6 | Very high | 95.3 | Very high | 59 Ų | 59 | 46.5 Ų | 46.5 | 41% | 0.413 | 25% | 0.251 | S | S | . | . | trans | -57.8 | 142.9 | -172.3 | -80.9 | 0 | 0 | 0 | 0 | 113.1 | N94 | S91-N94 WeakPolarHBondContact CB-ND2 3.18Å; S91-N94 PolarHBondContact O-N 3.19Å | ||
| 92 | D | 90.5 | Very high | 95.4 | Very high | 54 Ų | 54 | 47.1 Ų | 47.1 | 29% | 0.289 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 143.3 | 178.6 | -153.3 | 25.5 | 0 | 0 | 0 | 111.1 | N94 R130 | D92-N94 PolarHBondContact O-N 2.83Å; D92-N94 VanDerWaalsContact O-N 3.1Å; D92-N94 PolarHBondContact O-ND2 2.96Å; D92-N94 VanDerWaalsContact O-ND2 3.13Å; D92-R130 VanDerWaalsContact CG-NH2 3.3Å; D92-R130 IonicContact OD1-CZ 3.19Å; D92-R130 IonicContact OD1-NE 2.72Å; D92-R130 PolarHBondContact OD1-NE 2.94Å; D92-R130 IonicContact OD1-NH2 2.8Å; D92-R130 PolarHBondContact OD1-NH2 3.32Å; D92-R130 IonicContact OD2-NH2 3.15Å |
| 93 | H | 90.9 | Very high | 95.5 | Very high | 122 Ų | 122 | 43.1 Ų | 43.1 | 57% | 0.565 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 0.1 | -177.2 | -50.4 | 86.4 | 0 | 0 | 0 | 117.1 | I168 | H93-I168 HydrophobicContact CB-CD1 3.85Å; H93-I168 WeakPolarHBondContact O-CD1 3.32Å |
| 94 | N | 92.5 | Very high | 95.8 | Very high | 86 Ų | 86 | 42.6 Ų | 42.6 | 46% | 0.46 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -95.8 | 166.8 | 174.5 | -67.9 | -72.8 | 0 | 0 | 0 | 111.8 | F90 S91 D92 Q171 | F90-N94 WeakPolarHBondContact CE2-O 3.39Å; S91-N94 WeakPolarHBondContact CB-ND2 3.18Å; S91-N94 PolarHBondContact O-N 3.19Å; D92-N94 PolarHBondContact O-N 2.83Å; D92-N94 VanDerWaalsContact O-N 3.1Å; D92-N94 PolarHBondContact O-ND2 2.96Å; D92-N94 VanDerWaalsContact O-ND2 3.13Å; N94-Q171 PolarHBondContact O-NE2 3.15Å |
| 95 | A | 92.7 | Very high | 95.9 | Very high | 23 Ų | 23 | 39.4 Ų | 39.4 | 19% | 0.19 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -81.6 | 151.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y174 | A95-Y174 HydrophobicContact CB-CD1 3.91Å; A95-Y174 HydrophobicContact CB-CD2 3.49Å; A95-Y174 VanDerWaalsContact CB-CD2 3.49Å; A95-Y174 HydrophobicContact CB-CE1 4.17Å; A95-Y174 HydrophobicContact CB-CE2 3.76Å; A95-Y174 HydrophobicContact CB-CG 3.58Å |
| 96 | P | 95.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.013 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -71 | 166.3 | 173.5 | 33.2 | -36.5 | 0 | 0 | 0 | 110.7 | F90 Q100 I101 V133 M134 Y174 | F90-P96 HydrophobicContact CB-CB 4.4Å; F90-P96 HydrophobicContact CD1-CB 3.87Å; F90-P96 HydrophobicContact CD2-CB 3.9Å; F90-P96 HydrophobicContact CE1-CB 3.98Å; F90-P96 HydrophobicContact CE2-CB 3.97Å; F90-P96 HydrophobicContact CE2-CG 4.23Å; F90-P96 HydrophobicContact CG-CB 3.82Å; F90-P96 HydrophobicContact CZ-CB 4.01Å; F90-P96 HydrophobicContact CZ-CG 4.2Å; P96-Q100 HydrophobicContact CB-CB 4.35Å; P96-I101 HydrophobicContact CB-CG1 4.37Å; P96-I101 HydrophobicContact CG-CD1 3.77Å; P96-I101 HydrophobicContact CG-CG1 3.5Å; P96-I101 VanDerWaalsContact CG-CG1 3.5Å; P96-V133 HydrophobicContact CG-CG1 3.99Å; P96-M134 HydrophobicContact CB-CE 3.47Å; P96-M134 VanDerWaalsContact CB-CE 3.47Å; P96-M134 HydrophobicContact CG-CE 3.66Å; P96-M134 HydrophobicContact CG-SD 4.33Å; P96-Y174 VanDerWaalsContact O-CD1 3.31Å; P96-Y174 WeakPolarHBondContact O-CD1 3.26Å; P96-Y174 WeakPolarHBondContact O-CE1 3.38Å |
| 97 | Q | 94.9 | Very high | 95.9 | Very high | 80 Ų | 80 | 43.4 Ų | 43.4 | 37% | 0.374 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -62.5 | 146.7 | 163.4 | -63.6 | -178.1 | 10.4 | 0 | 0 | 109.5 | E99 Q100 I101 R190 | Q97-E99 VanDerWaalsContact C-N 3.28Å; Q97-E99 PolarHBondContact O-N 2.81Å; Q97-Q100 HydrophobicContact CB-CG 4.06Å; Q97-Q100 WeakPolarHBondContact O-CB 3.17Å; Q97-Q100 PolarHBondContact O-N 2.81Å; Q97-I101 PolarHBondContact O-N 3.15Å; Q97-R190 VanDerWaalsContact OE1-NH2 3.12Å |
| 98 | F | 95.1 | Very high | 96 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.2 | -35.9 | -173 | -168.1 | -97.9 | 0 | 0 | 0 | 112.1 | Q100 I101 I102 Y174 Y178 F181 Y188 L255 F268 | F98-Q100 VanDerWaalsContact C-N 3.25Å; F98-Q100 PolarHBondContact O-N 3.31Å; F98-I101 HydrophobicContact CD2-CD1 4.28Å; F98-I101 WeakPolarHBondContact O-CB 3.41Å; F98-I101 PolarHBondContact O-N 3.46Å; F98-I102 HydrophobicContact CD1-CD1 3.78Å; F98-I102 HydrophobicContact CD1-CG1 4.19Å; F98-I102 HydrophobicContact CE1-CD1 3.77Å; F98-I102 HydrophobicContact CE1-CG1 4.07Å; F98-I102 PolarHBondContact O-N 3.01Å; F98-I102 VanDerWaalsContact O-N 3.14Å; F98-Y174 HydrophobicContact CD2-CD1 4.46Å; F98-Y178 HydrophobicContact CE2-CD2 4.35Å; F98-Y178 HydrophobicContact CZ-CD2 4.06Å; F98-F181 HydrophobicContact CE1-CB 4.26Å; F98-F181 HydrophobicContact CE1-CD2 4.03Å; F98-F181 HydrophobicContact CE1-CG 4.1Å; F98-F181 HydrophobicContact CZ-CB 3.73Å; F98-F181 HydrophobicContact CZ-CD2 4.36Å; F98-F181 HydrophobicContact CZ-CG 4.03Å; F98-Y188 HydrophobicContact CB-CD2 4.28Å; F98-Y188 HydrophobicContact CB-CE2 3.52Å; F98-Y188 AromaticContact CD1-CD2 3.1Å; F98-Y188 HydrophobicContact CD1-CD2 3.1Å; F98-Y188 AromaticContact CD1-CE2 3.29Å; F98-Y188 HydrophobicContact CD1-CE2 3.29Å; F98-Y188 AromaticContact CD1-CG 3.8Å; F98-Y188 HydrophobicContact CD1-CG 3.8Å; F98-Y188 AromaticContact CE1-CD2 3.63Å; F98-Y188 HydrophobicContact CE1-CD2 3.63Å; F98-Y188 HydrophobicContact CE1-CE2 4.22Å; F98-Y188 HydrophobicContact CE1-CG 4.25Å; F98-Y188 AromaticContact CG-CD2 3.96Å; F98-Y188 HydrophobicContact CG-CD2 3.96Å; F98-Y188 AromaticContact CG-CE2 3.67Å; F98-Y188 HydrophobicContact CG-CE2 3.67Å; F98-L255 HydrophobicContact CZ-CD1 4.46Å; F98-F268 HydrophobicContact CD1-CE2 4.13Å; F98-F268 HydrophobicContact CD2-CD2 4.48Å; F98-F268 AromaticContact CD2-CE2 3.97Å; F98-F268 HydrophobicContact CD2-CE2 3.97Å; F98-F268 HydrophobicContact CD2-CZ 4.2Å; F98-F268 HydrophobicContact CE1-CE2 4.02Å; F98-F268 HydrophobicContact CE1-CZ 4.43Å; F98-F268 AromaticContact CE2-CE2 3.93Å; F98-F268 HydrophobicContact CE2-CE2 3.93Å; F98-F268 AromaticContact CE2-CZ 3.8Å; F98-F268 HydrophobicContact CE2-CZ 3.8Å; F98-F268 HydrophobicContact CG-CD2 4.46Å; F98-F268 HydrophobicContact CG-CE2 4.06Å; F98-F268 AromaticContact CZ-CE2 3.93Å; F98-F268 HydrophobicContact CZ-CE2 3.93Å; F98-F268 AromaticContact CZ-CZ 3.9Å; F98-F268 HydrophobicContact CZ-CZ 3.9Å |
| 99 | E | 95.6 | Very high | 96 | Very high | 45 Ų | 45 | 39.6 Ų | 39.6 | 21% | 0.21 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.5 | -32.1 | 174.9 | -55.6 | 89.9 | 151.4 | 0 | 0 | 112.2 | Q97 I101 I102 A103 Y188 R190 | Q97-E99 VanDerWaalsContact C-N 3.28Å; Q97-E99 PolarHBondContact O-N 2.81Å; E99-I101 VanDerWaalsContact C-N 3.29Å; E99-I101 PolarHBondContact O-N 3.13Å; E99-I102 PolarHBondContact O-N 3Å; E99-A103 VanDerWaalsContact O-CB 3.3Å; E99-A103 WeakPolarHBondContact O-CB 3.41Å; E99-A103 PolarHBondContact O-N 3.1Å; E99-Y188 HydrophobicContact CG-CD1 3.84Å; E99-Y188 HydrophobicContact CG-CE1 3.34Å; E99-Y188 WeakPolarHBondContact OE1-CE1 3.3Å; E99-Y188 VanDerWaalsContact OE1-CZ 3.27Å; E99-Y188 PolarHBondContact OE1-OH 3.2Å; E99-Y188 PolarHBondContact OE2-OH 2.88Å; E99-Y188 VanDerWaalsContact OE2-OH 3.13Å; E99-R190 IonicContact OE1-CZ 2.98Å; E99-R190 VanDerWaalsContact OE1-CZ 3.26Å; E99-R190 IonicContact OE1-NE 3.61Å; E99-R190 PolarHBondContact OE1-NE 2.74Å; E99-R190 IonicContact OE1-NH2 2.64Å; E99-R190 PolarHBondContact OE1-NH2 3.2Å; E99-R190 IonicContact OE2-NH2 2.58Å |
| 100 | Q | 96.6 | Very high | 96.1 | Very high | 40 Ų | 40 | 38.7 Ų | 38.7 | 19% | 0.187 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.7 | -34.6 | 174.8 | -65 | 178 | -55.7 | 0 | 0 | 111.2 | P89 P96 Q97 F98 L104 M134 | P89-Q100 PolarHBondContact O-NE2 2.79Å; P96-Q100 HydrophobicContact CB-CB 4.35Å; Q97-Q100 HydrophobicContact CB-CG 4.06Å; Q97-Q100 WeakPolarHBondContact O-CB 3.17Å; Q97-Q100 PolarHBondContact O-N 2.81Å; F98-Q100 VanDerWaalsContact C-N 3.25Å; F98-Q100 PolarHBondContact O-N 3.31Å; Q100-L104 VanDerWaalsContact O-CB 3.26Å; Q100-L104 WeakPolarHBondContact O-CB 3.34Å; Q100-L104 PolarHBondContact O-N 3.35Å; Q100-M134 HydrophobicContact CB-CE 4.2Å |
| 101 | I | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.2 | -48.8 | 173.9 | -54.4 | 177.5 | 0 | 0 | 0 | 109.7 | P96 Q97 F98 E99 A103 C105 V133 M134 A137 Y174 Y178 | P96-I101 HydrophobicContact CB-CG1 4.37Å; P96-I101 HydrophobicContact CG-CD1 3.77Å; P96-I101 HydrophobicContact CG-CG1 3.5Å; P96-I101 VanDerWaalsContact CG-CG1 3.5Å; Q97-I101 PolarHBondContact O-N 3.15Å; F98-I101 HydrophobicContact CD2-CD1 4.28Å; F98-I101 WeakPolarHBondContact O-CB 3.41Å; F98-I101 PolarHBondContact O-N 3.46Å; E99-I101 VanDerWaalsContact C-N 3.29Å; E99-I101 PolarHBondContact O-N 3.13Å; I101-A103 PolarHBondContact O-N 3.26Å; I101-C105 WeakPolarHBondContact O-CB 3.39Å; I101-C105 PolarHBondContact O-N 3.45Å; I101-C105 PolarHBondContact O-SG 2.84Å; I101-V133 HydrophobicContact CD1-CG1 4.28Å; I101-M134 HydrophobicContact CB-SD 4.49Å; I101-M134 HydrophobicContact CG1-CE 4.36Å; I101-M134 HydrophobicContact CG1-SD 4.1Å; I101-A137 HydrophobicContact CG2-CB 3.4Å; I101-A137 VanDerWaalsContact CG2-CB 3.4Å; I101-Y174 HydrophobicContact CD1-CD1 3.93Å; I101-Y174 HydrophobicContact CD1-CG 4.48Å; I101-Y178 HydrophobicContact CB-CD2 4.26Å; I101-Y178 HydrophobicContact CG2-CD1 4.29Å; I101-Y178 HydrophobicContact CG2-CD2 3.48Å; I101-Y178 VanDerWaalsContact CG2-CD2 3.48Å; I101-Y178 HydrophobicContact CG2-CE2 3.78Å; I101-Y178 HydrophobicContact CG2-CG 3.75Å |
| 102 | I | 97.9 | Very high | 96.4 | Very high | 24 Ų | 24 | 36.7 Ų | 36.7 | 12% | 0.123 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.8 | -55.3 | 178 | -63.3 | 170.9 | 0 | 0 | 0 | 110 | F98 E99 L104 C105 E106 Y178 F181 Y188 | F98-I102 HydrophobicContact CD1-CD1 3.78Å; F98-I102 HydrophobicContact CD1-CG1 4.19Å; F98-I102 HydrophobicContact CE1-CD1 3.77Å; F98-I102 HydrophobicContact CE1-CG1 4.07Å; F98-I102 PolarHBondContact O-N 3.01Å; F98-I102 VanDerWaalsContact O-N 3.14Å; E99-I102 PolarHBondContact O-N 3Å; I102-L104 PolarHBondContact O-N 3.04Å; I102-C105 PolarHBondContact O-N 2.98Å; I102-E106 WeakPolarHBondContact CG2-OE1 3.48Å; I102-E106 WeakPolarHBondContact O-CG 3.46Å; I102-E106 PolarHBondContact O-N 2.8Å; I102-Y178 HydrophobicContact CG1-CE2 4.02Å; I102-F181 HydrophobicContact CD1-CE1 4.43Å; I102-F181 HydrophobicContact CD1-CE2 4.08Å; I102-F181 HydrophobicContact CD1-CZ 3.93Å; I102-F181 HydrophobicContact CG1-CE1 4.19Å; I102-F181 HydrophobicContact CG1-CZ 4.17Å; I102-Y188 HydrophobicContact CD1-CG 4.14Å |
| 103 | A | 98.3 | Very high | 96.8 | Very high | 39 Ų | 39 | 38.3 Ų | 38.3 | 32% | 0.322 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.9 | -41.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y88 E99 I101 D107 | Y88-A103 HydrophobicContact CE1-CB 3.82Å; Y88-A103 PolarHBondContact OH-O 2.91Å; E99-A103 VanDerWaalsContact O-CB 3.3Å; E99-A103 WeakPolarHBondContact O-CB 3.41Å; E99-A103 PolarHBondContact O-N 3.1Å; I101-A103 PolarHBondContact O-N 3.26Å; A103-D107 WeakPolarHBondContact O-CB 3.43Å; A103-D107 PolarHBondContact O-N 2.85Å; A103-D107 VanDerWaalsContact O-N 3.08Å |
| 104 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.7 | -45 | 177 | -176.9 | 152.9 | 0 | 0 | 0 | 111.2 | Y68 L70 Y88 Q100 I102 E106 D107 V108 I122 M134 C138 | Y68-L104 HydrophobicContact CD1-CD1 4.25Å; Y68-L104 HydrophobicContact CD1-CG 4.04Å; L70-L104 HydrophobicContact CD2-CD1 3.71Å; Y88-L104 HydrophobicContact CD1-CB 3.96Å; Y88-L104 HydrophobicContact CD2-CB 4.32Å; Y88-L104 HydrophobicContact CD2-CD1 3.92Å; Y88-L104 HydrophobicContact CD2-CG 4.27Å; Y88-L104 HydrophobicContact CE1-CB 3.97Å; Y88-L104 HydrophobicContact CE2-CB 4.34Å; Y88-L104 HydrophobicContact CE2-CG 4.41Å; Y88-L104 HydrophobicContact CG-CB 4.13Å; Y88-L104 HydrophobicContact CG-CD1 3.94Å; Y88-L104 HydrophobicContact CG-CG 4.43Å; Q100-L104 VanDerWaalsContact O-CB 3.26Å; Q100-L104 WeakPolarHBondContact O-CB 3.34Å; Q100-L104 PolarHBondContact O-N 3.35Å; I102-L104 PolarHBondContact O-N 3.04Å; L104-E106 VanDerWaalsContact C-N 3.31Å; L104-E106 PolarHBondContact O-N 2.87Å; L104-D107 PolarHBondContact O-N 3.19Å; L104-V108 HydrophobicContact CD2-CG2 3.8Å; L104-V108 HydrophobicContact CG-CG2 4.44Å; L104-V108 WeakPolarHBondContact O-CB 3.35Å; L104-V108 WeakPolarHBondContact O-CG2 3.48Å; L104-V108 PolarHBondContact O-N 3.41Å; L104-I122 HydrophobicContact CD2-CD1 4.27Å; L104-M134 HydrophobicContact CB-SD 4.49Å; L104-M134 HydrophobicContact CD1-CB 4.12Å; L104-M134 HydrophobicContact CD1-CE 4.41Å; L104-M134 HydrophobicContact CD1-CG 3.93Å; L104-M134 HydrophobicContact CD1-SD 4.08Å; L104-M134 HydrophobicContact CD2-CB 4.13Å; L104-C138 WeakPolarHBondContact CD2-SG 3.42Å |
| 105 | C | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.1 | -36.1 | 179.9 | -74.5 | 0 | 0 | 0 | 0 | 112.6 | I101 I102 N109 A137 R141 Y178 | I101-C105 WeakPolarHBondContact O-CB 3.39Å; I101-C105 PolarHBondContact O-N 3.45Å; I101-C105 PolarHBondContact O-SG 2.84Å; I102-C105 PolarHBondContact O-N 2.98Å; C105-N109 VanDerWaalsContact O-CB 3.27Å; C105-N109 WeakPolarHBondContact O-CB 3.46Å; C105-N109 PolarHBondContact O-N 3.22Å; C105-A137 VanDerWaalsContact SG-CB 3.54Å; C105-R141 HydrophobicContact CB-CB 4.23Å; C105-R141 HydrophobicContact CB-CG 4.25Å; C105-Y178 HydrophobicContact CB-CE1 4.33Å; C105-Y178 WeakPolarHBondContact CB-OH 3.44Å |
| 106 | E | 98.2 | Very high | 97.7 | Very high | 96 Ų | 96 | 42.1 Ų | 42.1 | 45% | 0.449 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.1 | -43.3 | 175.4 | -74.3 | 174.6 | 177.2 | 0 | 0 | 112.1 | I102 L104 N109 G110 R141 | I102-E106 WeakPolarHBondContact CG2-OE1 3.48Å; I102-E106 WeakPolarHBondContact O-CG 3.46Å; I102-E106 PolarHBondContact O-N 2.8Å; L104-E106 VanDerWaalsContact C-N 3.31Å; L104-E106 PolarHBondContact O-N 2.87Å; E106-N109 PolarHBondContact O-N 3.27Å; E106-G110 PolarHBondContact O-N 2.83Å; E106-R141 IonicContact OE1-CZ 3.06Å; E106-R141 IonicContact OE1-NH1 2.93Å; E106-R141 IonicContact OE1-NH2 2.57Å; E106-R141 PolarHBondContact OE1-NH2 2.91Å |
| 107 | D | 98.7 | Very high | 97.8 | Very high | 40 Ų | 40 | 48.9 Ų | 48.9 | 21% | 0.214 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61 | -49.9 | 173.9 | -175.3 | -19 | 0 | 0 | 0 | 110.6 | K66 Y68 Y88 A103 L104 N109 G110 F111 | K66-D107 WeakPolarHBondContact CE-OD1 3.48Å; K66-D107 IonicContact NZ-OD1 3.09Å; K66-D107 PolarHBondContact NZ-OD1 2.71Å; K66-D107 IonicContact NZ-OD2 3.24Å; K66-D107 PolarHBondContact NZ-OD2 2.9Å; Y68-D107 HydrophobicContact CE1-CB 3.99Å; Y68-D107 PolarHBondContact OH-O 2.87Å; Y68-D107 PolarHBondContact OH-OD1 2.77Å; Y88-D107 WeakPolarHBondContact OH-CB 3.49Å; Y88-D107 PolarHBondContact OH-OD2 3.1Å; A103-D107 WeakPolarHBondContact O-CB 3.43Å; A103-D107 PolarHBondContact O-N 2.85Å; A103-D107 VanDerWaalsContact O-N 3.08Å; L104-D107 PolarHBondContact O-N 3.19Å; D107-N109 PolarHBondContact O-N 3Å; D107-G110 PolarHBondContact O-N 2.75Å; D107-F111 WeakPolarHBondContact O-CB 3.49Å; D107-F111 PolarHBondContact O-N 3.15Å |
| 108 | V | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.8 | -49 | 177.5 | 166.8 | 0 | 0 | 0 | 0 | 111.2 | Y68 L104 G110 F111 L112 V120 C138 | Y68-V108 HydrophobicContact CD1-CG2 4.36Å; Y68-V108 HydrophobicContact CD2-CG2 4.11Å; Y68-V108 HydrophobicContact CE1-CG2 3.9Å; Y68-V108 HydrophobicContact CE2-CG2 3.63Å; Y68-V108 HydrophobicContact CG-CG2 4.46Å; Y68-V108 VanDerWaalsContact CZ-CG2 3.5Å; Y68-V108 WeakPolarHBondContact OH-CA 3.4Å; Y68-V108 PolarHBondContact OH-N 2.87Å; L104-V108 HydrophobicContact CD2-CG2 3.8Å; L104-V108 HydrophobicContact CG-CG2 4.44Å; L104-V108 WeakPolarHBondContact O-CB 3.35Å; L104-V108 WeakPolarHBondContact O-CG2 3.48Å; L104-V108 PolarHBondContact O-N 3.41Å; V108-G110 PolarHBondContact O-N 2.7Å; V108-F111 PolarHBondContact O-N 3.49Å; V108-L112 HydrophobicContact CG1-CD1 3.72Å; V108-L112 HydrophobicContact CG1-CG 4.3Å; V108-L112 WeakPolarHBondContact O-CB 3.31Å; V108-L112 VanDerWaalsContact O-CG 3.25Å; V108-L112 WeakPolarHBondContact O-CG 3.5Å; V108-L112 PolarHBondContact O-N 3.31Å; V108-V120 HydrophobicContact CG1-CG1 4.27Å; V108-V120 HydrophobicContact CG1-CG2 4.05Å; V108-V120 HydrophobicContact CG2-CG1 4.43Å; V108-C138 HydrophobicContact CG1-CB 4.28Å |
| 109 | N | 98.4 | Very high | 98.2 | Very high | 56 Ų | 56 | 45.7 Ų | 45.7 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.9 | -48.4 | 178.2 | -173.2 | 50.4 | 0 | 0 | 0 | 110.9 | C105 E106 D107 F111 L112 S113 R141 L142 | C105-N109 VanDerWaalsContact O-CB 3.27Å; C105-N109 WeakPolarHBondContact O-CB 3.46Å; C105-N109 PolarHBondContact O-N 3.22Å; E106-N109 PolarHBondContact O-N 3.27Å; D107-N109 PolarHBondContact O-N 3Å; N109-F111 PolarHBondContact O-N 3.22Å; N109-L112 PolarHBondContact O-N 2.96Å; N109-S113 WeakPolarHBondContact O-CB 3.33Å; N109-S113 PolarHBondContact O-N 3.37Å; N109-S113 PolarHBondContact O-OG 2.75Å; N109-R141 HydrophobicContact CB-CG 4.31Å; N109-L142 HydrophobicContact CB-CD2 4.33Å; N109-L142 WeakPolarHBondContact OD1-CD2 3.47Å |
| 110 | G | 98.5 | Very high | 98.3 | Very high | 34 Ų | 34 | 43.6 Ų | 43.6 | 35% | 0.351 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.7 | -43.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | E106 D107 V108 Q114 | E106-G110 PolarHBondContact O-N 2.83Å; D107-G110 PolarHBondContact O-N 2.75Å; V108-G110 PolarHBondContact O-N 2.7Å; G110-Q114 WeakPolarHBondContact O-CG 3.17Å; G110-Q114 PolarHBondContact O-NE2 2.61Å |
| 111 | F | 98.7 | Very high | 98.4 | Very high | 21 Ų | 21 | 41.7 Ų | 41.7 | 9% | 0.092 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.7 | -43.3 | 177.1 | 179.5 | -102.9 | 0 | 0 | 0 | 112.2 | K66 D107 V108 N109 S113 Q114 N118 V119 V120 | K66-F111 HydrophobicContact CB-CD1 3.73Å; K66-F111 HydrophobicContact CB-CD2 4.1Å; K66-F111 HydrophobicContact CB-CE1 3.51Å; K66-F111 HydrophobicContact CB-CE2 3.9Å; K66-F111 HydrophobicContact CB-CG 4.01Å; K66-F111 HydrophobicContact CB-CZ 3.61Å; K66-F111 HydrophobicContact CD-CB 4.31Å; K66-F111 HydrophobicContact CD-CD1 4.49Å; K66-F111 HydrophobicContact CD-CD2 3.95Å; K66-F111 HydrophobicContact CD-CE2 4.43Å; K66-F111 HydrophobicContact CD-CG 3.98Å; D107-F111 WeakPolarHBondContact O-CB 3.49Å; D107-F111 PolarHBondContact O-N 3.15Å; V108-F111 PolarHBondContact O-N 3.49Å; N109-F111 PolarHBondContact O-N 3.22Å; F111-S113 VanDerWaalsContact C-N 3.3Å; F111-S113 PolarHBondContact O-N 3.4Å; F111-Q114 PolarHBondContact O-N 2.85Å; F111-N118 HydrophobicContact CD1-CB 4.13Å; F111-N118 HydrophobicContact CE1-CB 3.65Å; F111-N118 HydrophobicContact CZ-CB 4.05Å; F111-N118 PolarHBondContact O-ND2 3.37Å; F111-V119 WeakPolarHBondContact CE1-O 3.49Å; F111-V120 HydrophobicContact CD1-CG1 3.69Å; F111-V120 HydrophobicContact CE1-CG1 4.26Å |
| 112 | L | 98.5 | Very high | 98.4 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.3 | -26.7 | 179.1 | -68.3 | 179.5 | 0 | 0 | 0 | 112.6 | R31 V108 N109 Q114 N118 V120 L142 | R31-L112 HydrophobicContact CB-CD2 4.14Å; R31-L112 VanDerWaalsContact CZ-O 3.32Å; R31-L112 PolarHBondContact NH1-O 3.44Å; R31-L112 PolarHBondContact NH2-O 2.92Å; V108-L112 HydrophobicContact CG1-CD1 3.72Å; V108-L112 HydrophobicContact CG1-CG 4.3Å; V108-L112 WeakPolarHBondContact O-CB 3.31Å; V108-L112 VanDerWaalsContact O-CG 3.25Å; V108-L112 WeakPolarHBondContact O-CG 3.5Å; V108-L112 PolarHBondContact O-N 3.31Å; N109-L112 PolarHBondContact O-N 2.96Å; L112-Q114 VanDerWaalsContact C-N 3.29Å; L112-Q114 PolarHBondContact O-N 2.91Å; L112-N118 HydrophobicContact CD2-CB 4.31Å; L112-N118 WeakPolarHBondContact CD2-O 3.49Å; L112-V120 HydrophobicContact CD1-CG1 4.49Å; L112-V120 HydrophobicContact CD1-CG2 4.46Å; L112-V120 HydrophobicContact CD2-CG1 3.87Å; L112-V120 HydrophobicContact CG-CG1 4.02Å; L112-L142 HydrophobicContact CD1-CD1 3.7Å; L112-L142 HydrophobicContact CD1-CD2 4.3Å |
| 113 | S | 98.2 | Very high | 98.4 | Very high | 88 Ų | 88 | 40.5 Ų | 40.5 | 62% | 0.615 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -72.8 | -17.5 | 175.2 | -61.4 | 0 | 0 | 0 | 0 | 114.1 | N109 F111 | N109-S113 WeakPolarHBondContact O-CB 3.33Å; N109-S113 PolarHBondContact O-N 3.37Å; N109-S113 PolarHBondContact O-OG 2.75Å; F111-S113 VanDerWaalsContact C-N 3.3Å; F111-S113 PolarHBondContact O-N 3.4Å |
| 114 | Q | 98.3 | Very high | 98.2 | Very high | 147 Ų | 147 | 38.8 Ų | 38.8 | 69% | 0.687 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -73.3 | -34.5 | -176.2 | -71.9 | 167.4 | 26.7 | 0 | 0 | 113.7 | G110 F111 L112 | G110-Q114 WeakPolarHBondContact O-CG 3.17Å; G110-Q114 PolarHBondContact O-NE2 2.61Å; F111-Q114 PolarHBondContact O-N 2.85Å; L112-Q114 VanDerWaalsContact C-N 3.29Å; L112-Q114 PolarHBondContact O-N 2.91Å |
| 115 | D | 98.3 | Very high | 97.8 | Very high | 52 Ų | 52 | 41.7 Ų | 41.7 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | trans | -152.7 | 133 | 178.4 | -171.7 | -47.4 | 0 | 0 | 0 | 109.2 | R31 H64 K117 N118 | R31-D115 PolarHBondContact NH2-O 3.3Å; H64-D115 IonicContact CE1-OD2 2.75Å; H64-D115 PolarHBondContact CE1-OD2 3.43Å; H64-D115 IonicContact ND1-OD2 3.34Å; D115-K117 PolarHBondContact O-N 3.42Å; D115-K117 VanDerWaalsContact O-N 3.15Å; D115-K117 VanDerWaalsContact OD1-CB 3.29Å; D115-K117 WeakPolarHBondContact OD1-CB 3.45Å; D115-K117 PolarHBondContact OD1-N 3.13Å; D115-N118 VanDerWaalsContact O-CB 3.31Å; D115-N118 WeakPolarHBondContact O-CB 3.44Å; D115-N118 PolarHBondContact O-N 2.97Å | ||
| 116 | P | 97.7 | Very high | 97.4 | Very high | 113 Ų | 113 | 43.5 Ų | 43.5 | 73% | 0.734 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -22.4 | 177 | 24.9 | -36 | 0 | 0 | 0 | 114.5 | R31 | R31-P116 PolarHBondContact NE-O 3.4Š|
| 117 | K | 98.1 | Very high | 97.1 | Very high | 143 Ų | 143 | 39 Ų | 39 | 62% | 0.622 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80 | -15.9 | 175.4 | -63.7 | 178.5 | -179.4 | 174.3 | 0 | 113.4 | H64 D115 V119 | H64-K117 HydrophobicContact CB-CB 4.37Å; D115-K117 PolarHBondContact O-N 3.42Å; D115-K117 VanDerWaalsContact O-N 3.15Å; D115-K117 VanDerWaalsContact OD1-CB 3.29Å; D115-K117 WeakPolarHBondContact OD1-CB 3.45Å; D115-K117 PolarHBondContact OD1-N 3.13Å; K117-V119 PolarHBondContact O-N 3.07Å |
| 118 | N | 98.7 | Very high | 96.9 | Very high | 9 Ų | 9 | 40.1 Ų | 40.1 | 5% | 0.048 | 22% | 0.223 | C | C | . | . | trans | -61.5 | 138.1 | -177.9 | -75.4 | -8.1 | 0 | 0 | 0 | 111.1 | R31 H64 F111 L112 D115 | R31-N118 VanDerWaalsContact CZ-O 3.3Å; R31-N118 PolarHBondContact NE-O 2.63Å; R31-N118 PolarHBondContact NH2-O 3.25Å; H64-N118 PolarHBondContact ND1-OD1 3.22Å; H64-N118 VanDerWaalsContact ND1-OD1 3.07Å; H64-N118 CarbonylContact O-C 3.59Å; H64-N118 VanDerWaalsContact O-CA 3.32Å; H64-N118 WeakPolarHBondContact O-CA 3.37Å; F111-N118 HydrophobicContact CD1-CB 4.13Å; F111-N118 HydrophobicContact CE1-CB 3.65Å; F111-N118 HydrophobicContact CZ-CB 4.05Å; F111-N118 PolarHBondContact O-ND2 3.37Å; L112-N118 HydrophobicContact CD2-CB 4.31Å; L112-N118 WeakPolarHBondContact CD2-O 3.49Å; D115-N118 VanDerWaalsContact O-CB 3.31Å; D115-N118 WeakPolarHBondContact O-CB 3.44Å; D115-N118 PolarHBondContact O-N 2.97Å | ||
| 119 | V | 98.6 | Very high | 96.7 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.03 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 150 | 174.9 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | R31 I33 H61 H64 Y65 K66 F111 K117 | R31-V119 CarbonylContact O-C 3.59Å; R31-V119 WeakPolarHBondContact O-CA 3.42Å; I33-V119 HydrophobicContact CD1-CG2 4.42Å; H61-V119 HydrophobicContact CB-CG2 3.82Å; H61-V119 VanDerWaalsContact CG-CG2 3.44Å; H64-V119 WeakPolarHBondContact O-CG2 3.35Å; H64-V119 PolarHBondContact O-N 3.16Å; Y65-V119 VanDerWaalsContact CA-O 3.26Å; Y65-V119 WeakPolarHBondContact CA-O 3.37Å; K66-V119 PolarHBondContact N-O 3.44Å; K66-V119 VanDerWaalsContact N-O 3.1Å; F111-V119 WeakPolarHBondContact CE1-O 3.49Å; K117-V119 PolarHBondContact O-N 3.07Å |
| 120 | V | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 141.1 | 175.1 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | R31 I32 I33 K66 Y68 V108 F111 L112 | R31-V120 PolarHBondContact O-N 2.68Å; I32-V120 HydrophobicContact CB-CG2 4.28Å; I32-V120 HydrophobicContact CG1-CG2 3.85Å; I32-V120 HydrophobicContact CG2-CG2 4.28Å; I33-V120 WeakPolarHBondContact CB-O 3.4Å; I33-V120 PolarHBondContact N-O 2.97Å; K66-V120 CarbonylContact O-C 3.57Å; K66-V120 WeakPolarHBondContact O-CA 3.32Å; Y68-V120 HydrophobicContact CD2-CB 4.09Å; Y68-V120 HydrophobicContact CD2-CG1 4.4Å; Y68-V120 HydrophobicContact CE2-CB 3.78Å; Y68-V120 HydrophobicContact CE2-CG1 3.59Å; V108-V120 HydrophobicContact CG1-CG1 4.27Å; V108-V120 HydrophobicContact CG1-CG2 4.05Å; V108-V120 HydrophobicContact CG2-CG1 4.43Å; F111-V120 HydrophobicContact CD1-CG1 3.69Å; F111-V120 HydrophobicContact CE1-CG1 4.26Å; L112-V120 HydrophobicContact CD1-CG1 4.49Å; L112-V120 HydrophobicContact CD1-CG2 4.46Å; L112-V120 HydrophobicContact CD2-CG1 3.87Å; L112-V120 HydrophobicContact CG-CG1 4.02Å |
| 121 | A | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 109.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | I33 M35 K66 I67 Y68 | I33-A121 HydrophobicContact CB-CB 4.2Å; I33-A121 HydrophobicContact CG2-CB 4.34Å; I33-A121 WeakPolarHBondContact O-CA 3.26Å; M35-A121 HydrophobicContact CE-CB 3.76Å; M35-A121 HydrophobicContact SD-CB 4.15Å; K66-A121 PolarHBondContact O-N 2.7Å; I67-A121 CarbonylContact C-O 3.49Å; I67-A121 WeakPolarHBondContact CA-O 2.7Å; I67-A121 HydrophobicContact CG1-CB 4.42Å; Y68-A121 PolarHBondContact N-O 2.93Å |
| 122 | I | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 124.3 | -177.9 | -50.9 | -175.9 | 0 | 0 | 0 | 109 | I33 M35 Y68 L70 L104 T131 M134 V135 | I33-I122 PolarHBondContact O-N 2.88Å; M35-I122 PolarHBondContact N-O 3.31Å; Y68-I122 HydrophobicContact CD2-CG1 4.28Å; Y68-I122 WeakPolarHBondContact O-CA 3.12Å; L70-I122 HydrophobicContact CD1-CG2 3.67Å; L70-I122 HydrophobicContact CD2-CG2 4.36Å; L70-I122 HydrophobicContact CG-CG2 4.03Å; L104-I122 HydrophobicContact CD2-CD1 4.27Å; I122-T131 HydrophobicContact CB-CG2 4.23Å; I122-T131 HydrophobicContact CG2-CG2 4.08Å; I122-T131 WeakPolarHBondContact O-CG2 3.23Å; I122-M134 HydrophobicContact CG2-CB 4.39Å; I122-V135 HydrophobicContact CB-CG2 4.22Å; I122-V135 HydrophobicContact CD1-CG2 3.88Å; I122-V135 HydrophobicContact CG1-CG2 4.45Å |
| 123 | N | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 145.6 | -176.5 | 82.1 | -58 | 0 | 0 | 0 | 113.6 | M35 P38 Y68 H69 L70 | M35-N123 HydrophobicContact CE-CB 3.79Å; M35-N123 HydrophobicContact CG-CB 3.53Å; M35-N123 WeakPolarHBondContact O-CA 3.23Å; M35-N123 HydrophobicContact SD-CB 4.49Å; P38-N123 WeakPolarHBondContact CD-ND2 3.49Å; Y68-N123 PolarHBondContact O-N 3.49Å; Y68-N123 PolarHBondContact O-OD1 3.39Å; Y68-N123 VanDerWaalsContact O-OD1 3.11Å; H69-N123 VanDerWaalsContact CA-OD1 3.3Å; H69-N123 WeakPolarHBondContact CA-OD1 3.41Å; H69-N123 PolarHBondContact ND1-ND2 2.91Å; H69-N123 VanDerWaalsContact ND1-ND2 3.12Å; H69-N123 PolarHBondContact ND1-OD1 3.46Å; H69-N123 VanDerWaalsContact ND1-OD1 3.13Å; L70-N123 WeakPolarHBondContact CB-O 3.33Å; L70-N123 WeakPolarHBondContact CG-O 3.48Å; L70-N123 PolarHBondContact N-O 3.45Å |
| 124 | C | 93.7 | Very high | 96.7 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.02 | 17% | 0.165 | C | C | . | . | trans | -130.4 | -157.1 | 163.6 | 76.3 | 0 | 0 | 0 | 0 | 108.5 | G36 F37 L70 C71 G127 R130 T131 | G36-C124 CarbonylContact C-O 3.47Å; F37-C124 WeakPolarHBondContact CA-O 3.46Å; F37-C124 WeakPolarHBondContact CB-O 3.35Å; F37-C124 PolarHBondContact N-O 2.94Å; L70-C124 HydrophobicContact CB-CB 4.09Å; C71-C124 VanDerWaalsContact SG-CA 3.57Å; C124-G127 PolarHBondContact SG-N 3.37Å; C124-R130 HydrophobicContact CB-CB 3.94Å; C124-T131 WeakPolarHBondContact CB-OG1 3.34Å; C124-T131 PolarHBondContact N-OG1 3.14Å; C124-T131 PolarHBondContact SG-OG1 3.32Å | ||
| 125 | K | 91.5 | Very high | 96.7 | Very high | 60 Ų | 60 | 24.1 Ų | 24.1 | 26% | 0.261 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -59.9 | -52.7 | 177.3 | -170.3 | 176.4 | -174.1 | 172.4 | 0 | 112.4 | F37 R47 C71 R130 | F37-K125 PolarHBondContact N-O 3.38Å; R47-K125 VanDerWaalsContact NH1-CG 3.27Å; R47-K125 PolarHBondContact NH1-O 2.93Å; R47-K125 VanDerWaalsContact NH1-O 3.16Å; R47-K125 VanDerWaalsContact NH2-CE 3.31Å; C71-K125 PolarHBondContact SG-N 2.73Å; K125-R130 VanDerWaalsContact CB-NH2 3.3Å |
| 126 | A | 90.5 | Very high | 96.7 | Very high | 40 Ų | 40 | 21.7 Ų | 21.7 | 33% | 0.331 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -111.5 | -5.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114 | K13 K128 R159 | K13-A126 WeakPolarHBondContact CD-O 3.24Å; K13-A126 PolarHBondContact NZ-O 2.79Å; A126-K128 VanDerWaalsContact C-N 3.34Å; A126-K128 HydrophobicContact CB-CB 4.48Å; A126-R159 PolarHBondContact O-NH2 3.06Å |
| 127 | G | 91.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | S | Bend | trans | 64.4 | 35.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | M35 C124 T131 Y155 R159 | M35-G127 WeakPolarHBondContact O-CA 3.47Å; C124-G127 PolarHBondContact SG-N 3.37Å; G127-T131 WeakPolarHBondContact CA-OG1 3.4Å; G127-Y155 PolarHBondContact O-OH 3Å; G127-R159 PolarHBondContact O-NE 2.9Å; G127-R159 PolarHBondContact O-NH2 3.41Å |
| 128 | K | 93.4 | Very high | 96.8 | Very high | 65 Ų | 65 | 9.6 Ų | 9.6 | 28% | 0.283 | 6% | 0.055 | S | C | . | . | S | Bend | trans | -122.2 | -104.2 | -172.2 | -163.7 | -177.1 | -177.3 | 179.9 | 0 | 112.2 | A126 G132 Y155 K164 G165 | A126-K128 VanDerWaalsContact C-N 3.34Å; A126-K128 HydrophobicContact CB-CB 4.48Å; K128-G132 WeakPolarHBondContact O-CA 3.18Å; K128-G132 PolarHBondContact O-N 2.82Å; K128-Y155 WeakPolarHBondContact CA-OH 3.06Å; K128-Y155 PolarHBondContact O-OH 3.47Å; K128-K164 WeakPolarHBondContact CE-O 3.33Å; K128-K164 PolarHBondContact NZ-O 2.89Å; K128-G165 VanDerWaalsContact CE-O 3.26Å; K128-G165 WeakPolarHBondContact CE-O 2.97Å; K128-G165 WeakPolarHBondContact CG-O 3.49Å |
| 129 | G | 96 | Very high | 96.8 | Very high | 15 Ų | 15 | 9.1 Ų | 9.1 | 16% | 0.155 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -55.5 | -60.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | T131 G132 V133 Q171 | G129-T131 PolarHBondContact O-N 3.22Å; G129-G132 PolarHBondContact O-N 3.25Å; G129-G132 VanDerWaalsContact O-N 3.14Å; G129-V133 PolarHBondContact O-N 3.47Å; G129-Q171 VanDerWaalsContact CA-OE1 3.29Å |
| 130 | R | 97.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 9.2 Ų | 9.2 | 1% | 0.008 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -56.7 | -51.4 | 179.2 | -68.4 | -172.1 | -83.9 | 174.3 | -3.2 | 113.1 | L70 E73 F90 D92 C124 K125 G132 V133 M134 | L70-R130 HydrophobicContact CD1-CB 4.44Å; L70-R130 PolarHBondContact O-NH1 3.41Å; E73-R130 IonicContact OE1-CZ 2.95Å; E73-R130 IonicContact OE1-NH1 3.95Å; E73-R130 IonicContact OE1-NH2 2.69Å; E73-R130 PolarHBondContact OE1-NH2 3.38Å; E73-R130 IonicContact OE2-CZ 3.85Å; E73-R130 IonicContact OE2-NH1 3.61Å; E73-R130 PolarHBondContact OE2-NH1 3.19Å; E73-R130 IonicContact OE2-NH2 3.26Å; F90-R130 HydrophobicContact CD2-CG 4.08Å; F90-R130 HydrophobicContact CE1-CB 4.18Å; F90-R130 HydrophobicContact CE1-CG 4.5Å; F90-R130 HydrophobicContact CE2-CB 3.76Å; F90-R130 HydrophobicContact CE2-CG 3.41Å; F90-R130 VanDerWaalsContact CE2-CG 3.41Å; F90-R130 HydrophobicContact CZ-CB 3.44Å; F90-R130 VanDerWaalsContact CZ-CB 3.44Å; F90-R130 HydrophobicContact CZ-CG 3.67Å; F90-R130 WeakPolarHBondContact O-CD 3.47Å; F90-R130 PolarHBondContact O-NH1 3.47Å; D92-R130 VanDerWaalsContact CG-NH2 3.3Å; D92-R130 IonicContact OD1-CZ 3.19Å; D92-R130 IonicContact OD1-NE 2.72Å; D92-R130 PolarHBondContact OD1-NE 2.94Å; D92-R130 IonicContact OD1-NH2 2.8Å; D92-R130 PolarHBondContact OD1-NH2 3.32Å; D92-R130 IonicContact OD2-NH2 3.15Å; C124-R130 HydrophobicContact CB-CB 3.94Å; K125-R130 VanDerWaalsContact CB-NH2 3.3Å; R130-G132 VanDerWaalsContact C-N 3.27Å; R130-G132 PolarHBondContact O-N 3.45Å; R130-V133 PolarHBondContact O-N 2.83Å; R130-M134 PolarHBondContact O-N 2.91Å |
| 131 | T | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -58.2 | -42.2 | 176 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | A34 I122 C124 G127 G129 M134 V135 | A34-T131 HydrophobicContact CB-CG2 3.69Å; I122-T131 HydrophobicContact CB-CG2 4.23Å; I122-T131 HydrophobicContact CG2-CG2 4.08Å; I122-T131 WeakPolarHBondContact O-CG2 3.23Å; C124-T131 WeakPolarHBondContact CB-OG1 3.34Å; C124-T131 PolarHBondContact N-OG1 3.14Å; C124-T131 PolarHBondContact SG-OG1 3.32Å; G127-T131 WeakPolarHBondContact CA-OG1 3.4Å; G129-T131 PolarHBondContact O-N 3.22Å; T131-M134 PolarHBondContact O-N 3.17Å; T131-V135 HydrophobicContact CG2-CG2 3.87Å; T131-V135 WeakPolarHBondContact O-CB 3.47Å; T131-V135 VanDerWaalsContact O-CG2 3.23Å; T131-V135 WeakPolarHBondContact O-CG2 3.25Å; T131-V135 PolarHBondContact O-N 3.06Å |
| 132 | G | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.6 | -40.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K128 G129 R130 M134 C136 Y155 V166 | K128-G132 WeakPolarHBondContact O-CA 3.18Å; K128-G132 PolarHBondContact O-N 2.82Å; G129-G132 PolarHBondContact O-N 3.25Å; G129-G132 VanDerWaalsContact O-N 3.14Å; R130-G132 VanDerWaalsContact C-N 3.27Å; R130-G132 PolarHBondContact O-N 3.45Å; G132-M134 PolarHBondContact O-N 3.41Å; G132-C136 WeakPolarHBondContact O-CB 3.35Å; G132-C136 PolarHBondContact O-N 3.19Å; G132-C136 PolarHBondContact O-SG 2.86Å; G132-Y155 PolarHBondContact N-OH 2.91Å; G132-V166 VanDerWaalsContact C-CG2 3.48Å |
| 133 | V | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.1 | -51.5 | 174.5 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | P96 I101 G129 R130 C136 A137 V166 Q171 V175 | P96-V133 HydrophobicContact CG-CG1 3.99Å; I101-V133 HydrophobicContact CD1-CG1 4.28Å; G129-V133 PolarHBondContact O-N 3.47Å; R130-V133 PolarHBondContact O-N 2.83Å; V133-C136 PolarHBondContact O-N 3.08Å; V133-A137 WeakPolarHBondContact O-CB 3.49Å; V133-A137 PolarHBondContact O-N 3.34Å; V133-V166 HydrophobicContact CG2-CG1 4.18Å; V133-Q171 HydrophobicContact CG2-CB 3.49Å; V133-Q171 VanDerWaalsContact CG2-CB 3.49Å; V133-Q171 HydrophobicContact CG2-CG 3.88Å; V133-V175 HydrophobicContact CB-CG2 4.46Å; V133-V175 HydrophobicContact CG1-CG2 4.15Å |
| 134 | M | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.2 | -45.1 | -178.3 | -64.4 | -56.2 | -166.4 | 0 | 0 | 112.1 | L70 F90 P96 Q100 I101 L104 I122 R130 T131 G132 C136 A137 C138 | L70-M134 HydrophobicContact CD1-CB 4.19Å; L70-M134 HydrophobicContact CD1-CG 3.79Å; L70-M134 HydrophobicContact CD2-CG 4.01Å; F90-M134 HydrophobicContact CD1-CE 4.2Å; F90-M134 HydrophobicContact CE1-CE 3.68Å; F90-M134 HydrophobicContact CE1-CG 4.27Å; F90-M134 HydrophobicContact CZ-CE 4.3Å; P96-M134 HydrophobicContact CB-CE 3.47Å; P96-M134 VanDerWaalsContact CB-CE 3.47Å; P96-M134 HydrophobicContact CG-CE 3.66Å; P96-M134 HydrophobicContact CG-SD 4.33Å; Q100-M134 HydrophobicContact CB-CE 4.2Å; I101-M134 HydrophobicContact CB-SD 4.49Å; I101-M134 HydrophobicContact CG1-CE 4.36Å; I101-M134 HydrophobicContact CG1-SD 4.1Å; L104-M134 HydrophobicContact CB-SD 4.49Å; L104-M134 HydrophobicContact CD1-CB 4.12Å; L104-M134 HydrophobicContact CD1-CE 4.41Å; L104-M134 HydrophobicContact CD1-CG 3.93Å; L104-M134 HydrophobicContact CD1-SD 4.08Å; L104-M134 HydrophobicContact CD2-CB 4.13Å; I122-M134 HydrophobicContact CG2-CB 4.39Å; R130-M134 PolarHBondContact O-N 2.91Å; T131-M134 PolarHBondContact O-N 3.17Å; G132-M134 PolarHBondContact O-N 3.41Å; M134-C136 PolarHBondContact O-N 3.06Å; M134-A137 PolarHBondContact O-N 3.47Å; M134-C138 PolarHBondContact O-N 3Å; M134-C138 PolarHBondContact O-SG 3.34Å |
| 135 | V | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.6 | -44.8 | 176.6 | 167.8 | 0 | 0 | 0 | 0 | 111.2 | I28 I32 A34 I122 T131 A137 C138 L139 Y155 | I28-V135 HydrophobicContact CB-CG1 4.14Å; I28-V135 HydrophobicContact CG1-CG1 4.12Å; I28-V135 HydrophobicContact CG2-CG1 3.77Å; I32-V135 HydrophobicContact CG2-CG1 4.07Å; I32-V135 HydrophobicContact CG2-CG2 4.06Å; A34-V135 HydrophobicContact CB-CG2 4.35Å; I122-V135 HydrophobicContact CB-CG2 4.22Å; I122-V135 HydrophobicContact CD1-CG2 3.88Å; I122-V135 HydrophobicContact CG1-CG2 4.45Å; T131-V135 HydrophobicContact CG2-CG2 3.87Å; T131-V135 WeakPolarHBondContact O-CB 3.47Å; T131-V135 VanDerWaalsContact O-CG2 3.23Å; T131-V135 WeakPolarHBondContact O-CG2 3.25Å; T131-V135 PolarHBondContact O-N 3.06Å; V135-A137 VanDerWaalsContact C-N 3.3Å; V135-A137 PolarHBondContact O-N 3.28Å; V135-C138 WeakPolarHBondContact O-CB 3.34Å; V135-C138 PolarHBondContact O-N 3.01Å; V135-C138 VanDerWaalsContact O-N 3.17Å; V135-L139 HydrophobicContact CG1-CD1 4.13Å; V135-L139 HydrophobicContact CG1-CG 4.36Å; V135-L139 WeakPolarHBondContact O-CG 3.46Å; V135-L139 PolarHBondContact O-N 3.42Å; V135-Y155 HydrophobicContact CB-CD2 4.09Å; V135-Y155 HydrophobicContact CB-CE2 4.19Å; V135-Y155 HydrophobicContact CG1-CD2 3.68Å; V135-Y155 HydrophobicContact CG1-CE2 4.15Å; V135-Y155 HydrophobicContact CG2-CE2 4.41Å |
| 136 | C | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.3 | -40.3 | 179 | -69 | 0 | 0 | 0 | 0 | 111.4 | G132 V133 M134 L139 L140 S151 Y155 V175 | G132-C136 WeakPolarHBondContact O-CB 3.35Å; G132-C136 PolarHBondContact O-N 3.19Å; G132-C136 PolarHBondContact O-SG 2.86Å; V133-C136 PolarHBondContact O-N 3.08Å; M134-C136 PolarHBondContact O-N 3.06Å; C136-L139 PolarHBondContact O-N 3.5Å; C136-L140 WeakPolarHBondContact O-CG 3.35Å; C136-L140 PolarHBondContact O-N 2.88Å; C136-L140 VanDerWaalsContact O-N 3.16Å; C136-S151 VanDerWaalsContact C-OG 3.32Å; C136-S151 WeakPolarHBondContact CA-OG 3.17Å; C136-S151 WeakPolarHBondContact CB-OG 3.21Å; C136-S151 PolarHBondContact O-OG 3.11Å; C136-Y155 VanDerWaalsContact SG-CB 3.54Å; C136-V175 HydrophobicContact CB-CB 4.48Å; C136-V175 HydrophobicContact CB-CG1 3.68Å; C136-V175 HydrophobicContact CB-CG2 3.9Å |
| 137 | A | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.8 | -39.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I101 C105 V133 M134 V135 L140 R141 Y178 | I101-A137 HydrophobicContact CG2-CB 3.4Å; I101-A137 VanDerWaalsContact CG2-CB 3.4Å; C105-A137 VanDerWaalsContact SG-CB 3.54Å; V133-A137 WeakPolarHBondContact O-CB 3.49Å; V133-A137 PolarHBondContact O-N 3.34Å; M134-A137 PolarHBondContact O-N 3.47Å; V135-A137 VanDerWaalsContact C-N 3.3Å; V135-A137 PolarHBondContact O-N 3.28Å; A137-L140 PolarHBondContact O-N 2.99Å; A137-R141 PolarHBondContact O-N 3.5Å; A137-Y178 HydrophobicContact CB-CD1 3.63Å; A137-Y178 HydrophobicContact CB-CE1 3.97Å; A137-Y178 HydrophobicContact CB-CG 4.12Å; A137-Y178 WeakPolarHBondContact O-CE1 2.82Å |
| 138 | C | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.007 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.2 | -45.2 | 174.4 | -64.5 | 0 | 0 | 0 | 0 | 112.2 | I32 L104 V108 M134 V135 L140 R141 L142 | I32-C138 HydrophobicContact CD1-CB 3.93Å; L104-C138 WeakPolarHBondContact CD2-SG 3.42Å; V108-C138 HydrophobicContact CG1-CB 4.28Å; M134-C138 PolarHBondContact O-N 3Å; M134-C138 PolarHBondContact O-SG 3.34Å; V135-C138 WeakPolarHBondContact O-CB 3.34Å; V135-C138 PolarHBondContact O-N 3.01Å; V135-C138 VanDerWaalsContact O-N 3.17Å; C138-L140 VanDerWaalsContact C-N 3.25Å; C138-L140 PolarHBondContact O-N 2.92Å; C138-R141 PolarHBondContact O-N 2.94Å; C138-R141 VanDerWaalsContact O-N 3.15Å; C138-L142 WeakPolarHBondContact O-CB 3.26Å; C138-L142 VanDerWaalsContact O-CG 3.29Å; C138-L142 WeakPolarHBondContact O-CG 3.35Å; C138-L142 PolarHBondContact O-N 2.87Å |
| 139 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.6 | -40.6 | 177 | -68.7 | 169.6 | 0 | 0 | 0 | 111.4 | I28 I32 V135 C136 H143 D144 V145 F154 | I28-L139 HydrophobicContact CG2-CD1 4.05Å; I32-L139 HydrophobicContact CD1-CD2 4.07Å; I32-L139 HydrophobicContact CD1-CG 4.47Å; V135-L139 HydrophobicContact CG1-CD1 4.13Å; V135-L139 HydrophobicContact CG1-CG 4.36Å; V135-L139 WeakPolarHBondContact O-CG 3.46Å; V135-L139 PolarHBondContact O-N 3.42Å; C136-L139 PolarHBondContact O-N 3.5Å; L139-H143 PolarHBondContact O-N 3.46Å; L139-D144 HydrophobicContact CB-CB 4.37Å; L139-D144 HydrophobicContact CD2-CB 3.8Å; L139-D144 WeakPolarHBondContact CD2-OD2 3.27Å; L139-D144 PolarHBondContact O-N 3.43Å; L139-V145 HydrophobicContact CB-CG1 4.47Å; L139-V145 HydrophobicContact CB-CG2 3.77Å; L139-F154 HydrophobicContact CD1-CD1 3.77Å; L139-F154 HydrophobicContact CD1-CE1 4.26Å; L139-F154 HydrophobicContact CD2-CE1 4.36Å |
| 140 | L | 98.5 | Very high | 98.1 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.6 | -46.8 | 175 | -70.5 | 165.5 | 0 | 0 | 0 | 112 | C136 A137 C138 L142 H143 V145 N147 V175 D179 L182 | C136-L140 WeakPolarHBondContact O-CG 3.35Å; C136-L140 PolarHBondContact O-N 2.88Å; C136-L140 VanDerWaalsContact O-N 3.16Å; A137-L140 PolarHBondContact O-N 2.99Å; C138-L140 VanDerWaalsContact C-N 3.25Å; C138-L140 PolarHBondContact O-N 2.92Å; L140-L142 VanDerWaalsContact C-N 3.3Å; L140-L142 PolarHBondContact O-N 3.21Å; L140-H143 PolarHBondContact O-N 2.9Å; L140-V145 HydrophobicContact CD2-CG2 3.95Å; L140-V145 HydrophobicContact CG-CG2 4.22Å; L140-N147 VanDerWaalsContact CD2-C 3.46Å; L140-V175 HydrophobicContact CD1-CG1 3.89Å; L140-D179 HydrophobicContact CD1-CB 3.93Å; L140-D179 HydrophobicContact CD2-CB 4.42Å; L140-L182 HydrophobicContact CB-CD1 3.88Å |
| 141 | R | 98.1 | Very high | 98.2 | Very high | 51 Ų | 51 | 34.4 Ų | 34.4 | 19% | 0.192 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63 | -36.6 | 179.8 | 176 | 65.7 | 88.6 | 121.3 | -0.5 | 112.3 | C105 E106 N109 A137 C138 H143 Y178 L182 | C105-R141 HydrophobicContact CB-CB 4.23Å; C105-R141 HydrophobicContact CB-CG 4.25Å; E106-R141 IonicContact OE1-CZ 3.06Å; E106-R141 IonicContact OE1-NH1 2.93Å; E106-R141 IonicContact OE1-NH2 2.57Å; E106-R141 PolarHBondContact OE1-NH2 2.91Å; N109-R141 HydrophobicContact CB-CG 4.31Å; A137-R141 PolarHBondContact O-N 3.5Å; C138-R141 PolarHBondContact O-N 2.94Å; C138-R141 VanDerWaalsContact O-N 3.15Å; R141-H143 VanDerWaalsContact C-N 3.26Å; R141-Y178 HydrophobicContact CB-CE1 4.24Å; R141-Y178 PolarHBondContact NE-OH 3.46Å; R141-Y178 PolarHBondContact NH2-OH 2.95Å; R141-L182 HydrophobicContact CB-CD1 4.42Å |
| 142 | L | 97.7 | Very high | 98.2 | Very high | 41 Ų | 41 | 34.6 Ų | 34.6 | 22% | 0.215 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -2.6 | 179.4 | -64.1 | 171.6 | 0 | 0 | 0 | 113.1 | I32 N109 L112 C138 L140 D144 | I32-L142 HydrophobicContact CD1-CD1 3.72Å; I32-L142 HydrophobicContact CG1-CD1 4.45Å; N109-L142 HydrophobicContact CB-CD2 4.33Å; N109-L142 WeakPolarHBondContact OD1-CD2 3.47Å; L112-L142 HydrophobicContact CD1-CD1 3.7Å; L112-L142 HydrophobicContact CD1-CD2 4.3Å; C138-L142 WeakPolarHBondContact O-CB 3.26Å; C138-L142 VanDerWaalsContact O-CG 3.29Å; C138-L142 WeakPolarHBondContact O-CG 3.35Å; C138-L142 PolarHBondContact O-N 2.87Å; L140-L142 VanDerWaalsContact C-N 3.3Å; L140-L142 PolarHBondContact O-N 3.21Å; L142-D144 PolarHBondContact O-N 3.3Å |
| 143 | H | 96.9 | Very high | 98.2 | Very high | 164 Ų | 164 | 40.8 Ų | 40.8 | 76% | 0.759 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 25.8 | -175.1 | -54.5 | -75.7 | 0 | 0 | 0 | 114.3 | L139 L140 R141 V145 | L139-H143 PolarHBondContact O-N 3.46Å; L140-H143 PolarHBondContact O-N 2.9Å; R141-H143 VanDerWaalsContact C-N 3.26Å; H143-V145 PolarHBondContact O-N 3.05Å |
| 144 | D | 96.9 | Very high | 98.2 | Very high | 86 Ų | 86 | 43.7 Ų | 43.7 | 46% | 0.46 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -70.1 | -19.6 | 174 | -75.7 | -15.9 | 0 | 0 | 0 | 111.9 | L139 L142 | L139-D144 HydrophobicContact CB-CB 4.37Å; L139-D144 HydrophobicContact CD2-CB 3.8Å; L139-D144 WeakPolarHBondContact CD2-OD2 3.27Å; L139-D144 PolarHBondContact O-N 3.43Å; L142-D144 PolarHBondContact O-N 3.3Å |
| 145 | V | 97.9 | Very high | 98.2 | Very high | 12 Ų | 12 | 43.7 Ų | 43.7 | 7% | 0.073 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -142.7 | 155.5 | -179.7 | -63.5 | 0 | 0 | 0 | 0 | 110 | L139 L140 H143 E150 F154 | L139-V145 HydrophobicContact CB-CG1 4.47Å; L139-V145 HydrophobicContact CB-CG2 3.77Å; L140-V145 HydrophobicContact CD2-CG2 3.95Å; L140-V145 HydrophobicContact CG-CG2 4.22Å; H143-V145 PolarHBondContact O-N 3.05Å; V145-E150 HydrophobicContact CB-CB 4.48Å; V145-E150 HydrophobicContact CB-CG 4.11Å; V145-E150 HydrophobicContact CG1-CG 4.2Å; V145-F154 HydrophobicContact CG1-CB 4.5Å |
| 146 | M | 96.9 | Very high | 98.1 | Very high | 141 Ų | 141 | 43.7 Ų | 43.7 | 70% | 0.695 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -86.4 | -28 | -171.9 | -58.7 | -177.3 | -72.9 | 0 | 0 | 114.3 | E150 K183 | M146-E150 VanDerWaalsContact CB-OE2 3.27Å; M146-E150 WeakPolarHBondContact CB-OE2 3.46Å; M146-E150 WeakPolarHBondContact CE-OE2 3.47Å; M146-E150 WeakPolarHBondContact CG-OE2 2.87Å; M146-E150 PolarHBondContact N-OE2 3.36Å; M146-K183 PolarHBondContact O-NZ 3.27Å |
| 147 | N | 98.4 | Very high | 98 | Very high | 51 Ų | 51 | 47.9 Ų | 47.9 | 27% | 0.273 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -157.7 | 167.6 | -173.7 | 64.1 | 69.6 | 0 | 0 | 0 | 112.8 | L140 E149 E150 S151 K183 | L140-N147 VanDerWaalsContact CD2-C 3.46Å; N147-E149 VanDerWaalsContact C-N 3.33Å; N147-E149 PolarHBondContact O-N 3.42Å; N147-E149 PolarHBondContact OD1-N 2.91Å; N147-E149 VanDerWaalsContact OD1-N 3.09Å; N147-E150 PolarHBondContact O-N 3.45Å; N147-E150 PolarHBondContact OD1-N 3.02Å; N147-S151 WeakPolarHBondContact O-CB 3.44Å; N147-S151 PolarHBondContact O-N 3.5Å; N147-K183 VanDerWaalsContact CB-NZ 3.31Å |
| 148 | A | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.4 | -38.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | S151 L152 V175 H176 D179 | A148-S151 PolarHBondContact O-N 3.38Å; A148-L152 WeakPolarHBondContact O-CB 3.26Å; A148-L152 WeakPolarHBondContact O-CD1 3.36Å; A148-L152 WeakPolarHBondContact O-CG 3.44Å; A148-L152 PolarHBondContact O-N 3.31Å; A148-V175 HydrophobicContact CB-CG1 3.98Å; A148-H176 HydrophobicContact CB-CB 4.38Å; A148-H176 WeakPolarHBondContact CB-ND1 3.37Å; A148-D179 HydrophobicContact CB-CB 3.82Å; A148-D179 PolarHBondContact N-OD2 3.04Å |
| 149 | E | 98.3 | Very high | 97.9 | Very high | 94 Ų | 94 | 51.1 Ų | 51.1 | 44% | 0.439 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.2 | -43.4 | -179.8 | -74.8 | -59.8 | 162.2 | 0 | 0 | 111.8 | N147 S151 L152 K153 R172 H176 | N147-E149 VanDerWaalsContact C-N 3.33Å; N147-E149 PolarHBondContact O-N 3.42Å; N147-E149 PolarHBondContact OD1-N 2.91Å; N147-E149 VanDerWaalsContact OD1-N 3.09Å; E149-S151 VanDerWaalsContact C-N 3.33Å; E149-L152 PolarHBondContact O-N 2.8Å; E149-K153 VanDerWaalsContact O-CB 3.28Å; E149-K153 WeakPolarHBondContact O-CB 3.21Å; E149-K153 PolarHBondContact O-N 3Å; E149-R172 VanDerWaalsContact CD-NH2 3.34Å; E149-R172 IonicContact OE1-NH2 3.33Å; E149-R172 PolarHBondContact OE1-NH2 3.42Å; E149-R172 VanDerWaalsContact OE1-NH2 3.15Å; E149-R172 IonicContact OE2-CZ 3.5Å; E149-R172 IonicContact OE2-NH2 2.7Å; E149-R172 PolarHBondContact OE2-NH2 2.87Å; E149-H176 IonicContact OE1-CE1 3.58Å; E149-H176 PolarHBondContact OE1-CE1 3.16Å; E149-H176 IonicContact OE1-NE2 3.08Å; E149-H176 PolarHBondContact OE1-NE2 3.15Å |
| 150 | E | 98.1 | Very high | 97.7 | Very high | 73 Ų | 73 | 51.2 Ų | 51.2 | 34% | 0.341 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.4 | -45.6 | 173.7 | -175 | 177.4 | -162.2 | 0 | 0 | 110.9 | V145 M146 N147 L152 K153 F154 | V145-E150 HydrophobicContact CB-CB 4.48Å; V145-E150 HydrophobicContact CB-CG 4.11Å; V145-E150 HydrophobicContact CG1-CG 4.2Å; M146-E150 VanDerWaalsContact CB-OE2 3.27Å; M146-E150 WeakPolarHBondContact CB-OE2 3.46Å; M146-E150 WeakPolarHBondContact CE-OE2 3.47Å; M146-E150 WeakPolarHBondContact CG-OE2 2.87Å; M146-E150 PolarHBondContact N-OE2 3.36Å; N147-E150 PolarHBondContact O-N 3.45Å; N147-E150 PolarHBondContact OD1-N 3.02Å; E150-L152 PolarHBondContact O-N 2.82Å; E150-K153 PolarHBondContact O-N 3.21Å; E150-F154 WeakPolarHBondContact O-CB 3.08Å; E150-F154 PolarHBondContact O-N 3.32Å |
| 151 | S | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58 | -48.9 | 177.2 | -166.6 | 0 | 0 | 0 | 0 | 112.5 | C136 N147 A148 E149 K153 F154 Y155 | C136-S151 VanDerWaalsContact C-OG 3.32Å; C136-S151 WeakPolarHBondContact CA-OG 3.17Å; C136-S151 WeakPolarHBondContact CB-OG 3.21Å; C136-S151 PolarHBondContact O-OG 3.11Å; N147-S151 WeakPolarHBondContact O-CB 3.44Å; N147-S151 PolarHBondContact O-N 3.5Å; A148-S151 PolarHBondContact O-N 3.38Å; E149-S151 VanDerWaalsContact C-N 3.33Å; S151-K153 PolarHBondContact O-N 3.29Å; S151-F154 PolarHBondContact O-N 3.48Å; S151-Y155 WeakPolarHBondContact O-CB 3.36Å; S151-Y155 PolarHBondContact O-N 3.06Å |
| 152 | L | 98.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64 | -41.7 | 179.6 | -72.8 | 164.2 | 0 | 0 | 0 | 112.1 | A148 E149 E150 G156 V166 R172 V175 | A148-L152 WeakPolarHBondContact O-CB 3.26Å; A148-L152 WeakPolarHBondContact O-CD1 3.36Å; A148-L152 WeakPolarHBondContact O-CG 3.44Å; A148-L152 PolarHBondContact O-N 3.31Å; E149-L152 PolarHBondContact O-N 2.8Å; E150-L152 PolarHBondContact O-N 2.82Å; L152-G156 PolarHBondContact O-N 3.33Å; L152-V166 HydrophobicContact CD2-CB 3.73Å; L152-V166 HydrophobicContact CD2-CG1 4.14Å; L152-V166 HydrophobicContact CD2-CG2 4.03Å; L152-R172 HydrophobicContact CD1-CB 4.17Å; L152-R172 HydrophobicContact CD1-CG 4.27Å; L152-R172 HydrophobicContact CD2-CG 4.18Å; L152-V175 HydrophobicContact CD1-CB 4.41Å; L152-V175 HydrophobicContact CD1-CG1 4.45Å; L152-V175 HydrophobicContact CD2-CB 4.26Å; L152-V175 HydrophobicContact CD2-CG1 4.39Å; L152-V175 HydrophobicContact CD2-CG2 3.97Å; L152-V175 HydrophobicContact CG-CB 4.4Å; L152-V175 HydrophobicContact CG-CG1 4.16Å |
| 153 | K | 98.2 | Very high | 97 | Very high | 131 Ų | 131 | 56.6 Ų | 56.6 | 57% | 0.57 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.2 | -52 | 176.4 | -180 | -177.8 | 171.1 | -172 | 0 | 110.7 | E149 E150 S151 Y155 G156 E157 | E149-K153 VanDerWaalsContact O-CB 3.28Å; E149-K153 WeakPolarHBondContact O-CB 3.21Å; E149-K153 PolarHBondContact O-N 3Å; E150-K153 PolarHBondContact O-N 3.21Å; S151-K153 PolarHBondContact O-N 3.29Å; K153-Y155 PolarHBondContact O-N 3.16Å; K153-G156 WeakPolarHBondContact O-CA 3.2Å; K153-G156 PolarHBondContact O-N 3.36Å; K153-E157 WeakPolarHBondContact CE-OE1 3.1Å; K153-E157 HydrophobicContact CG-CG 4.49Å; K153-E157 IonicContact NZ-OE1 2.88Å; K153-E157 WeakPolarHBondContact O-CG 3.48Å; K153-E157 PolarHBondContact O-N 2.99Å |
| 154 | F | 98.2 | Very high | 96.8 | Very high | 61 Ų | 61 | 54.6 Ų | 54.6 | 27% | 0.268 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.8 | -49.1 | 179.9 | -178.2 | -99.3 | 0 | 0 | 0 | 111.2 | I28 L139 V145 E150 S151 G156 E157 Q158 | I28-F154 HydrophobicContact CG2-CD1 4.09Å; I28-F154 HydrophobicContact CG2-CE1 3.86Å; I28-F154 WeakPolarHBondContact O-CE1 3.47Å; I28-F154 WeakPolarHBondContact O-CZ 3.47Å; L139-F154 HydrophobicContact CD1-CD1 3.77Å; L139-F154 HydrophobicContact CD1-CE1 4.26Å; L139-F154 HydrophobicContact CD2-CE1 4.36Å; V145-F154 HydrophobicContact CG1-CB 4.5Å; E150-F154 WeakPolarHBondContact O-CB 3.08Å; E150-F154 PolarHBondContact O-N 3.32Å; S151-F154 PolarHBondContact O-N 3.48Å; F154-G156 VanDerWaalsContact C-N 3.32Å; F154-G156 PolarHBondContact O-N 3.22Å; F154-E157 PolarHBondContact O-N 3.31Å; F154-Q158 HydrophobicContact CD1-CG 4.26Å; F154-Q158 HydrophobicContact CD2-CG 4.39Å; F154-Q158 HydrophobicContact CE1-CG 3.97Å; F154-Q158 HydrophobicContact CE2-CG 4.09Å; F154-Q158 HydrophobicContact CG-CG 4.47Å; F154-Q158 HydrophobicContact CZ-CG 3.87Å; F154-Q158 WeakPolarHBondContact O-CB 3.31Å; F154-Q158 WeakPolarHBondContact O-CG 3.34Å; F154-Q158 PolarHBondContact O-N 3.15Å |
| 155 | Y | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.6 | -43.9 | 174.4 | 174.5 | -102.3 | 0 | 0 | 0 | 112.2 | I28 A34 G127 K128 G132 V135 C136 S151 K153 E157 Q158 R159 V166 | I28-Y155 HydrophobicContact CD1-CD2 3.87Å; I28-Y155 HydrophobicContact CD1-CE2 3.94Å; I28-Y155 HydrophobicContact CG1-CD2 4.08Å; I28-Y155 HydrophobicContact CG1-CE2 4.19Å; I28-Y155 HydrophobicContact CG2-CD2 4.19Å; A34-Y155 HydrophobicContact CB-CE2 4.04Å; G127-Y155 PolarHBondContact O-OH 3Å; K128-Y155 WeakPolarHBondContact CA-OH 3.06Å; K128-Y155 PolarHBondContact O-OH 3.47Å; G132-Y155 PolarHBondContact N-OH 2.91Å; V135-Y155 HydrophobicContact CB-CD2 4.09Å; V135-Y155 HydrophobicContact CB-CE2 4.19Å; V135-Y155 HydrophobicContact CG1-CD2 3.68Å; V135-Y155 HydrophobicContact CG1-CE2 4.15Å; V135-Y155 HydrophobicContact CG2-CE2 4.41Å; C136-Y155 VanDerWaalsContact SG-CB 3.54Å; S151-Y155 WeakPolarHBondContact O-CB 3.36Å; S151-Y155 PolarHBondContact O-N 3.06Å; K153-Y155 PolarHBondContact O-N 3.16Å; Y155-E157 PolarHBondContact O-N 3.46Å; Y155-Q158 PolarHBondContact O-N 3.46Å; Y155-R159 HydrophobicContact CD2-CB 4.38Å; Y155-R159 HydrophobicContact CE1-CB 4.31Å; Y155-R159 HydrophobicContact CE1-CG 4.45Å; Y155-R159 HydrophobicContact CE2-CB 3.97Å; Y155-R159 HydrophobicContact CE2-CG 4.13Å; Y155-R159 WeakPolarHBondContact O-CB 3.39Å; Y155-R159 PolarHBondContact O-N 2.98Å; Y155-V166 HydrophobicContact CD1-CG2 3.95Å; Y155-V166 HydrophobicContact CE1-CG2 4.01Å |
| 156 | G | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.9 | -47.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L152 K153 F154 T160 G163 | L152-G156 PolarHBondContact O-N 3.33Å; K153-G156 WeakPolarHBondContact O-CA 3.2Å; K153-G156 PolarHBondContact O-N 3.36Å; F154-G156 VanDerWaalsContact C-N 3.32Å; F154-G156 PolarHBondContact O-N 3.22Å; G156-T160 PolarHBondContact O-N 3.34Å; G156-T160 PolarHBondContact O-OG1 3.33Å; G156-G163 WeakPolarHBondContact CA-O 3.05Å |
| 157 | E | 97.3 | Very high | 96.6 | Very high | 87 Ų | 87 | 47.3 Ų | 47.3 | 41% | 0.407 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.3 | -40.3 | 179.5 | -70.5 | 172.7 | 171.4 | 0 | 0 | 112.2 | K14 K153 F154 Y155 | K14-E157 WeakPolarHBondContact CE-O 3.36Å; K14-E157 PolarHBondContact NZ-O 3.3Å; K153-E157 WeakPolarHBondContact CE-OE1 3.1Å; K153-E157 HydrophobicContact CG-CG 4.49Å; K153-E157 IonicContact NZ-OE1 2.88Å; K153-E157 WeakPolarHBondContact O-CG 3.48Å; K153-E157 PolarHBondContact O-N 2.99Å; F154-E157 PolarHBondContact O-N 3.31Å; Y155-E157 PolarHBondContact O-N 3.46Å |
| 158 | Q | 97 | Very high | 96.5 | Very high | 71 Ų | 71 | 47 Ų | 47 | 33% | 0.332 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -75.5 | -30.7 | 179.2 | -64.8 | -56.5 | -20.3 | 0 | 0 | 113 | K14 I28 F154 Y155 | K14-Q158 WeakPolarHBondContact CD-O 3.4Å; I28-Q158 HydrophobicContact CD1-CB 3.81Å; I28-Q158 HydrophobicContact CG2-CB 4.35Å; F154-Q158 HydrophobicContact CD1-CG 4.26Å; F154-Q158 HydrophobicContact CD2-CG 4.39Å; F154-Q158 HydrophobicContact CE1-CG 3.97Å; F154-Q158 HydrophobicContact CE2-CG 4.09Å; F154-Q158 HydrophobicContact CG-CG 4.47Å; F154-Q158 HydrophobicContact CZ-CG 3.87Å; F154-Q158 WeakPolarHBondContact O-CB 3.31Å; F154-Q158 WeakPolarHBondContact O-CG 3.34Å; F154-Q158 PolarHBondContact O-N 3.15Å; Y155-Q158 PolarHBondContact O-N 3.46Å |
| 159 | R | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -92.9 | -25.7 | -176.3 | -169.8 | 55.8 | 178.7 | 125.3 | 5.8 | 114.2 | K14 D24 S26 I28 A126 G127 Y155 | K14-R159 PolarHBondContact N-O 2.9Å; K14-R159 PolarHBondContact O-NH1 3.22Å; D24-R159 IonicContact OD1-CZ 3.84Å; D24-R159 IonicContact OD1-NH1 2.91Å; D24-R159 PolarHBondContact OD1-NH1 2.9Å; D24-R159 VanDerWaalsContact OD1-NH1 3.08Å; D24-R159 IonicContact OD1-NH2 2.78Å; D24-R159 PolarHBondContact OD1-NH2 3.48Å; D24-R159 IonicContact OD2-NH2 3.92Å; S26-R159 WeakPolarHBondContact OG-CD 3.29Å; S26-R159 PolarHBondContact OG-NH1 3.42Å; I28-R159 HydrophobicContact CD1-CB 3.93Å; A126-R159 PolarHBondContact O-NH2 3.06Å; G127-R159 PolarHBondContact O-NE 2.9Å; G127-R159 PolarHBondContact O-NH2 3.41Å; Y155-R159 HydrophobicContact CD2-CB 4.38Å; Y155-R159 HydrophobicContact CE1-CB 4.31Å; Y155-R159 HydrophobicContact CE1-CG 4.45Å; Y155-R159 HydrophobicContact CE2-CB 3.97Å; Y155-R159 HydrophobicContact CE2-CG 4.13Å; Y155-R159 WeakPolarHBondContact O-CB 3.39Å; Y155-R159 PolarHBondContact O-N 2.98Å |
| 160 | T | 95.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -138.3 | 150.9 | -171.9 | 68.6 | 0 | 0 | 0 | 0 | 112.8 | H12 K13 G156 N162 G163 K164 | H12-T160 CarbonylContact O-C 3.56Å; H12-T160 WeakPolarHBondContact O-CA 3.49Å; H12-T160 VanDerWaalsContact O-CB 3.3Å; H12-T160 WeakPolarHBondContact O-CB 3.49Å; K13-T160 HydrophobicContact CG-CG2 4.44Å; G156-T160 PolarHBondContact O-N 3.34Å; G156-T160 PolarHBondContact O-OG1 3.33Å; T160-N162 VanDerWaalsContact C-N 3.26Å; T160-N162 PolarHBondContact O-N 3.14Å; T160-N162 PolarHBondContact OG1-OD1 3.35Å; T160-G163 WeakPolarHBondContact OG1-CA 3.43Å; T160-G163 PolarHBondContact OG1-N 3Å; T160-K164 PolarHBondContact OG1-N 2.95Å |
| 161 | D | 92.6 | Very high | 96.2 | Very high | 107 Ų | 107 | 45.3 Ų | 45.3 | 57% | 0.572 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -19.6 | 178.8 | -58.1 | -41.2 | 0 | 0 | 0 | 112.8 | H12 K14 | H12-D161 PolarHBondContact O-N 3.34Å; K14-D161 WeakPolarHBondContact CE-OD1 3.3Å; K14-D161 WeakPolarHBondContact CG-OD1 3.33Å |
| 162 | N | 92.9 | Very high | 96.2 | Very high | 67 Ų | 67 | 48.6 Ų | 48.6 | 36% | 0.358 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 10.6 | -178 | 66.1 | -1.3 | 0 | 0 | 0 | 113.6 | T160 K164 | T160-N162 VanDerWaalsContact C-N 3.26Å; T160-N162 PolarHBondContact O-N 3.14Å; T160-N162 PolarHBondContact OG1-OD1 3.35Å; N162-K164 PolarHBondContact O-N 2.69Å; N162-K164 VanDerWaalsContact O-N 3.07Å; N162-K164 WeakPolarHBondContact OD1-CB 3.4Å; N162-K164 PolarHBondContact OD1-N 3.13Å; N162-K164 VanDerWaalsContact OD1-N 3.13Å |
| 163 | G | 93.8 | Very high | 96.1 | Very high | 37 Ų | 37 | 53.2 Ų | 53.2 | 38% | 0.381 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 67.5 | 2.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | G156 T160 G165 | G156-G163 WeakPolarHBondContact CA-O 3.05Å; T160-G163 WeakPolarHBondContact OG1-CA 3.43Å; T160-G163 PolarHBondContact OG1-N 3Å; G163-G165 PolarHBondContact O-N 2.91Å |
| 164 | K | 92.4 | Very high | 96.1 | Very high | 123 Ų | 123 | 47.1 Ų | 47.1 | 54% | 0.535 | 25% | 0.245 | S | C | . | . | trans | -92.6 | 74.1 | -175.5 | -65.7 | -174.2 | 178.7 | -178.1 | 0 | 111.1 | K128 T160 N162 T167 | K128-K164 WeakPolarHBondContact CE-O 3.33Å; K128-K164 PolarHBondContact NZ-O 2.89Å; T160-K164 PolarHBondContact OG1-N 2.95Å; N162-K164 PolarHBondContact O-N 2.69Å; N162-K164 VanDerWaalsContact O-N 3.07Å; N162-K164 WeakPolarHBondContact OD1-CB 3.4Å; N162-K164 PolarHBondContact OD1-N 3.13Å; N162-K164 VanDerWaalsContact OD1-N 3.13Å; K164-T167 HydrophobicContact CB-CG2 3.79Å; K164-T167 HydrophobicContact CG-CG2 4.34Å | ||
| 165 | G | 95.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -75.8 | -88 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K128 G163 | K128-G165 VanDerWaalsContact CE-O 3.26Å; K128-G165 WeakPolarHBondContact CE-O 2.97Å; K128-G165 WeakPolarHBondContact CG-O 3.49Å; G163-G165 PolarHBondContact O-N 2.91Å |
| 166 | V | 97.2 | Very high | 96.1 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 4% | 0.036 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -90.1 | 111.6 | 175.7 | -172.3 | 0 | 0 | 0 | 0 | 109.5 | G132 V133 L152 Y155 Q171 R172 | G132-V166 VanDerWaalsContact C-CG2 3.48Å; V133-V166 HydrophobicContact CG2-CG1 4.18Å; L152-V166 HydrophobicContact CD2-CB 3.73Å; L152-V166 HydrophobicContact CD2-CG1 4.14Å; L152-V166 HydrophobicContact CD2-CG2 4.03Å; Y155-V166 HydrophobicContact CD1-CG2 3.95Å; Y155-V166 HydrophobicContact CE1-CG2 4.01Å; V166-Q171 HydrophobicContact CG1-CB 3.56Å; V166-R172 HydrophobicContact CB-CG 4.37Å; V166-R172 HydrophobicContact CG1-CG 3.82Å |
| 167 | T | 95.7 | Very high | 96.1 | Very high | 77 Ų | 77 | 48.2 Ų | 48.2 | 47% | 0.472 | 25% | 0.25 | S | C | . | . | trans | -114.9 | -24.3 | -172.8 | 47.5 | 0 | 0 | 0 | 0 | 113.6 | K164 P169 | K164-T167 HydrophobicContact CB-CG2 3.79Å; K164-T167 HydrophobicContact CG-CG2 4.34Å; T167-P169 WeakPolarHBondContact O-CD 3.48Å | ||
| 168 | I | 95.3 | Very high | 96.1 | Very high | 45 Ų | 45 | 44 Ų | 44 | 23% | 0.231 | 23% | 0.23 | C | C | . | . | trans | -71.6 | 125.8 | -179.7 | -60.6 | 178.7 | 0 | 0 | 0 | 108.5 | H93 S170 Q171 R172 | H93-I168 HydrophobicContact CB-CD1 3.85Å; H93-I168 WeakPolarHBondContact O-CD1 3.32Å; I168-S170 VanDerWaalsContact C-N 3.33Å; I168-S170 VanDerWaalsContact CG2-OG 3.26Å; I168-S170 WeakPolarHBondContact CG2-OG 3.28Å; I168-S170 PolarHBondContact O-N 2.77Å; I168-Q171 HydrophobicContact CB-CB 4.13Å; I168-Q171 HydrophobicContact CB-CG 4.05Å; I168-Q171 HydrophobicContact CG2-CG 4.31Å; I168-Q171 WeakPolarHBondContact O-CB 3.38Å; I168-Q171 PolarHBondContact O-N 3.02Å; I168-Q171 VanDerWaalsContact O-N 3.11Å; I168-R172 PolarHBondContact O-N 2.93Å | ||
| 169 | P | 95.9 | Very high | 96.1 | Very high | 94 Ų | 94 | 41.6 Ų | 41.6 | 61% | 0.61 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -58.2 | -39.4 | -176.4 | -28.4 | 35.9 | 0 | 0 | 0 | 114.1 | T167 R172 R173 | T167-P169 WeakPolarHBondContact O-CD 3.48Å; P169-R172 PolarHBondContact O-N 3.49Å; P169-R173 VanDerWaalsContact O-CB 3.32Å; P169-R173 WeakPolarHBondContact O-CB 3.36Å; P169-R173 PolarHBondContact O-N 2.74Å |
| 170 | S | 95.4 | Very high | 96.1 | Very high | 36 Ų | 36 | 44.7 Ų | 44.7 | 25% | 0.252 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.4 | -43.1 | 175.7 | 54.9 | 0 | 0 | 0 | 0 | 111.7 | I168 R172 R173 Y174 | I168-S170 VanDerWaalsContact C-N 3.33Å; I168-S170 VanDerWaalsContact CG2-OG 3.26Å; I168-S170 WeakPolarHBondContact CG2-OG 3.28Å; I168-S170 PolarHBondContact O-N 2.77Å; S170-R172 PolarHBondContact O-N 3.34Å; S170-R173 WeakPolarHBondContact O-CB 3.16Å; S170-R173 PolarHBondContact O-N 3.06Å; S170-Y174 WeakPolarHBondContact O-CD2 3.36Å; S170-Y174 PolarHBondContact O-N 2.91Å |
| 171 | Q | 97.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 175.3 | -73.1 | -177.6 | -15.6 | 0 | 0 | 112.4 | N94 G129 V133 V166 I168 R173 Y174 | N94-Q171 PolarHBondContact O-NE2 3.15Å; G129-Q171 VanDerWaalsContact CA-OE1 3.29Å; V133-Q171 HydrophobicContact CG2-CB 3.49Å; V133-Q171 VanDerWaalsContact CG2-CB 3.49Å; V133-Q171 HydrophobicContact CG2-CG 3.88Å; V166-Q171 HydrophobicContact CG1-CB 3.56Å; I168-Q171 HydrophobicContact CB-CB 4.13Å; I168-Q171 HydrophobicContact CB-CG 4.05Å; I168-Q171 HydrophobicContact CG2-CG 4.31Å; I168-Q171 WeakPolarHBondContact O-CB 3.38Å; I168-Q171 PolarHBondContact O-N 3.02Å; I168-Q171 VanDerWaalsContact O-N 3.11Å; Q171-R173 VanDerWaalsContact C-N 3.34Å; Q171-R173 PolarHBondContact O-N 3.48Å; Q171-Y174 PolarHBondContact O-N 2.75Å |
| 172 | R | 98 | Very high | 96.4 | Very high | 69 Ų | 69 | 43 Ų | 43 | 26% | 0.26 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.4 | -44.7 | 175.4 | -67.2 | 178.7 | 58.4 | 85.3 | 3 | 111.2 | E149 L152 V166 I168 P169 S170 Y174 V175 H176 | E149-R172 VanDerWaalsContact CD-NH2 3.34Å; E149-R172 IonicContact OE1-NH2 3.33Å; E149-R172 PolarHBondContact OE1-NH2 3.42Å; E149-R172 VanDerWaalsContact OE1-NH2 3.15Å; E149-R172 IonicContact OE2-CZ 3.5Å; E149-R172 IonicContact OE2-NH2 2.7Å; E149-R172 PolarHBondContact OE2-NH2 2.87Å; L152-R172 HydrophobicContact CD1-CB 4.17Å; L152-R172 HydrophobicContact CD1-CG 4.27Å; L152-R172 HydrophobicContact CD2-CG 4.18Å; V166-R172 HydrophobicContact CB-CG 4.37Å; V166-R172 HydrophobicContact CG1-CG 3.82Å; I168-R172 PolarHBondContact O-N 2.93Å; P169-R172 PolarHBondContact O-N 3.49Å; S170-R172 PolarHBondContact O-N 3.34Å; R172-Y174 PolarHBondContact O-N 2.92Å; R172-V175 WeakPolarHBondContact O-CB 3.44Å; R172-V175 PolarHBondContact O-N 3.47Å; R172-H176 PolarHBondContact O-CD2 3.23Å; R172-H176 PolarHBondContact O-N 3.4Å |
| 173 | R | 97.4 | Very high | 96.5 | Very high | 100 Ų | 100 | 45.3 Ų | 45.3 | 38% | 0.377 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -53.1 | -41.8 | 178.5 | -170.8 | -171.9 | -59.9 | 148.1 | -4.9 | 111.8 | P169 S170 Q171 V175 H176 Y177 | P169-R173 VanDerWaalsContact O-CB 3.32Å; P169-R173 WeakPolarHBondContact O-CB 3.36Å; P169-R173 PolarHBondContact O-N 2.74Å; S170-R173 WeakPolarHBondContact O-CB 3.16Å; S170-R173 PolarHBondContact O-N 3.06Å; Q171-R173 VanDerWaalsContact C-N 3.34Å; Q171-R173 PolarHBondContact O-N 3.48Å; R173-V175 VanDerWaalsContact C-N 3.29Å; R173-V175 PolarHBondContact O-N 2.96Å; R173-H176 WeakPolarHBondContact O-CB 3.49Å; R173-H176 PolarHBondContact O-N 2.97Å; R173-H176 VanDerWaalsContact O-N 3.15Å; R173-Y177 VanDerWaalsContact CD-OH 3.26Å; R173-Y177 WeakPolarHBondContact CD-OH 3.27Å; R173-Y177 HydrophobicContact CG-CD1 4.09Å; R173-Y177 HydrophobicContact CG-CD2 4.13Å; R173-Y177 HydrophobicContact CG-CE1 3.63Å; R173-Y177 HydrophobicContact CG-CE2 3.62Å; R173-Y177 HydrophobicContact CG-CG 4.38Å; R173-Y177 WeakPolarHBondContact O-CB 3.38Å; R173-Y177 WeakPolarHBondContact O-CD1 3.49Å; R173-Y177 PolarHBondContact O-N 3.24Å |
| 174 | Y | 97.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.8 | -27.4 | 179.7 | -85.8 | -115.5 | 0 | 0 | 0 | 113.5 | A95 P96 F98 I101 S170 Q171 R172 Y177 Y178 I269 Q270 | A95-Y174 HydrophobicContact CB-CD1 3.91Å; A95-Y174 HydrophobicContact CB-CD2 3.49Å; A95-Y174 VanDerWaalsContact CB-CD2 3.49Å; A95-Y174 HydrophobicContact CB-CE1 4.17Å; A95-Y174 HydrophobicContact CB-CE2 3.76Å; A95-Y174 HydrophobicContact CB-CG 3.58Å; P96-Y174 VanDerWaalsContact O-CD1 3.31Å; P96-Y174 WeakPolarHBondContact O-CD1 3.26Å; P96-Y174 WeakPolarHBondContact O-CE1 3.38Å; F98-Y174 HydrophobicContact CD2-CD1 4.46Å; I101-Y174 HydrophobicContact CD1-CD1 3.93Å; I101-Y174 HydrophobicContact CD1-CG 4.48Å; S170-Y174 WeakPolarHBondContact O-CD2 3.36Å; S170-Y174 PolarHBondContact O-N 2.91Å; Q171-Y174 PolarHBondContact O-N 2.75Å; R172-Y174 PolarHBondContact O-N 2.92Å; Y174-Y177 AromaticContact CD2-CD2 3.97Å; Y174-Y177 HydrophobicContact CD2-CD2 3.97Å; Y174-Y177 HydrophobicContact CD2-CE2 4.22Å; Y174-Y177 HydrophobicContact CE2-CD2 4.12Å; Y174-Y177 HydrophobicContact CE2-CE2 4.03Å; Y174-Y177 HydrophobicContact CG-CD2 4.24Å; Y174-Y178 PolarHBondContact O-N 3.38Å; Y174-Y178 VanDerWaalsContact O-N 3.1Å; Y174-I269 PolarHBondContact OH-O 2.81Å; Y174-Q270 HydrophobicContact CE1-CG 4.49Å; Y174-Q270 WeakPolarHBondContact OH-CA 3.35Å; Y174-Q270 WeakPolarHBondContact OH-CG 3.45Å |
| 175 | V | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.1 | -43.3 | 170.7 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | V133 C136 L140 A148 L152 R172 R173 Y177 Y178 D179 | V133-V175 HydrophobicContact CB-CG2 4.46Å; V133-V175 HydrophobicContact CG1-CG2 4.15Å; C136-V175 HydrophobicContact CB-CB 4.48Å; C136-V175 HydrophobicContact CB-CG1 3.68Å; C136-V175 HydrophobicContact CB-CG2 3.9Å; L140-V175 HydrophobicContact CD1-CG1 3.89Å; A148-V175 HydrophobicContact CB-CG1 3.98Å; L152-V175 HydrophobicContact CD1-CB 4.41Å; L152-V175 HydrophobicContact CD1-CG1 4.45Å; L152-V175 HydrophobicContact CD2-CB 4.26Å; L152-V175 HydrophobicContact CD2-CG1 4.39Å; L152-V175 HydrophobicContact CD2-CG2 3.97Å; L152-V175 HydrophobicContact CG-CB 4.4Å; L152-V175 HydrophobicContact CG-CG1 4.16Å; R172-V175 WeakPolarHBondContact O-CB 3.44Å; R172-V175 PolarHBondContact O-N 3.47Å; R173-V175 VanDerWaalsContact C-N 3.29Å; R173-V175 PolarHBondContact O-N 2.96Å; V175-Y177 VanDerWaalsContact C-N 3.32Å; V175-Y177 PolarHBondContact O-N 3.32Å; V175-Y178 PolarHBondContact O-N 3.09Å; V175-D179 PolarHBondContact O-N 3.33Å |
| 176 | H | 98.2 | Very high | 96.3 | Very high | 55 Ų | 55 | 49.4 Ų | 49.4 | 26% | 0.255 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 174.1 | -68.7 | -82.3 | 0 | 0 | 0 | 112.6 | A148 E149 R172 R173 Y178 D179 L180 | A148-H176 HydrophobicContact CB-CB 4.38Å; A148-H176 WeakPolarHBondContact CB-ND1 3.37Å; E149-H176 IonicContact OE1-CE1 3.58Å; E149-H176 PolarHBondContact OE1-CE1 3.16Å; E149-H176 IonicContact OE1-NE2 3.08Å; E149-H176 PolarHBondContact OE1-NE2 3.15Å; R172-H176 PolarHBondContact O-CD2 3.23Å; R172-H176 PolarHBondContact O-N 3.4Å; R173-H176 WeakPolarHBondContact O-CB 3.49Å; R173-H176 PolarHBondContact O-N 2.97Å; R173-H176 VanDerWaalsContact O-N 3.15Å; H176-Y178 VanDerWaalsContact C-N 3.29Å; H176-Y178 PolarHBondContact O-N 2.98Å; H176-D179 PolarHBondContact O-N 3.38Å; H176-L180 WeakPolarHBondContact O-CG 3.47Å; H176-L180 PolarHBondContact O-N 2.82Å |
| 177 | Y | 97.2 | Very high | 96 | Very high | 29 Ų | 29 | 55.6 Ų | 55.6 | 11% | 0.114 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.4 | -42.3 | 174.2 | -71.5 | -10.8 | 0 | 0 | 0 | 111.6 | R173 Y174 V175 F181 L266 L267 F268 | R173-Y177 VanDerWaalsContact CD-OH 3.26Å; R173-Y177 WeakPolarHBondContact CD-OH 3.27Å; R173-Y177 HydrophobicContact CG-CD1 4.09Å; R173-Y177 HydrophobicContact CG-CD2 4.13Å; R173-Y177 HydrophobicContact CG-CE1 3.63Å; R173-Y177 HydrophobicContact CG-CE2 3.62Å; R173-Y177 HydrophobicContact CG-CG 4.38Å; R173-Y177 WeakPolarHBondContact O-CB 3.38Å; R173-Y177 WeakPolarHBondContact O-CD1 3.49Å; R173-Y177 PolarHBondContact O-N 3.24Å; Y174-Y177 AromaticContact CD2-CD2 3.97Å; Y174-Y177 HydrophobicContact CD2-CD2 3.97Å; Y174-Y177 HydrophobicContact CD2-CE2 4.22Å; Y174-Y177 HydrophobicContact CE2-CD2 4.12Å; Y174-Y177 HydrophobicContact CE2-CE2 4.03Å; Y174-Y177 HydrophobicContact CG-CD2 4.24Å; V175-Y177 VanDerWaalsContact C-N 3.32Å; V175-Y177 PolarHBondContact O-N 3.32Å; Y177-F181 WeakPolarHBondContact O-CB 3.39Å; Y177-F181 PolarHBondContact O-N 3.19Å; Y177-L266 HydrophobicContact CD1-CD2 4.45Å; Y177-L267 PolarHBondContact OH-O 2.82Å; Y177-F268 VanDerWaalsContact CB-CZ 3.5Å; Y177-F268 AromaticContact CD1-CD1 3.51Å; Y177-F268 HydrophobicContact CD1-CD1 3.51Å; Y177-F268 AromaticContact CD1-CE1 3.21Å; Y177-F268 HydrophobicContact CD1-CE1 3.21Å; Y177-F268 HydrophobicContact CD1-CZ 4.32Å; Y177-F268 HydrophobicContact CD2-CB 4.18Å; Y177-F268 AromaticContact CD2-CD1 3.12Å; Y177-F268 HydrophobicContact CD2-CD1 3.12Å; Y177-F268 AromaticContact CD2-CE1 3.37Å; Y177-F268 HydrophobicContact CD2-CE1 3.37Å; Y177-F268 AromaticContact CD2-CG 3.8Å; Y177-F268 HydrophobicContact CD2-CG 3.8Å; Y177-F268 HydrophobicContact CD2-CZ 4.19Å; Y177-F268 AromaticContact CE1-CD1 3.5Å; Y177-F268 HydrophobicContact CE1-CD1 3.5Å; Y177-F268 VanDerWaalsContact CE1-CD1 3.5Å; Y177-F268 AromaticContact CE1-CE1 3.67Å; Y177-F268 HydrophobicContact CE1-CE1 3.67Å; Y177-F268 HydrophobicContact CE2-CB 3.78Å; Y177-F268 AromaticContact CE2-CD1 3.16Å; Y177-F268 HydrophobicContact CE2-CD1 3.16Å; Y177-F268 AromaticContact CE2-CE1 3.86Å; Y177-F268 HydrophobicContact CE2-CE1 3.86Å; Y177-F268 AromaticContact CE2-CG 3.8Å; Y177-F268 HydrophobicContact CE2-CG 3.8Å; Y177-F268 AromaticContact CG-CD1 3.28Å; Y177-F268 HydrophobicContact CG-CD1 3.28Å; Y177-F268 AromaticContact CG-CE1 2.97Å; Y177-F268 HydrophobicContact CG-CE1 2.97Å; Y177-F268 HydrophobicContact CG-CG 4.29Å; Y177-F268 AromaticContact CG-CZ 3.81Å; Y177-F268 HydrophobicContact CG-CZ 3.81Å; Y177-F268 AromaticContact CZ-CD1 3.3Å; Y177-F268 AromaticContact CZ-CE1 3.96Å |
| 178 | Y | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.3 | -37.9 | 177 | -164.2 | -106.6 | 0 | 0 | 0 | 113.1 | F98 I101 I102 C105 A137 R141 Y174 V175 H176 L180 F181 L182 | F98-Y178 HydrophobicContact CE2-CD2 4.35Å; F98-Y178 HydrophobicContact CZ-CD2 4.06Å; I101-Y178 HydrophobicContact CB-CD2 4.26Å; I101-Y178 HydrophobicContact CG2-CD1 4.29Å; I101-Y178 HydrophobicContact CG2-CD2 3.48Å; I101-Y178 VanDerWaalsContact CG2-CD2 3.48Å; I101-Y178 HydrophobicContact CG2-CE2 3.78Å; I101-Y178 HydrophobicContact CG2-CG 3.75Å; I102-Y178 HydrophobicContact CG1-CE2 4.02Å; C105-Y178 HydrophobicContact CB-CE1 4.33Å; C105-Y178 WeakPolarHBondContact CB-OH 3.44Å; A137-Y178 HydrophobicContact CB-CD1 3.63Å; A137-Y178 HydrophobicContact CB-CE1 3.97Å; A137-Y178 HydrophobicContact CB-CG 4.12Å; A137-Y178 WeakPolarHBondContact O-CE1 2.82Å; R141-Y178 HydrophobicContact CB-CE1 4.24Å; R141-Y178 PolarHBondContact NE-OH 3.46Å; R141-Y178 PolarHBondContact NH2-OH 2.95Å; Y174-Y178 PolarHBondContact O-N 3.38Å; Y174-Y178 VanDerWaalsContact O-N 3.1Å; V175-Y178 PolarHBondContact O-N 3.09Å; H176-Y178 VanDerWaalsContact C-N 3.29Å; H176-Y178 PolarHBondContact O-N 2.98Å; Y178-L180 PolarHBondContact O-N 2.86Å; Y178-F181 HydrophobicContact CD2-CD1 4.06Å; Y178-F181 AromaticContact CE2-CD1 3.87Å; Y178-F181 HydrophobicContact CE2-CD1 3.87Å; Y178-F181 HydrophobicContact CE2-CE1 4.15Å; Y178-F181 WeakPolarHBondContact O-CB 3.4Å; Y178-F181 PolarHBondContact O-N 2.95Å; Y178-L182 HydrophobicContact CD1-CD1 3.89Å; Y178-L182 HydrophobicContact CD1-CG 4.25Å; Y178-L182 HydrophobicContact CE1-CD1 3.58Å; Y178-L182 HydrophobicContact CE1-CD2 4.27Å; Y178-L182 HydrophobicContact CE1-CG 3.96Å; Y178-L182 WeakPolarHBondContact O-CG 3.49Å; Y178-L182 PolarHBondContact O-N 3.21Å |
| 179 | D | 98.1 | Very high | 95.5 | Very high | 19 Ų | 19 | 55.9 Ų | 55.9 | 10% | 0.102 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 172.6 | -175.5 | 22.8 | 0 | 0 | 0 | 111.4 | L140 A148 V175 H176 F181 L182 K183 | L140-D179 HydrophobicContact CD1-CB 3.93Å; L140-D179 HydrophobicContact CD2-CB 4.42Å; A148-D179 HydrophobicContact CB-CB 3.82Å; A148-D179 PolarHBondContact N-OD2 3.04Å; V175-D179 PolarHBondContact O-N 3.33Å; H176-D179 PolarHBondContact O-N 3.38Å; D179-F181 PolarHBondContact O-N 2.99Å; D179-L182 PolarHBondContact O-N 3.17Å; D179-K183 WeakPolarHBondContact O-CB 3.37Å; D179-K183 WeakPolarHBondContact O-CG 3.46Å; D179-K183 PolarHBondContact O-N 3.24Å; D179-K183 VanDerWaalsContact OD1-CD 3.29Å; D179-K183 WeakPolarHBondContact OD1-CD 2.92Å; D179-K183 WeakPolarHBondContact OD1-CE 3.29Å; D179-K183 IonicContact OD1-NZ 3.79Å; D179-K183 PolarHBondContact OD1-NZ 3.47Å; D179-K183 IonicContact OD2-NZ 2.81Å; D179-K183 PolarHBondContact OD2-NZ 3.49Å |
| 180 | L | 96.6 | Very high | 95.1 | Very high | 65 Ų | 65 | 58 Ų | 58 | 34% | 0.34 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 174.9 | -74.3 | 165.9 | 0 | 0 | 0 | 112.1 | H176 Y178 N184 L186 L266 | H176-L180 WeakPolarHBondContact O-CG 3.47Å; H176-L180 PolarHBondContact O-N 2.82Å; Y178-L180 PolarHBondContact O-N 2.86Å; L180-N184 WeakPolarHBondContact O-CB 3.16Å; L180-N184 PolarHBondContact O-N 3.1Å; L180-N184 VanDerWaalsContact O-N 3.15Å; L180-N184 PolarHBondContact O-ND2 3.45Å; L180-L186 WeakPolarHBondContact O-CD1 3.46Å; L180-L266 HydrophobicContact CB-CD2 4.23Å; L180-L266 HydrophobicContact CD1-CD1 4.33Å; L180-L266 HydrophobicContact CD1-CD2 3.56Å |
| 181 | F | 96.4 | Very high | 94.6 | Very high | 24 Ų | 24 | 58.8 Ų | 58.8 | 11% | 0.105 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.2 | -50.2 | 174.6 | 170 | -98.6 | 0 | 0 | 0 | 112.2 | F98 I102 Y177 Y178 D179 N185 L186 L255 | F98-F181 HydrophobicContact CE1-CB 4.26Å; F98-F181 HydrophobicContact CE1-CD2 4.03Å; F98-F181 HydrophobicContact CE1-CG 4.1Å; F98-F181 HydrophobicContact CZ-CB 3.73Å; F98-F181 HydrophobicContact CZ-CD2 4.36Å; F98-F181 HydrophobicContact CZ-CG 4.03Å; I102-F181 HydrophobicContact CD1-CE1 4.43Å; I102-F181 HydrophobicContact CD1-CE2 4.08Å; I102-F181 HydrophobicContact CD1-CZ 3.93Å; I102-F181 HydrophobicContact CG1-CE1 4.19Å; I102-F181 HydrophobicContact CG1-CZ 4.17Å; Y177-F181 WeakPolarHBondContact O-CB 3.39Å; Y177-F181 PolarHBondContact O-N 3.19Å; Y178-F181 HydrophobicContact CD2-CD1 4.06Å; Y178-F181 AromaticContact CE2-CD1 3.87Å; Y178-F181 HydrophobicContact CE2-CD1 3.87Å; Y178-F181 HydrophobicContact CE2-CE1 4.15Å; Y178-F181 WeakPolarHBondContact O-CB 3.4Å; Y178-F181 PolarHBondContact O-N 2.95Å; D179-F181 PolarHBondContact O-N 2.99Å; F181-N185 PolarHBondContact O-N 3.32Å; F181-L186 HydrophobicContact CD2-CB 3.99Å; F181-L186 WeakPolarHBondContact CD2-O 3.2Å; F181-L186 WeakPolarHBondContact CE2-O 3.09Å; F181-L186 PolarHBondContact O-N 3.32Å; F181-L255 HydrophobicContact CB-CD1 3.93Å; F181-L255 HydrophobicContact CD2-CD1 4.4Å; F181-L255 HydrophobicContact CD2-CD2 3.63Å; F181-L255 HydrophobicContact CE2-CD2 4.35Å |
| 182 | L | 96.8 | Very high | 94.1 | Very high | 49 Ų | 49 | 63.7 Ų | 63.7 | 26% | 0.257 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.9 | -49.9 | 179.3 | -67.5 | 176.8 | 0 | 0 | 0 | 112.2 | L140 R141 Y178 D179 N184 N185 | L140-L182 HydrophobicContact CB-CD1 3.88Å; R141-L182 HydrophobicContact CB-CD1 4.42Å; Y178-L182 HydrophobicContact CD1-CD1 3.89Å; Y178-L182 HydrophobicContact CD1-CG 4.25Å; Y178-L182 HydrophobicContact CE1-CD1 3.58Å; Y178-L182 HydrophobicContact CE1-CD2 4.27Å; Y178-L182 HydrophobicContact CE1-CG 3.96Å; Y178-L182 WeakPolarHBondContact O-CG 3.49Å; Y178-L182 PolarHBondContact O-N 3.21Å; D179-L182 PolarHBondContact O-N 3.17Å; L182-N184 VanDerWaalsContact C-N 3.29Å; L182-N184 PolarHBondContact O-N 3.5Å; L182-N185 PolarHBondContact O-N 3Å |
| 183 | K | 95.3 | Very high | 93.4 | Very high | 117 Ų | 117 | 63.2 Ų | 63.2 | 51% | 0.509 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62 | -34.5 | -174.5 | -80.4 | 175.8 | 172.6 | 149.8 | 0 | 113.9 | M146 N147 D179 | M146-K183 PolarHBondContact O-NZ 3.27Å; N147-K183 VanDerWaalsContact CB-NZ 3.31Å; D179-K183 WeakPolarHBondContact O-CB 3.37Å; D179-K183 WeakPolarHBondContact O-CG 3.46Å; D179-K183 PolarHBondContact O-N 3.24Å; D179-K183 VanDerWaalsContact OD1-CD 3.29Å; D179-K183 WeakPolarHBondContact OD1-CD 2.92Å; D179-K183 WeakPolarHBondContact OD1-CE 3.29Å; D179-K183 IonicContact OD1-NZ 3.79Å; D179-K183 PolarHBondContact OD1-NZ 3.47Å; D179-K183 IonicContact OD2-NZ 2.81Å; D179-K183 PolarHBondContact OD2-NZ 3.49Å |
| 184 | N | 94.2 | Very high | 93 | Very high | 81 Ų | 81 | 67.3 Ų | 67.3 | 43% | 0.433 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 7 | -176.4 | -61.6 | -81 | 0 | 0 | 0 | 112.6 | L180 L182 L186 | L180-N184 WeakPolarHBondContact O-CB 3.16Å; L180-N184 PolarHBondContact O-N 3.1Å; L180-N184 VanDerWaalsContact O-N 3.15Å; L180-N184 PolarHBondContact O-ND2 3.45Å; L182-N184 VanDerWaalsContact C-N 3.29Å; L182-N184 PolarHBondContact O-N 3.5Å; N184-L186 VanDerWaalsContact C-N 3.26Å; N184-L186 HydrophobicContact CB-CD1 3.71Å; N184-L186 HydrophobicContact CB-CD2 3.98Å; N184-L186 HydrophobicContact CB-CG 3.6Å; N184-L186 PolarHBondContact O-N 3.19Å |
| 185 | N | 91.6 | Very high | 92.5 | Very high | 151 Ų | 151 | 72 Ų | 72 | 81% | 0.807 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 49 | -177.3 | -168.7 | 38.8 | 0 | 0 | 0 | 112.3 | F181 L182 | F181-N185 PolarHBondContact O-N 3.32Å; L182-N185 PolarHBondContact O-N 3Å |
| 186 | L | 92.2 | Very high | 92.1 | Very high | 16 Ų | 16 | 78.5 Ų | 78.5 | 8% | 0.084 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -79 | 152.4 | -170.9 | -63.6 | 165.6 | 0 | 0 | 0 | 111.2 | L180 F181 N184 L255 T257 | L180-L186 WeakPolarHBondContact O-CD1 3.46Å; F181-L186 HydrophobicContact CD2-CB 3.99Å; F181-L186 WeakPolarHBondContact CD2-O 3.2Å; F181-L186 WeakPolarHBondContact CE2-O 3.09Å; F181-L186 PolarHBondContact O-N 3.32Å; N184-L186 VanDerWaalsContact C-N 3.26Å; N184-L186 HydrophobicContact CB-CD1 3.71Å; N184-L186 HydrophobicContact CB-CD2 3.98Å; N184-L186 HydrophobicContact CB-CG 3.6Å; N184-L186 PolarHBondContact O-N 3.19Å; L186-L255 HydrophobicContact CB-CB 4.22Å; L186-L255 HydrophobicContact CB-CD1 4.33Å; L186-L255 HydrophobicContact CB-CD2 3.61Å; L186-L255 HydrophobicContact CB-CG 4.29Å; L186-L255 HydrophobicContact CD1-CB 3.76Å; L186-L255 HydrophobicContact CD1-CD1 3.61Å; L186-L255 HydrophobicContact CD1-CD2 4.39Å; L186-L255 HydrophobicContact CD1-CG 4.13Å; L186-L255 HydrophobicContact CD2-CB 4.34Å; L186-L255 HydrophobicContact CG-CB 4.31Å; L186-L255 HydrophobicContact CG-CD2 4.5Å; L186-T257 HydrophobicContact CD2-CG2 3.48Å; L186-T257 VanDerWaalsContact CD2-CG2 3.48Å |
| 187 | Q | 91 | Very high | 91.6 | Very high | 136 Ų | 136 | 79 Ų | 79 | 64% | 0.636 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 133.4 | 165.2 | -65.7 | -172.3 | 7.5 | 0 | 0 | 109.1 | ||
| 188 | Y | 90.8 | Very high | 91 | Very high | 35 Ų | 35 | 82.2 Ų | 82.2 | 14% | 0.137 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 126.1 | -179.3 | 175 | -87.5 | 0 | 0 | 0 | 110.6 | F98 E99 I102 R190 A253 L255 F268 | F98-Y188 HydrophobicContact CB-CD2 4.28Å; F98-Y188 HydrophobicContact CB-CE2 3.52Å; F98-Y188 AromaticContact CD1-CD2 3.1Å; F98-Y188 HydrophobicContact CD1-CD2 3.1Å; F98-Y188 AromaticContact CD1-CE2 3.29Å; F98-Y188 HydrophobicContact CD1-CE2 3.29Å; F98-Y188 AromaticContact CD1-CG 3.8Å; F98-Y188 HydrophobicContact CD1-CG 3.8Å; F98-Y188 AromaticContact CE1-CD2 3.63Å; F98-Y188 HydrophobicContact CE1-CD2 3.63Å; F98-Y188 HydrophobicContact CE1-CE2 4.22Å; F98-Y188 HydrophobicContact CE1-CG 4.25Å; F98-Y188 AromaticContact CG-CD2 3.96Å; F98-Y188 HydrophobicContact CG-CD2 3.96Å; F98-Y188 AromaticContact CG-CE2 3.67Å; F98-Y188 HydrophobicContact CG-CE2 3.67Å; E99-Y188 HydrophobicContact CG-CD1 3.84Å; E99-Y188 HydrophobicContact CG-CE1 3.34Å; E99-Y188 WeakPolarHBondContact OE1-CE1 3.3Å; E99-Y188 VanDerWaalsContact OE1-CZ 3.27Å; E99-Y188 PolarHBondContact OE1-OH 3.2Å; E99-Y188 PolarHBondContact OE2-OH 2.88Å; E99-Y188 VanDerWaalsContact OE2-OH 3.13Å; I102-Y188 HydrophobicContact CD1-CG 4.14Å; Y188-R190 HydrophobicContact CE1-CG 4.2Å; Y188-A253 HydrophobicContact CD2-CB 4.35Å; Y188-A253 HydrophobicContact CE2-CB 3.25Å; Y188-A253 VanDerWaalsContact CZ-CB 3.43Å; Y188-A253 WeakPolarHBondContact OH-CB 3.41Å; Y188-L255 HydrophobicContact CD2-CD2 4.26Å; Y188-F268 HydrophobicContact CD2-CD2 4.48Å; Y188-F268 HydrophobicContact CD2-CE2 4.18Å; Y188-F268 HydrophobicContact CE2-CD2 4.13Å; Y188-F268 HydrophobicContact CE2-CE2 4.23Å |
| 189 | H | 89.6 | Confident | 90.3 | Very high | 93 Ų | 93 | 93.1 Ų | 93.1 | 43% | 0.431 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 141.3 | 173.1 | -58.3 | -75.3 | 0 | 0 | 0 | 110.1 | I191 V254 | H189-I191 HydrophobicContact CB-CG1 4.37Å; H189-I191 PolarHBondContact O-N 3Å; H189-V254 PolarHBondContact O-N 3.34Å |
| 190 | R | 86.8 | Confident | 89.6 | Confident | 137 Ų | 137 | 96.1 Ų | 96.1 | 52% | 0.517 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 119.1 | 165.7 | -67.8 | -173.3 | -175.8 | -157.6 | -6.9 | 107.9 | Q97 E99 Y188 | Q97-R190 VanDerWaalsContact OE1-NH2 3.12Å; E99-R190 IonicContact OE1-CZ 2.98Å; E99-R190 VanDerWaalsContact OE1-CZ 3.26Å; E99-R190 IonicContact OE1-NE 3.61Å; E99-R190 PolarHBondContact OE1-NE 2.74Å; E99-R190 IonicContact OE1-NH2 2.64Å; E99-R190 PolarHBondContact OE1-NH2 3.2Å; E99-R190 IonicContact OE2-NH2 2.58Å; Y188-R190 HydrophobicContact CE1-CG 4.2Å |
| 191 | I | 86.1 | Confident | 88.7 | Confident | 54 Ų | 54 | 98.7 Ų | 98.7 | 28% | 0.277 | 51% | 0.507 | S | S | . | . | trans | -114.8 | 114.1 | 177.8 | -59.2 | -166.4 | 0 | 0 | 0 | 107.8 | H189 L193 V254 V256 | H189-I191 HydrophobicContact CB-CG1 4.37Å; H189-I191 PolarHBondContact O-N 3Å; I191-L193 HydrophobicContact CG2-CD2 4.08Å; I191-L193 HydrophobicContact CG2-CG 4.46Å; I191-L193 PolarHBondContact O-N 3.39Å; I191-V254 HydrophobicContact CB-CB 3.86Å; I191-V254 HydrophobicContact CB-CG2 3.64Å; I191-V254 HydrophobicContact CD1-CB 3.45Å; I191-V254 VanDerWaalsContact CD1-CB 3.45Å; I191-V254 HydrophobicContact CD1-CG1 3.62Å; I191-V254 HydrophobicContact CD1-CG2 4.07Å; I191-V254 HydrophobicContact CG1-CB 3.68Å; I191-V254 HydrophobicContact CG1-CG1 4.41Å; I191-V254 HydrophobicContact CG1-CG2 4.07Å; I191-V254 HydrophobicContact CG2-CG2 4.24Å; I191-V256 HydrophobicContact CD1-CG2 3.78Å | ||
| 192 | P | 85.5 | Confident | 87.6 | Confident | 105 Ų | 105 | 101 Ų | 101 | 68% | 0.682 | 54% | 0.538 | S | S | * | . | trans | -65.2 | 129.5 | 176.1 | 27.9 | -33.1 | 0 | 0 | 0 | 109.2 | ||||
| 193 | L | 83.8 | Confident | 86 | Confident | 59 Ų | 59 | 103.4 Ų | 103.4 | 31% | 0.309 | 55% | 0.551 | S | S | . | * | trans | -126.1 | 150.8 | 174.6 | -63.1 | 178.3 | 0 | 0 | 0 | 109.6 | I191 I252 V254 L267 | I191-L193 HydrophobicContact CG2-CD2 4.08Å; I191-L193 HydrophobicContact CG2-CG 4.46Å; I191-L193 PolarHBondContact O-N 3.39Å; L193-I252 HydrophobicContact CB-CD1 4.26Å; L193-I252 HydrophobicContact CD1-CB 3.81Å; L193-I252 HydrophobicContact CD1-CD1 4.04Å; L193-I252 HydrophobicContact CD1-CG2 3.55Å; L193-I252 HydrophobicContact CG-CB 4.43Å; L193-V254 HydrophobicContact CD1-CG2 4.24Å; L193-L267 HydrophobicContact CD1-CD2 3.46Å; L193-L267 VanDerWaalsContact CD1-CD2 3.46Å | ||
| 194 | F | 88 | Confident | 84.1 | Confident | 186 Ų | 186 | 106.2 Ų | 106.2 | 82% | 0.816 | 57% | 0.566 | S | S | * | * | trans | -99.5 | 120 | 172.4 | -63.7 | -81.6 | 0 | 0 | 0 | 109.1 | T196 | F194-T196 PolarHBondContact O-N 3.27Å; F194-T196 VanDerWaalsContact O-N 3.15Å | ||
| 195 | L | 87.4 | Confident | 82.1 | Confident | 100 Ų | 100 | 110.9 Ų | 110.9 | 52% | 0.524 | 58% | 0.578 | S | S | . | * | trans | -72.8 | 104.9 | 171 | -178.7 | 66.7 | 0 | 0 | 0 | 108.8 | V198 M250 | L195-V198 HydrophobicContact CD1-CG2 4.09Å; L195-V198 HydrophobicContact CD2-CG2 3.8Å; L195-V198 HydrophobicContact CG-CG2 4.24Å; L195-M250 HydrophobicContact CD2-SD 3.87Å | ||
| 196 | T | 90.3 | Very high | 80.1 | Confident | 137 Ų | 137 | 109.4 Ų | 109.4 | 84% | 0.84 | 57% | 0.57 | S | S | * | * | trans | -88.7 | -30.1 | -176.4 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | F194 | F194-T196 PolarHBondContact O-N 3.27Å; F194-T196 VanDerWaalsContact O-N 3.15Å | ||
| 197 | A | 87.6 | Confident | 77.8 | Confident | 67 Ų | 67 | 115 Ų | 115 | 55% | 0.554 | 61% | 0.607 | S | S | * | * | trans | -158.8 | 148.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 198 | V | 84.1 | Confident | 75.7 | Confident | 95 Ų | 95 | 112.1 Ų | 112.1 | 58% | 0.576 | 61% | 0.614 | S | S | * | * | trans | -116.5 | 126.1 | 164.6 | 179.6 | 0 | 0 | 0 | 0 | 107.3 | L195 V200 | L195-V198 HydrophobicContact CD1-CG2 4.09Å; L195-V198 HydrophobicContact CD2-CG2 3.8Å; L195-V198 HydrophobicContact CG-CG2 4.24Å; V198-V200 HydrophobicContact CG1-CG2 4.2Å | ||
| 199 | R | 85.1 | Confident | 73.4 | Confident | 229 Ų | 229 | 113 Ų | 113 | 86% | 0.864 | 63% | 0.625 | S | S | * | * | trans | -109.2 | 119 | 172.9 | -66.1 | -175.1 | -176 | -176.8 | 1.7 | 108.6 | ||||
| 200 | V | 81.4 | Confident | 70.9 | Confident | 83 Ų | 83 | 113.1 Ų | 113.1 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | trans | -99.2 | 114.8 | 176.4 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | V198 L203 | V198-V200 HydrophobicContact CG1-CG2 4.2Å; V200-L203 HydrophobicContact CG1-CD1 4.43Å; V200-L203 HydrophobicContact CG1-CD2 4.26Å; V200-L203 HydrophobicContact CG1-CG 4.04Å | ||
| 201 | C | 78.7 | Confident | 68.6 | Low | 118 Ų | 118 | 110.9 Ų | 110.9 | 80% | 0.797 | 63% | 0.629 | S | S | * | * | trans | -103.3 | 149.2 | 177.2 | -61.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 202 | G | 73.9 | Confident | 66.1 | Low | 72 Ų | 72 | 115.4 Ų | 115.4 | 74% | 0.742 | 65% | 0.647 | S | S | * | * | trans | 71.4 | 35.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q204 | G202-Q204 VanDerWaalsContact C-N 3.32Å; G202-Q204 PolarHBondContact O-N 3.37Å | ||
| 203 | L | 62.4 | Low | 63.8 | Low | 101 Ų | 101 | 119.9 Ų | 119.9 | 53% | 0.529 | 66% | 0.656 | S | S | . | * | trans | -56 | 96.9 | 168.5 | -80.4 | 158.1 | 0 | 0 | 0 | 109.2 | V200 P216 I218 | V200-L203 HydrophobicContact CG1-CD1 4.43Å; V200-L203 HydrophobicContact CG1-CD2 4.26Å; V200-L203 HydrophobicContact CG1-CG 4.04Å; L203-P216 HydrophobicContact CD1-CG 4.14Å; L203-I218 HydrophobicContact CD1-CD1 4.11Å | ||
| 204 | Q | 55.7 | Low | 61.6 | Low | 176 Ų | 176 | 120.8 Ų | 120.8 | 82% | 0.822 | 67% | 0.668 | S | S | * | * | trans | -71.4 | 135.2 | 169 | -67.9 | -177.5 | -9.1 | 0 | 0 | 107.6 | G202 L206 | G202-Q204 VanDerWaalsContact C-N 3.32Å; G202-Q204 PolarHBondContact O-N 3.37Å; Q204-L206 PolarHBondContact O-N 2.81Å | ||
| 205 | Y | 52.1 | Low | 58.9 | Low | 178 Ų | 178 | 117.5 Ų | 117.5 | 70% | 0.698 | 67% | 0.665 | S | S | * | * | trans | -42.5 | 104.8 | -178.6 | -80.5 | -95.6 | 0 | 0 | 0 | 111.7 | I211 | Y205-I211 HydrophobicContact CE1-CD1 4Å; Y205-I211 HydrophobicContact CE1-CG1 3.96Å | ||
| 206 | L | 50.4 | Low | 56.5 | Low | 121 Ų | 121 | 115.6 Ų | 115.6 | 63% | 0.634 | 66% | 0.659 | S | S | * | * | trans | -73.5 | 129 | 158.2 | -71.3 | 164.2 | 0 | 0 | 0 | 106 | Q204 G208 S209 | Q204-L206 PolarHBondContact O-N 2.81Å; L206-G208 PolarHBondContact O-N 3.27Å; L206-S209 WeakPolarHBondContact CB-OG 2.95Å; L206-S209 PolarHBondContact N-OG 3.09Å; L206-S209 PolarHBondContact O-N 2.88Å; L206-S209 PolarHBondContact O-OG 2.81Å | ||
| 207 | P | 42.4 | Very low | 53.9 | Low | 134 Ų | 134 | 116.5 Ų | 116.5 | 87% | 0.87 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.7 | 116.7 | 172.5 | -22.3 | 31.3 | 0 | 0 | 0 | 109.3 | ||
| 208 | G | 47.6 | Very low | 51.4 | Low | 74 Ų | 74 | 117.4 Ų | 117.4 | 76% | 0.763 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104.9 | 6.3 | -176 | 0 | 0 | 0 | 0 | 0 | 117.1 | L206 | L206-G208 PolarHBondContact O-N 3.27Š|
| 209 | S | 43 | Very low | 48.8 | Very low | 53 Ų | 53 | 117.1 Ų | 117.1 | 37% | 0.371 | 65% | 0.654 | S | S | . | * | trans | -84.5 | 128.5 | 177.2 | -43.4 | 0 | 0 | 0 | 0 | 112.4 | L206 | L206-S209 WeakPolarHBondContact CB-OG 2.95Å; L206-S209 PolarHBondContact N-OG 3.09Å; L206-S209 PolarHBondContact O-N 2.88Å; L206-S209 PolarHBondContact O-OG 2.81Å | ||
| 210 | V | 36.8 | Very low | 46.3 | Very low | 96 Ų | 96 | 112.5 Ų | 112.5 | 58% | 0.582 | 65% | 0.65 | S | S | * | * | trans | -72 | 127.5 | 171.3 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | F212 | V210-F212 PolarHBondContact O-N 3.37Š| ||
| 211 | I | 38.4 | Very low | 43.9 | Very low | 91 Ų | 91 | 114.6 Ų | 114.6 | 47% | 0.467 | 66% | 0.663 | S | S | . | * | trans | -73 | 115.2 | 179.4 | -57.9 | 170.3 | 0 | 0 | 0 | 109 | Y205 F213 | Y205-I211 HydrophobicContact CE1-CD1 4Å; Y205-I211 HydrophobicContact CE1-CG1 3.96Å; I211-F213 HydrophobicContact CG2-CD2 4.11Å; I211-F213 HydrophobicContact CG2-CE2 3.92Å; I211-F213 HydrophobicContact CG2-CZ 4.21Å | ||
| 212 | F | 32.8 | Very low | 41.9 | Very low | 149 Ų | 149 | 111.5 Ų | 111.5 | 65% | 0.654 | 64% | 0.643 | S | S | * | * | trans | -89.2 | 121.6 | 162.1 | -74.9 | -85.2 | 0 | 0 | 0 | 108.7 | V210 S214 | V210-F212 PolarHBondContact O-N 3.37Å; F212-S214 PolarHBondContact O-N 3.02Å | ||
| 213 | F | 37.8 | Very low | 40 | Very low | 199 Ų | 199 | 114.7 Ų | 114.7 | 87% | 0.873 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -76.6 | 26.8 | 177 | -80.2 | -86.3 | 0 | 0 | 0 | 113.6 | I211 | I211-F213 HydrophobicContact CG2-CD2 4.11Å; I211-F213 HydrophobicContact CG2-CE2 3.92Å; I211-F213 HydrophobicContact CG2-CZ 4.21Å |
| 214 | S | 36.7 | Very low | 38.5 | Very low | 78 Ų | 78 | 118.6 Ų | 118.6 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -150 | 147.9 | 175.4 | 18.9 | 0 | 0 | 0 | 0 | 106.7 | F212 P216 | F212-S214 PolarHBondContact O-N 3.02Å; S214-P216 VanDerWaalsContact O-CD 3.28Å; S214-P216 WeakPolarHBondContact O-CD 3.46Å |
| 215 | P | 33 | Very low | 37.4 | Very low | 116 Ų | 116 | 116.3 Ų | 116.3 | 75% | 0.753 | 65% | 0.654 | S | S | * | * | trans | -53 | 117.5 | -179.8 | 22.4 | -31.9 | 0 | 0 | 0 | 107.9 | I217 | P215-I217 PolarHBondContact O-N 2.96Š| ||
| 216 | P | 37.3 | Very low | 36.3 | Very low | 61 Ų | 61 | 112.2 Ų | 112.2 | 40% | 0.396 | 65% | 0.65 | S | S | . | * | trans | -69.7 | 106.8 | -177.9 | 27.1 | -30.9 | 0 | 0 | 0 | 106.4 | L203 S214 I218 | L203-P216 HydrophobicContact CD1-CG 4.14Å; S214-P216 VanDerWaalsContact O-CD 3.28Å; S214-P216 WeakPolarHBondContact O-CD 3.46Å; P216-I218 HydrophobicContact CB-CG1 4.13Å; P216-I218 PolarHBondContact O-N 2.89Å | ||
| 217 | I | 34.8 | Very low | 35.3 | Very low | 155 Ų | 155 | 118.6 Ų | 118.6 | 80% | 0.795 | 67% | 0.665 | S | S | * | * | trans | -69.2 | 92.4 | 157.9 | -60.3 | 175.6 | 0 | 0 | 0 | 104.2 | P215 S219 | P215-I217 PolarHBondContact O-N 2.96Å; I217-S219 PolarHBondContact O-N 3.49Å | ||
| 218 | I | 35.6 | Very low | 34.5 | Very low | 87 Ų | 87 | 117.5 Ų | 117.5 | 45% | 0.446 | 65% | 0.651 | S | S | . | * | trans | -73.7 | 90.5 | 168.9 | -57.3 | 177.5 | 0 | 0 | 0 | 106 | L203 P216 V220 | L203-I218 HydrophobicContact CD1-CD1 4.11Å; P216-I218 HydrophobicContact CB-CG1 4.13Å; P216-I218 PolarHBondContact O-N 2.89Å; I218-V220 HydrophobicContact CG2-CG2 3.93Å; I218-V220 PolarHBondContact O-N 3.15Å | ||
| 219 | S | 28.7 | Very low | 33.4 | Very low | 89 Ų | 89 | 123.3 Ų | 123.3 | 62% | 0.622 | 66% | 0.656 | S | S | * | * | trans | -77.8 | 104.1 | 163.3 | 55.5 | 0 | 0 | 0 | 0 | 107.8 | I217 T221 | I217-S219 PolarHBondContact O-N 3.49Å; S219-T221 PolarHBondContact O-N 3.36Å | ||
| 220 | V | 33.2 | Very low | 32.6 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 79% | 0.794 | 68% | 0.678 | S | S | * | * | trans | -75.9 | 105.6 | 171.7 | -177 | 0 | 0 | 0 | 0 | 107.9 | I218 | I218-V220 HydrophobicContact CG2-CG2 3.93Å; I218-V220 PolarHBondContact O-N 3.15Å | ||
| 221 | T | 31.2 | Very low | 32 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 78% | 0.779 | 68% | 0.684 | S | S | * | * | trans | -95.8 | 116.3 | 168.4 | 50.2 | 0 | 0 | 0 | 0 | 108.2 | S219 | S219-T221 PolarHBondContact O-N 3.36Š| ||
| 222 | S | 36 | Very low | 31.5 | Very low | 54 Ų | 54 | 131.3 Ų | 131.3 | 38% | 0.378 | 70% | 0.7 | S | S | . | * | trans | -81.8 | 125.7 | -169.3 | 51.6 | 0 | 0 | 0 | 0 | 112.5 | L246 | S222-L246 VanDerWaalsContact OG-CB 3.29Å; S222-L246 WeakPolarHBondContact OG-CB 3.04Å; S222-L246 WeakPolarHBondContact OG-CD1 3.29Å | ||
| 223 | T | 34.9 | Very low | 31.1 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 85% | 0.847 | 71% | 0.705 | S | S | * | * | trans | -118.3 | 137.6 | 150.7 | 40.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 224 | F | 30.2 | Very low | 30.8 | Very low | 184 Ų | 184 | 127.8 Ų | 127.8 | 81% | 0.807 | 70% | 0.695 | S | S | * | * | trans | -25.3 | 131.5 | 177.2 | -107.3 | -114.7 | 0 | 0 | 0 | 115.8 | ||||
| 225 | L | 32.1 | Very low | 30.4 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 67% | 0.67 | 71% | 0.705 | S | S | * | * | trans | -166.9 | 115.1 | 141.4 | -101.3 | 158.6 | 0 | 0 | 0 | 109.7 | L228 | L225-L228 HydrophobicContact CD2-CD1 4.47Š| ||
| 226 | P | 29.9 | Very low | 30.2 | Very low | 92 Ų | 92 | 135.7 Ų | 135.7 | 60% | 0.597 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 134.2 | 169.1 | 30.9 | -29.6 | 0 | 0 | 0 | 108.5 | ||
| 227 | W | 27.9 | Very low | 29.7 | Very low | 255 Ų | 255 | 137.3 Ų | 137.3 | 97% | 0.966 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.9 | 11.7 | 171.2 | -55.3 | 97.6 | 0 | 0 | 0 | 121 | K229 | W227-K229 PolarHBondContact O-N 2.94Š|
| 228 | L | 26.2 | Very low | 29.4 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 58% | 0.576 | 72% | 0.717 | S | S | * | * | trans | -89.2 | 115.4 | -176.4 | -123.8 | 84.2 | 0 | 0 | 0 | 115.9 | L225 L230 | L225-L228 HydrophobicContact CD2-CD1 4.47Å; L228-L230 PolarHBondContact O-N 2.74Å | ||
| 229 | K | 24.5 | Very low | 29.1 | Very low | 197 Ų | 197 | 136.9 Ų | 136.9 | 86% | 0.857 | 73% | 0.732 | S | S | * | * | trans | -56.1 | 119.9 | 144.6 | -75 | 172.7 | 174.6 | 175.6 | 0 | 108.3 | W227 V231 | W227-K229 PolarHBondContact O-N 2.94Å; K229-V231 PolarHBondContact O-N 3.01Å | ||
| 230 | L | 27.2 | Very low | 29.2 | Very low | 158 Ų | 158 | 138 Ų | 138 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | trans | -88.5 | 102.1 | 172.1 | -91 | 158.6 | 0 | 0 | 0 | 110.6 | L228 | L228-L230 PolarHBondContact O-N 2.74Š| ||
| 231 | V | 24.4 | Very low | 28.9 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | trans | -121.2 | 142.8 | 152.8 | 175 | 0 | 0 | 0 | 0 | 106.1 | K229 | K229-V231 PolarHBondContact O-N 3.01Š| ||
| 232 | T | 26.5 | Very low | 29.1 | Very low | 130 Ų | 130 | 140.5 Ų | 140.5 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | trans | 85.9 | 114 | 172.1 | 63.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 233 | F | 25.9 | Very low | 28.6 | Very low | 173 Ų | 173 | 146.6 Ų | 146.6 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | -64.9 | 161.1 | 145 | -82.2 | -86.8 | 0 | 0 | 0 | 109.8 | ||||
| 234 | P | 31 | Very low | 28.3 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | cis | -161.4 | 176.5 | 49.3 | 46.6 | -24.3 | 0 | 0 | 0 | 120.5 | ||||
| 235 | Y | 27.4 | Very low | 28.1 | Very low | 193 Ų | 193 | 146.6 Ų | 146.6 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | trans | 61.2 | 142.2 | 152.6 | -69.4 | -66.7 | 0 | 0 | 0 | 123.3 | ||||
| 236 | L | 29.8 | Very low | 27.8 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | trans | 76.2 | 148.8 | 165.5 | -59.4 | 154.1 | 0 | 0 | 0 | 115.9 | ||||
| 237 | C | 27.2 | Very low | 27.5 | Very low | 96 Ų | 96 | 145.3 Ų | 145.3 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | cis | 179.8 | 144.8 | -25.4 | -161.7 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 238 | T | 28.1 | Very low | 27.6 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | trans | 65.8 | 116.5 | 154.4 | 51.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 239 | T | 28.7 | Very low | 27.6 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | 83.1 | 126.1 | 129.9 | 59.5 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 240 | S | 31.8 | Very low | 28 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 78% | 0.783 | 71% | 0.712 | S | S | * | * | trans | 93.4 | 111 | 146 | -45.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 241 | Y | 26.3 | Very low | 28.2 | Very low | 192 Ų | 192 | 130.2 Ų | 130.2 | 75% | 0.753 | 69% | 0.689 | S | S | * | * | trans | -47.3 | 154.3 | 165 | -76.3 | -87.7 | 0 | 0 | 0 | 112.9 | Y243 | Y241-Y243 HydrophobicContact CD1-CD2 4.38Å; Y241-Y243 AromaticContact CD1-CE2 3.78Å; Y241-Y243 HydrophobicContact CD1-CE2 3.78Å; Y241-Y243 AromaticContact CD1-CZ 3.98Å; Y241-Y243 HydrophobicContact CE1-CE2 4.17Å; Y241-Y243 AromaticContact CE1-CZ 3.88Å | ||
| 242 | P | 34.6 | Very low | 28.9 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 77% | 0.773 | 66% | 0.659 | S | S | * | * | cis | -143.2 | 166.6 | 47 | 34.8 | -11.8 | 0 | 0 | 0 | 118.3 | ||||
| 243 | Y | 27.3 | Very low | 29.6 | Very low | 181 Ų | 181 | 119.2 Ų | 119.2 | 71% | 0.71 | 62% | 0.622 | S | S | * | * | trans | -36 | 136.2 | 178.3 | -55.7 | -93 | 0 | 0 | 0 | 117.6 | Y241 | Y241-Y243 HydrophobicContact CD1-CD2 4.38Å; Y241-Y243 AromaticContact CD1-CE2 3.78Å; Y241-Y243 HydrophobicContact CD1-CE2 3.78Å; Y241-Y243 AromaticContact CD1-CZ 3.98Å; Y241-Y243 HydrophobicContact CE1-CE2 4.17Å; Y241-Y243 AromaticContact CE1-CZ 3.88Å | ||
| 244 | A | 26.8 | Very low | 30.1 | Very low | 95 Ų | 95 | 111.1 Ų | 111.1 | 79% | 0.785 | 59% | 0.587 | S | S | * | * | trans | -139.2 | 127.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 245 | Y | 26.3 | Very low | 30.7 | Very low | 227 Ų | 227 | 106.4 Ų | 106.4 | 89% | 0.89 | 56% | 0.556 | S | S | * | * | trans | -79.5 | 132.8 | 179.3 | -75.8 | -99.6 | 0 | 0 | 0 | 110.3 | ||||
| 246 | L | 25.7 | Very low | 31.4 | Very low | 89 Ų | 89 | 99.2 Ų | 99.2 | 47% | 0.466 | 53% | 0.532 | S | S | . | . | trans | -118.9 | 105.1 | 165.8 | -118.8 | 150.2 | 0 | 0 | 0 | 107.9 | S222 Y248 | S222-L246 VanDerWaalsContact OG-CB 3.29Å; S222-L246 WeakPolarHBondContact OG-CB 3.04Å; S222-L246 WeakPolarHBondContact OG-CD1 3.29Å; L246-Y248 HydrophobicContact CD2-CD2 4.2Å; L246-Y248 HydrophobicContact CD2-CE2 3.9Å; L246-Y248 PolarHBondContact O-N 3.06Å | ||
| 247 | S | 25.1 | Very low | 31.8 | Very low | 104 Ų | 104 | 93.3 Ų | 93.3 | 73% | 0.727 | 50% | 0.503 | S | S | * | . | trans | -76 | 95.9 | 170.5 | 54.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 248 | Y | 29.2 | Very low | 32.1 | Very low | 180 Ų | 180 | 93.4 Ų | 93.4 | 71% | 0.706 | 50% | 0.501 | S | S | * | . | trans | -82.3 | 110.9 | 152.1 | -86.7 | -89.4 | 0 | 0 | 0 | 106.9 | L246 M250 | L246-Y248 HydrophobicContact CD2-CD2 4.2Å; L246-Y248 HydrophobicContact CD2-CE2 3.9Å; L246-Y248 PolarHBondContact O-N 3.06Å; Y248-M250 PolarHBondContact O-N 3.28Å | ||
| 249 | V | 27.1 | Very low | 32.9 | Very low | 102 Ų | 102 | 91.8 Ų | 91.8 | 62% | 0.618 | 49% | 0.488 | S | S | * | . | trans | -70.2 | 94.1 | 157.1 | -177.6 | 0 | 0 | 0 | 0 | 104.6 | D251 | V249-D251 PolarHBondContact O-N 3.29Š| ||
| 250 | M | 31.8 | Very low | 33.3 | Very low | 54 Ų | 54 | 98.4 Ų | 98.4 | 27% | 0.266 | 50% | 0.499 | S | S | . | . | trans | -64.8 | 120.4 | 155.4 | -71 | -170.2 | 81.3 | 0 | 0 | 104.9 | L195 Y248 I252 I269 | L195-M250 HydrophobicContact CD2-SD 3.87Å; Y248-M250 PolarHBondContact O-N 3.28Å; M250-I252 HydrophobicContact CB-CD1 4.28Å; M250-I252 HydrophobicContact CB-CG1 3.88Å; M250-I252 PolarHBondContact O-N 3.29Å; M250-I269 HydrophobicContact CE-CG2 3.5Å; M250-I269 VanDerWaalsContact CE-CG2 3.5Å | ||
| 251 | D | 32.1 | Very low | 33.2 | Very low | 67 Ų | 67 | 101.5 Ų | 101.5 | 36% | 0.358 | 50% | 0.498 | S | S | . | . | trans | -68.4 | 79.6 | 167.3 | -81.3 | -33.7 | 0 | 0 | 0 | 107.1 | V249 A253 | V249-D251 PolarHBondContact O-N 3.29Å; D251-A253 PolarHBondContact O-N 3.23Å | ||
| 252 | I | 38.8 | Very low | 33.4 | Very low | 16 Ų | 16 | 97.3 Ų | 97.3 | 8% | 0.082 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 101.8 | 168.5 | -59.8 | 175.6 | 0 | 0 | 0 | 106.2 | L193 M250 V254 L267 F268 I269 | L193-I252 HydrophobicContact CB-CD1 4.26Å; L193-I252 HydrophobicContact CD1-CB 3.81Å; L193-I252 HydrophobicContact CD1-CD1 4.04Å; L193-I252 HydrophobicContact CD1-CG2 3.55Å; L193-I252 HydrophobicContact CG-CB 4.43Å; M250-I252 HydrophobicContact CB-CD1 4.28Å; M250-I252 HydrophobicContact CB-CG1 3.88Å; M250-I252 PolarHBondContact O-N 3.29Å; I252-V254 HydrophobicContact CG2-CG2 4.35Å; I252-L267 HydrophobicContact CG2-CB 3.94Å; I252-L267 HydrophobicContact CG2-CD2 3.98Å; I252-L267 HydrophobicContact CG2-CG 4.5Å; I252-F268 WeakPolarHBondContact CA-O 3.4Å; I252-F268 WeakPolarHBondContact CG2-O 3.39Å; I252-I269 HydrophobicContact CD1-CG1 4.48Å; I252-I269 HydrophobicContact CG1-CG1 4.44Å |
| 253 | A | 39.9 | Very low | 33.3 | Very low | 3 Ų | 3 | 95.7 Ų | 95.7 | 3% | 0.025 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 146.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y188 D251 F268 | Y188-A253 HydrophobicContact CD2-CB 4.35Å; Y188-A253 HydrophobicContact CE2-CB 3.25Å; Y188-A253 VanDerWaalsContact CZ-CB 3.43Å; Y188-A253 WeakPolarHBondContact OH-CB 3.41Å; D251-A253 PolarHBondContact O-N 3.23Å; A253-F268 HydrophobicContact CB-CB 3.98Å; A253-F268 HydrophobicContact CB-CD2 3.69Å; A253-F268 HydrophobicContact CB-CG 4.32Å; A253-F268 PolarHBondContact N-O 2.95Å; A253-F268 WeakPolarHBondContact O-CA 3.28Å; A253-F268 WeakPolarHBondContact O-CB 3.46Å; A253-F268 WeakPolarHBondContact O-CG 3.4Å; A253-F268 PolarHBondContact O-N 2.94Å |
| 254 | V | 38 | Very low | 33.9 | Very low | 2 Ų | 2 | 93.2 Ų | 93.2 | 1% | 0.012 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 129.6 | -175.9 | 176.9 | 0 | 0 | 0 | 0 | 108.9 | H189 I191 L193 I252 V256 I265 L266 L267 | H189-V254 PolarHBondContact O-N 3.34Å; I191-V254 HydrophobicContact CB-CB 3.86Å; I191-V254 HydrophobicContact CB-CG2 3.64Å; I191-V254 HydrophobicContact CD1-CB 3.45Å; I191-V254 VanDerWaalsContact CD1-CB 3.45Å; I191-V254 HydrophobicContact CD1-CG1 3.62Å; I191-V254 HydrophobicContact CD1-CG2 4.07Å; I191-V254 HydrophobicContact CG1-CB 3.68Å; I191-V254 HydrophobicContact CG1-CG1 4.41Å; I191-V254 HydrophobicContact CG1-CG2 4.07Å; I191-V254 HydrophobicContact CG2-CG2 4.24Å; L193-V254 HydrophobicContact CD1-CG2 4.24Å; I252-V254 HydrophobicContact CG2-CG2 4.35Å; V254-V256 HydrophobicContact CG1-CG2 3.89Å; V254-I265 HydrophobicContact CG1-CB 4.3Å; V254-I265 HydrophobicContact CG1-CG2 3.48Å; V254-I265 VanDerWaalsContact CG1-CG2 3.48Å; V254-L266 VanDerWaalsContact CA-O 3.24Å; V254-L266 WeakPolarHBondContact CA-O 3.24Å; V254-L267 HydrophobicContact CG2-CD2 3.49Å; V254-L267 VanDerWaalsContact CG2-CD2 3.49Å |
| 255 | L | 43.3 | Very low | 34.6 | Very low | 2 Ų | 2 | 94 Ų | 94 | 1% | 0.01 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 124 | 163.5 | -68.6 | 167.9 | 0 | 0 | 0 | 109.2 | F98 F181 L186 Y188 I265 L266 F268 | F98-L255 HydrophobicContact CZ-CD1 4.46Å; F181-L255 HydrophobicContact CB-CD1 3.93Å; F181-L255 HydrophobicContact CD2-CD1 4.4Å; F181-L255 HydrophobicContact CD2-CD2 3.63Å; F181-L255 HydrophobicContact CE2-CD2 4.35Å; L186-L255 HydrophobicContact CB-CB 4.22Å; L186-L255 HydrophobicContact CB-CD1 4.33Å; L186-L255 HydrophobicContact CB-CD2 3.61Å; L186-L255 HydrophobicContact CB-CG 4.29Å; L186-L255 HydrophobicContact CD1-CB 3.76Å; L186-L255 HydrophobicContact CD1-CD1 3.61Å; L186-L255 HydrophobicContact CD1-CD2 4.39Å; L186-L255 HydrophobicContact CD1-CG 4.13Å; L186-L255 HydrophobicContact CD2-CB 4.34Å; L186-L255 HydrophobicContact CG-CB 4.31Å; L186-L255 HydrophobicContact CG-CD2 4.5Å; Y188-L255 HydrophobicContact CD2-CD2 4.26Å; L255-I265 WeakPolarHBondContact O-CA 3.47Å; L255-L266 HydrophobicContact CB-CB 4.21Å; L255-L266 HydrophobicContact CD1-CD2 4.29Å; L255-L266 PolarHBondContact N-O 3.14Å; L255-L266 PolarHBondContact O-N 2.94Å; L255-F268 HydrophobicContact CD1-CE1 4.08Å; L255-F268 HydrophobicContact CD1-CE2 3.47Å; L255-F268 VanDerWaalsContact CD1-CE2 3.47Å; L255-F268 HydrophobicContact CD1-CZ 3.1Å; L255-F268 HydrophobicContact CD2-CE2 4.33Å; L255-F268 HydrophobicContact CG-CE2 3.49Å; L255-F268 VanDerWaalsContact CG-CE2 3.49Å; L255-F268 HydrophobicContact CG-CZ 3.67Å |
| 256 | V | 41 | Very low | 35.8 | Very low | 42 Ų | 42 | 86 Ų | 86 | 26% | 0.255 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.3 | 173.8 | -174.6 | 0 | 0 | 0 | 0 | 107.3 | I191 V254 T258 T263 Y264 | I191-V256 HydrophobicContact CD1-CG2 3.78Å; V254-V256 HydrophobicContact CG1-CG2 3.89Å; V256-T258 HydrophobicContact CG1-CG2 4.39Å; V256-T263 HydrophobicContact CG1-CG2 3.6Å; V256-Y264 WeakPolarHBondContact CA-O 3.41Å |
| 257 | T | 38.4 | Very low | 36.6 | Very low | 43 Ų | 43 | 85.7 Ų | 85.7 | 26% | 0.264 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 140.6 | 157 | 172.9 | 0 | 0 | 0 | 0 | 109.1 | L186 T263 Y264 | L186-T257 HydrophobicContact CD2-CG2 3.48Å; L186-T257 VanDerWaalsContact CD2-CG2 3.48Å; T257-T263 CarbonylContact O-C 3.57Å; T257-T263 WeakPolarHBondContact O-CA 3.45Å; T257-Y264 HydrophobicContact CG2-CD2 4.04Å; T257-Y264 HydrophobicContact CG2-CG 4.36Å; T257-Y264 PolarHBondContact N-O 3.15Å; T257-Y264 VanDerWaalsContact N-O 3.14Å; T257-Y264 PolarHBondContact O-N 2.9Å |
| 258 | T | 34.5 | Very low | 37.8 | Very low | 98 Ų | 98 | 80.7 Ų | 80.7 | 60% | 0.601 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 120.9 | 172.5 | 52.7 | 0 | 0 | 0 | 0 | 108.2 | V256 H262 T263 | V256-T258 HydrophobicContact CG1-CG2 4.39Å; T258-H262 WeakPolarHBondContact CA-O 3.4Å; T258-T263 HydrophobicContact CG2-CG2 4.11Å |
| 259 | D | 44.5 | Very low | 38.8 | Very low | 77 Ų | 77 | 76.1 Ų | 76.1 | 41% | 0.412 | 38% | 0.376 | S | S | . | . | trans | -90.3 | 176.6 | 155.3 | 79.9 | 33 | 0 | 0 | 0 | 109.5 | K261 H262 | D259-K261 PolarHBondContact O-N 3.32Å; D259-K261 WeakPolarHBondContact OD1-CA 3.47Å; D259-K261 PolarHBondContact OD1-N 3.02Å; D259-H262 PolarHBondContact N-O 2.97Å; D259-H262 PolarHBondContact OD1-N 2.95Å; D259-H262 IonicContact OD1-ND1 3.53Å | ||
| 260 | R | 36.1 | Very low | 39.9 | Very low | 261 Ų | 261 | 76.2 Ų | 76.2 | 99% | 0.985 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -60.3 | -9.6 | -178.1 | -70.9 | -168.3 | -174.4 | -175.4 | 2.8 | 114.8 | ||
| 261 | K | 31.1 | Very low | 40.3 | Very low | 177 Ų | 177 | 77.4 Ų | 77.4 | 77% | 0.77 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -130.8 | -21.6 | -175.6 | -67.8 | -173.4 | 176.6 | -177.2 | 0 | 114.4 | D259 | D259-K261 PolarHBondContact O-N 3.32Å; D259-K261 WeakPolarHBondContact OD1-CA 3.47Å; D259-K261 PolarHBondContact OD1-N 3.02Å |
| 262 | H | 29.2 | Very low | 40.7 | Very low | 104 Ų | 104 | 77.9 Ų | 77.9 | 48% | 0.481 | 38% | 0.376 | S | S | . | . | trans | -141.8 | 145.3 | -173.5 | -55.3 | 91.9 | 0 | 0 | 0 | 113.3 | T258 D259 Y264 | T258-H262 WeakPolarHBondContact CA-O 3.4Å; D259-H262 PolarHBondContact N-O 2.97Å; D259-H262 PolarHBondContact OD1-N 2.95Å; D259-H262 IonicContact OD1-ND1 3.53Å; H262-Y264 HydrophobicContact CB-CD2 4.47Å; H262-Y264 HydrophobicContact CB-CE2 3.8Å | ||
| 263 | T | 33 | Very low | 40.8 | Very low | 85 Ų | 85 | 81.3 Ų | 81.3 | 52% | 0.521 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 122.2 | 168.3 | -55 | 0 | 0 | 0 | 0 | 108.7 | V256 T257 T258 I265 | V256-T263 HydrophobicContact CG1-CG2 3.6Å; T257-T263 CarbonylContact O-C 3.57Å; T257-T263 WeakPolarHBondContact O-CA 3.45Å; T258-T263 HydrophobicContact CG2-CG2 4.11Å; T263-I265 HydrophobicContact CG2-CG1 4.33Å |
| 264 | Y | 40.6 | Very low | 40.9 | Very low | 129 Ų | 129 | 85.9 Ų | 85.9 | 51% | 0.506 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 131.7 | 174.1 | -57.6 | -90.5 | 0 | 0 | 0 | 109.2 | V256 T257 H262 | V256-Y264 WeakPolarHBondContact CA-O 3.41Å; T257-Y264 HydrophobicContact CG2-CD2 4.04Å; T257-Y264 HydrophobicContact CG2-CG 4.36Å; T257-Y264 PolarHBondContact N-O 3.15Å; T257-Y264 VanDerWaalsContact N-O 3.14Å; T257-Y264 PolarHBondContact O-N 2.9Å; H262-Y264 HydrophobicContact CB-CD2 4.47Å; H262-Y264 HydrophobicContact CB-CE2 3.8Å |
| 265 | I | 41.2 | Very low | 41 | Very low | 112 Ų | 112 | 91.2 Ų | 91.2 | 57% | 0.574 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 112.1 | -176.5 | -66.7 | 178.4 | 0 | 0 | 0 | 107.2 | V254 L255 T263 L267 | V254-I265 HydrophobicContact CG1-CB 4.3Å; V254-I265 HydrophobicContact CG1-CG2 3.48Å; V254-I265 VanDerWaalsContact CG1-CG2 3.48Å; L255-I265 WeakPolarHBondContact O-CA 3.47Å; T263-I265 HydrophobicContact CG2-CG1 4.33Å; I265-L267 HydrophobicContact CG2-CD2 3.79Å; I265-L267 HydrophobicContact CG2-CG 4.35Å |
| 266 | L | 50.2 | Low | 40.9 | Very low | 58 Ų | 58 | 97.1 Ų | 97.1 | 30% | 0.304 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 120 | 171.5 | -166.9 | 77.6 | 0 | 0 | 0 | 109.4 | Y177 L180 V254 L255 F268 | Y177-L266 HydrophobicContact CD1-CD2 4.45Å; L180-L266 HydrophobicContact CB-CD2 4.23Å; L180-L266 HydrophobicContact CD1-CD1 4.33Å; L180-L266 HydrophobicContact CD1-CD2 3.56Å; V254-L266 VanDerWaalsContact CA-O 3.24Å; V254-L266 WeakPolarHBondContact CA-O 3.24Å; L255-L266 HydrophobicContact CB-CB 4.21Å; L255-L266 HydrophobicContact CD1-CD2 4.29Å; L255-L266 PolarHBondContact N-O 3.14Å; L255-L266 PolarHBondContact O-N 2.94Å; L266-F268 HydrophobicContact CD2-CD1 4.32Å; L266-F268 HydrophobicContact CD2-CE1 3.52Å; L266-F268 HydrophobicContact CD2-CZ 4.12Å; L266-F268 HydrophobicContact CG-CE1 4.22Å |
| 267 | L | 42.7 | Very low | 40.9 | Very low | 83 Ų | 83 | 101.1 Ų | 101.1 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 129.1 | -179.3 | -59.2 | 179.1 | 0 | 0 | 0 | 111.5 | Y177 L193 I252 V254 I265 | Y177-L267 PolarHBondContact OH-O 2.82Å; L193-L267 HydrophobicContact CD1-CD2 3.46Å; L193-L267 VanDerWaalsContact CD1-CD2 3.46Å; I252-L267 HydrophobicContact CG2-CB 3.94Å; I252-L267 HydrophobicContact CG2-CD2 3.98Å; I252-L267 HydrophobicContact CG2-CG 4.5Å; V254-L267 HydrophobicContact CG2-CD2 3.49Å; V254-L267 VanDerWaalsContact CG2-CD2 3.49Å; I265-L267 HydrophobicContact CG2-CD2 3.79Å; I265-L267 HydrophobicContact CG2-CG 4.35Å |
| 268 | F | 51 | Low | 41.1 | Very low | 0 Ų | 0 | 105.5 Ų | 105.5 | 0% | 0 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 107.9 | 176.3 | -61.6 | -36 | 0 | 0 | 0 | 110.9 | F98 Y177 Y188 I252 A253 L255 L266 Q270 | F98-F268 HydrophobicContact CD1-CE2 4.13Å; F98-F268 HydrophobicContact CD2-CD2 4.48Å; F98-F268 AromaticContact CD2-CE2 3.97Å; F98-F268 HydrophobicContact CD2-CE2 3.97Å; F98-F268 HydrophobicContact CD2-CZ 4.2Å; F98-F268 HydrophobicContact CE1-CE2 4.02Å; F98-F268 HydrophobicContact CE1-CZ 4.43Å; F98-F268 AromaticContact CE2-CE2 3.93Å; F98-F268 HydrophobicContact CE2-CE2 3.93Å; F98-F268 AromaticContact CE2-CZ 3.8Å; F98-F268 HydrophobicContact CE2-CZ 3.8Å; F98-F268 HydrophobicContact CG-CD2 4.46Å; F98-F268 HydrophobicContact CG-CE2 4.06Å; F98-F268 AromaticContact CZ-CE2 3.93Å; F98-F268 HydrophobicContact CZ-CE2 3.93Å; F98-F268 AromaticContact CZ-CZ 3.9Å; F98-F268 HydrophobicContact CZ-CZ 3.9Å; Y177-F268 VanDerWaalsContact CB-CZ 3.5Å; Y177-F268 AromaticContact CD1-CD1 3.51Å; Y177-F268 HydrophobicContact CD1-CD1 3.51Å; Y177-F268 AromaticContact CD1-CE1 3.21Å; Y177-F268 HydrophobicContact CD1-CE1 3.21Å; Y177-F268 HydrophobicContact CD1-CZ 4.32Å; Y177-F268 HydrophobicContact CD2-CB 4.18Å; Y177-F268 AromaticContact CD2-CD1 3.12Å; Y177-F268 HydrophobicContact CD2-CD1 3.12Å; Y177-F268 AromaticContact CD2-CE1 3.37Å; Y177-F268 HydrophobicContact CD2-CE1 3.37Å; Y177-F268 AromaticContact CD2-CG 3.8Å; Y177-F268 HydrophobicContact CD2-CG 3.8Å; Y177-F268 HydrophobicContact CD2-CZ 4.19Å; Y177-F268 AromaticContact CE1-CD1 3.5Å; Y177-F268 HydrophobicContact CE1-CD1 3.5Å; Y177-F268 VanDerWaalsContact CE1-CD1 3.5Å; Y177-F268 AromaticContact CE1-CE1 3.67Å; Y177-F268 HydrophobicContact CE1-CE1 3.67Å; Y177-F268 HydrophobicContact CE2-CB 3.78Å; Y177-F268 AromaticContact CE2-CD1 3.16Å; Y177-F268 HydrophobicContact CE2-CD1 3.16Å; Y177-F268 AromaticContact CE2-CE1 3.86Å; Y177-F268 HydrophobicContact CE2-CE1 3.86Å; Y177-F268 AromaticContact CE2-CG 3.8Å; Y177-F268 HydrophobicContact CE2-CG 3.8Å; Y177-F268 AromaticContact CG-CD1 3.28Å; Y177-F268 HydrophobicContact CG-CD1 3.28Å; Y177-F268 AromaticContact CG-CE1 2.97Å; Y177-F268 HydrophobicContact CG-CE1 2.97Å; Y177-F268 HydrophobicContact CG-CG 4.29Å; Y177-F268 AromaticContact CG-CZ 3.81Å; Y177-F268 HydrophobicContact CG-CZ 3.81Å; Y177-F268 AromaticContact CZ-CD1 3.3Å; Y177-F268 AromaticContact CZ-CE1 3.96Å; Y188-F268 HydrophobicContact CD2-CD2 4.48Å; Y188-F268 HydrophobicContact CD2-CE2 4.18Å; Y188-F268 HydrophobicContact CE2-CD2 4.13Å; Y188-F268 HydrophobicContact CE2-CE2 4.23Å; I252-F268 WeakPolarHBondContact CA-O 3.4Å; I252-F268 WeakPolarHBondContact CG2-O 3.39Å; A253-F268 HydrophobicContact CB-CB 3.98Å; A253-F268 HydrophobicContact CB-CD2 3.69Å; A253-F268 HydrophobicContact CB-CG 4.32Å; A253-F268 PolarHBondContact N-O 2.95Å; A253-F268 WeakPolarHBondContact O-CA 3.28Å; A253-F268 WeakPolarHBondContact O-CB 3.46Å; A253-F268 WeakPolarHBondContact O-CG 3.4Å; A253-F268 PolarHBondContact O-N 2.94Å; L255-F268 HydrophobicContact CD1-CE1 4.08Å; L255-F268 HydrophobicContact CD1-CE2 3.47Å; L255-F268 VanDerWaalsContact CD1-CE2 3.47Å; L255-F268 HydrophobicContact CD1-CZ 3.1Å; L255-F268 HydrophobicContact CD2-CE2 4.33Å; L255-F268 HydrophobicContact CG-CE2 3.49Å; L255-F268 VanDerWaalsContact CG-CE2 3.49Å; L255-F268 HydrophobicContact CG-CZ 3.67Å; L266-F268 HydrophobicContact CD2-CD1 4.32Å; L266-F268 HydrophobicContact CD2-CE1 3.52Å; L266-F268 HydrophobicContact CD2-CZ 4.12Å; L266-F268 HydrophobicContact CG-CE1 4.22Å; F268-Q270 PolarHBondContact O-N 2.7Å |
| 269 | I | 50.7 | Low | 41.6 | Very low | 83 Ų | 83 | 106.2 Ų | 106.2 | 43% | 0.426 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 112.3 | 177.3 | -64.2 | 169.6 | 0 | 0 | 0 | 108.9 | Y174 M250 I252 | Y174-I269 PolarHBondContact OH-O 2.81Å; M250-I269 HydrophobicContact CE-CG2 3.5Å; M250-I269 VanDerWaalsContact CE-CG2 3.5Å; I252-I269 HydrophobicContact CD1-CG1 4.48Å; I252-I269 HydrophobicContact CG1-CG1 4.44Å |
| 270 | Q | 49.1 | Very low | 41.3 | Very low | 105 Ų | 105 | 108.8 Ų | 108.8 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | trans | -76.2 | 0 | 163.7 | -81 | -177.6 | 3.9 | 0 | 0 | 110.9 | Y174 F268 | Y174-Q270 HydrophobicContact CE1-CG 4.49Å; Y174-Q270 WeakPolarHBondContact OH-CA 3.35Å; Y174-Q270 WeakPolarHBondContact OH-CG 3.45Å; F268-Q270 PolarHBondContact O-N 2.7Å |
Retrieved 270 of 270 residues in 58.4 ms
(Link to these results)