| 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 | 51.9 | Low | 72.4 | Confident | 200 Ų | 200 | 91 Ų | 91 | 99% | 0.985 | 47% | 0.466 | S | S | * | . | 0 | 135.2 | 0 | -66.2 | -177.2 | -164.2 | 0 | 0 | 107.5 | |||||
| 2 | A | 61.7 | Low | 73.3 | Confident | 42 Ų | 42 | 92.3 Ų | 92.3 | 35% | 0.347 | 47% | 0.466 | S | S | . | . | trans | -68.6 | 141.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V5 F306 L308 | A2-V5 HydrophobicContact CB-CG2 3.71Å; A2-F306 HydrophobicContact CB-CB 4.11Å; A2-F306 HydrophobicContact CB-CD1 4.49Å; A2-F306 HydrophobicContact CB-CD2 4.47Å; A2-F306 HydrophobicContact CB-CG 4.13Å; A2-L308 WeakPolarHBondContact CA-O 3.41Å | ||
| 3 | L | 59.8 | Low | 74 | Confident | 65 Ų | 65 | 86.4 Ų | 86.4 | 34% | 0.34 | 43% | 0.434 | S | S | . | . | B | Isolated β-bridge | trans | -96.2 | 135.8 | -176.5 | -106.9 | 159.1 | 0 | 0 | 0 | 110.8 | L307 L308 T311 V312 | L3-L307 PolarHBondContact O-N 3Å; L3-L308 HydrophobicContact CB-CB 4.39Å; L3-L308 HydrophobicContact CD1-CD1 4.47Å; L3-L308 PolarHBondContact N-O 3.04Å; L3-T311 HydrophobicContact CD1-CG2 4.35Å; L3-V312 HydrophobicContact CD1-CG2 4.02Å |
| 4 | L | 69.9 | Low | 74.8 | Confident | 110 Ų | 110 | 84.6 Ų | 84.6 | 58% | 0.576 | 43% | 0.43 | S | S | * | . | S | Bend | trans | 54.4 | 52.3 | 179.3 | -64.8 | 167.2 | 0 | 0 | 0 | 113.6 | Y285 L307 | L4-Y285 VanDerWaalsContact CB-OH 3.27Å; L4-Y285 WeakPolarHBondContact CB-OH 3.38Å; L4-Y285 PolarHBondContact O-OH 2.93Å; L4-Y285 VanDerWaalsContact O-OH 3.08Å; L4-L307 HydrophobicContact CD1-CD2 4.06Å |
| 5 | V | 74.9 | Confident | 75.7 | Confident | 66 Ų | 66 | 88.7 Ų | 88.7 | 40% | 0.4 | 44% | 0.444 | S | S | . | . | trans | -68.8 | 128.6 | 175.7 | -174.2 | 0 | 0 | 0 | 0 | 110.1 | A2 E304 G305 F306 | A2-V5 HydrophobicContact CB-CG2 3.71Å; V5-E304 HydrophobicContact CG1-CB 4Å; V5-E304 HydrophobicContact CG1-CG 4.33Å; V5-G305 CarbonylContact C-O 3.49Å; V5-G305 WeakPolarHBondContact CA-O 3.37Å; V5-F306 HydrophobicContact CG2-CB 4.21Å | ||
| 6 | V | 80.1 | Confident | 76.4 | Confident | 66 Ų | 66 | 85.6 Ų | 85.6 | 40% | 0.4 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 132.3 | 175.2 | -179.4 | 0 | 0 | 0 | 0 | 108.5 | F8 Y285 G305 | V6-F8 HydrophobicContact CB-CD2 4.49Å; V6-F8 HydrophobicContact CB-CE2 3.75Å; V6-F8 HydrophobicContact CB-CZ 4Å; V6-F8 HydrophobicContact CG1-CD2 4.46Å; V6-F8 HydrophobicContact CG1-CE1 4.31Å; V6-F8 HydrophobicContact CG1-CE2 3.92Å; V6-F8 HydrophobicContact CG1-CZ 3.83Å; V6-F8 WeakPolarHBondContact O-CD2 3.44Å; V6-F8 WeakPolarHBondContact O-CE2 3.25Å; V6-Y285 HydrophobicContact CG2-CE1 4.42Å; V6-G305 PolarHBondContact N-O 2.93Å; V6-G305 PolarHBondContact O-N 3.06Å |
| 7 | K | 80.1 | Confident | 77 | Confident | 125 Ų | 125 | 80.9 Ų | 80.9 | 54% | 0.543 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 132.4 | 174.5 | -67.4 | -167.7 | 172.2 | -163.2 | 0 | 111 | E304 | K7-E304 HydrophobicContact CG-CG 4.43Å |
| 8 | F | 77.2 | Confident | 77.7 | Confident | 20 Ų | 20 | 81.9 Ų | 81.9 | 9% | 0.088 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 128.2 | -177.7 | -70.4 | -82.5 | 0 | 0 | 0 | 111.9 | V6 K12 R13 L16 Y285 S303 | V6-F8 HydrophobicContact CB-CD2 4.49Å; V6-F8 HydrophobicContact CB-CE2 3.75Å; V6-F8 HydrophobicContact CB-CZ 4Å; V6-F8 HydrophobicContact CG1-CD2 4.46Å; V6-F8 HydrophobicContact CG1-CE1 4.31Å; V6-F8 HydrophobicContact CG1-CE2 3.92Å; V6-F8 HydrophobicContact CG1-CZ 3.83Å; V6-F8 WeakPolarHBondContact O-CD2 3.44Å; V6-F8 WeakPolarHBondContact O-CE2 3.25Å; F8-K12 HydrophobicContact CD1-CB 4.02Å; F8-R13 HydrophobicContact CB-CG 3.65Å; F8-R13 HydrophobicContact CD1-CG 4.48Å; F8-R13 HydrophobicContact CG-CG 4.3Å; F8-R13 PolarHBondContact O-NH2 2.73Å; F8-L16 HydrophobicContact CE1-CD2 3.85Å; F8-L16 HydrophobicContact CZ-CD2 4.01Å; F8-Y285 HydrophobicContact CE2-CD1 4.18Å; F8-Y285 HydrophobicContact CZ-CD1 4.23Å; F8-S303 PolarHBondContact N-O 2.75Å; F8-S303 PolarHBondContact O-N 3.08Å |
| 9 | D | 80.3 | Confident | 78.5 | Confident | 63 Ų | 63 | 81.1 Ų | 81.1 | 34% | 0.337 | 41% | 0.409 | S | S | . | . | trans | -90.9 | 161.4 | 164.9 | -47.3 | -45.4 | 0 | 0 | 0 | 109.6 | K11 K12 R13 | D9-K11 VanDerWaalsContact C-N 3.32Å; D9-K11 PolarHBondContact O-N 2.9Å; D9-K12 HydrophobicContact CB-CD 4.41Å; D9-K12 HydrophobicContact CB-CG 4.5Å; D9-K12 WeakPolarHBondContact O-CA 3.37Å; D9-K12 WeakPolarHBondContact O-CB 3.18Å; D9-K12 PolarHBondContact O-N 2.62Å; D9-K12 VanDerWaalsContact OD2-CE 3.25Å; D9-K12 WeakPolarHBondContact OD2-CE 3.35Å; D9-K12 IonicContact OD2-NZ 2.73Å; D9-K12 PolarHBondContact OD2-NZ 2.9Å; D9-R13 PolarHBondContact O-N 2.71Å | ||
| 10 | L | 77.3 | Confident | 79.1 | Confident | 56 Ų | 56 | 77.1 Ų | 77.1 | 29% | 0.293 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -49.2 | -48.6 | 179.3 | -178.9 | 63.3 | 0 | 0 | 0 | 113 | K12 R13 V14 M299 E300 | L10-K12 VanDerWaalsContact C-N 3.3Å; L10-K12 PolarHBondContact O-N 2.87Å; L10-R13 PolarHBondContact O-N 3.33Å; L10-V14 HydrophobicContact CD1-CG2 4.49Å; L10-V14 WeakPolarHBondContact O-CG2 3.27Å; L10-V14 PolarHBondContact O-N 2.86Å; L10-M299 HydrophobicContact CD1-CB 4.11Å; L10-E300 HydrophobicContact CD2-CG 4.02Å |
| 11 | K | 82.9 | Confident | 79.8 | Confident | 188 Ų | 188 | 76.9 Ų | 76.9 | 82% | 0.817 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -59.9 | -37.5 | 177.6 | -69.2 | -178.5 | -178.4 | 175.1 | 0 | 112.7 | D9 K15 | D9-K11 VanDerWaalsContact C-N 3.32Å; D9-K11 PolarHBondContact O-N 2.9Å; K11-K15 WeakPolarHBondContact O-CB 3.46Å; K11-K15 PolarHBondContact O-N 2.86Å; K11-K15 VanDerWaalsContact O-N 3.17Å |
| 12 | K | 83.8 | Confident | 81.8 | Confident | 106 Ų | 106 | 73.4 Ų | 73.4 | 46% | 0.461 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -71.7 | -38.4 | 178.9 | -67.8 | 174.6 | -179.2 | 149.8 | 0 | 111.2 | F8 D9 L10 K15 L16 | F8-K12 HydrophobicContact CD1-CB 4.02Å; D9-K12 HydrophobicContact CB-CD 4.41Å; D9-K12 HydrophobicContact CB-CG 4.5Å; D9-K12 WeakPolarHBondContact O-CA 3.37Å; D9-K12 WeakPolarHBondContact O-CB 3.18Å; D9-K12 PolarHBondContact O-N 2.62Å; D9-K12 VanDerWaalsContact OD2-CE 3.25Å; D9-K12 WeakPolarHBondContact OD2-CE 3.35Å; D9-K12 IonicContact OD2-NZ 2.73Å; D9-K12 PolarHBondContact OD2-NZ 2.9Å; L10-K12 VanDerWaalsContact C-N 3.3Å; L10-K12 PolarHBondContact O-N 2.87Å; K12-K15 PolarHBondContact O-N 2.87Å; K12-L16 WeakPolarHBondContact O-CB 3.23Å; K12-L16 PolarHBondContact O-N 3.34Å |
| 13 | R | 82.4 | Confident | 83.3 | Confident | 16 Ų | 16 | 74 Ų | 74 | 6% | 0.06 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 176.1 | -62.6 | -172.6 | -157.6 | 127.2 | 9 | 112.2 | F8 D9 L10 K15 L16 A17 M299 S301 E302 S303 | F8-R13 HydrophobicContact CB-CG 3.65Å; F8-R13 HydrophobicContact CD1-CG 4.48Å; F8-R13 HydrophobicContact CG-CG 4.3Å; F8-R13 PolarHBondContact O-NH2 2.73Å; D9-R13 PolarHBondContact O-N 2.71Å; L10-R13 PolarHBondContact O-N 3.33Å; R13-K15 VanDerWaalsContact C-N 3.32Å; R13-K15 PolarHBondContact O-N 2.97Å; R13-L16 WeakPolarHBondContact O-CB 3.17Å; R13-L16 PolarHBondContact O-N 3.21Å; R13-A17 WeakPolarHBondContact O-CB 3.38Å; R13-A17 PolarHBondContact O-N 3.41Å; R13-M299 PolarHBondContact NH1-O 3.49Å; R13-S301 PolarHBondContact NH1-O 2.89Å; R13-S301 PolarHBondContact NH2-O 3.15Å; R13-E302 VanDerWaalsContact NH2-C 3.34Å; R13-S303 PolarHBondContact NE-OG 3.45Å; R13-S303 PolarHBondContact NH2-OG 3.03Å |
| 14 | V | 84.7 | Confident | 85 | Confident | 62 Ų | 62 | 71 Ų | 71 | 38% | 0.376 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 177.4 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | L10 L16 A17 Q18 L86 | L10-V14 HydrophobicContact CD1-CG2 4.49Å; L10-V14 WeakPolarHBondContact O-CG2 3.27Å; L10-V14 PolarHBondContact O-N 2.86Å; V14-L16 PolarHBondContact O-N 3.01Å; V14-A17 PolarHBondContact O-N 3.25Å; V14-Q18 WeakPolarHBondContact O-CB 3.41Å; V14-Q18 PolarHBondContact O-N 3.25Å; V14-L86 HydrophobicContact CG1-CD2 4.24Å |
| 15 | K | 88.3 | Confident | 86.2 | Confident | 146 Ų | 146 | 72 Ų | 72 | 64% | 0.635 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.2 | -40.3 | 176.9 | -170.2 | 175.3 | -178.2 | 178.7 | 0 | 112.5 | K11 K12 R13 T19 | K11-K15 WeakPolarHBondContact O-CB 3.46Å; K11-K15 PolarHBondContact O-N 2.86Å; K11-K15 VanDerWaalsContact O-N 3.17Å; K12-K15 PolarHBondContact O-N 2.87Å; R13-K15 VanDerWaalsContact C-N 3.32Å; R13-K15 PolarHBondContact O-N 2.97Å; K15-T19 WeakPolarHBondContact O-CB 3.46Å; K15-T19 PolarHBondContact O-N 3.31Å; K15-T19 PolarHBondContact O-OG1 3.26Å |
| 16 | L | 87.2 | Confident | 87.2 | Confident | 38 Ų | 38 | 75 Ų | 75 | 20% | 0.199 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.3 | -52.8 | 174.7 | 176.1 | 68.8 | 0 | 0 | 0 | 110.6 | F8 K12 R13 V14 Q18 T19 V20 V286 | F8-L16 HydrophobicContact CE1-CD2 3.85Å; F8-L16 HydrophobicContact CZ-CD2 4.01Å; K12-L16 WeakPolarHBondContact O-CB 3.23Å; K12-L16 PolarHBondContact O-N 3.34Å; R13-L16 WeakPolarHBondContact O-CB 3.17Å; R13-L16 PolarHBondContact O-N 3.21Å; V14-L16 PolarHBondContact O-N 3.01Å; L16-Q18 PolarHBondContact O-N 2.62Å; L16-T19 PolarHBondContact O-N 3.14Å; L16-T19 VanDerWaalsContact O-N 3.12Å; L16-V20 HydrophobicContact CD1-CG2 4.13Å; L16-V20 HydrophobicContact CG-CG2 4.42Å; L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.3Å; L16-V20 PolarHBondContact O-N 2.84Å; L16-V286 HydrophobicContact CD2-CG2 3.97Å; L16-V286 HydrophobicContact CG-CG2 4.04Å |
| 17 | A | 87.1 | Confident | 88 | Confident | 6 Ų | 6 | 71.8 Ų | 71.8 | 5% | 0.05 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R13 V14 T19 V20 W21 C82 L86 V286 | R13-A17 WeakPolarHBondContact O-CB 3.38Å; R13-A17 PolarHBondContact O-N 3.41Å; V14-A17 PolarHBondContact O-N 3.25Å; A17-T19 PolarHBondContact O-N 3.33Å; A17-V20 PolarHBondContact O-N 3.17Å; A17-W21 VanDerWaalsContact O-CB 3.24Å; A17-W21 WeakPolarHBondContact O-CB 3.25Å; A17-W21 PolarHBondContact O-N 3.2Å; A17-C82 PolarHBondContact O-SG 2.73Å; A17-L86 HydrophobicContact CB-CD2 3.55Å; A17-L86 HydrophobicContact CB-CG 4.15Å; A17-V286 HydrophobicContact CB-CG2 4.47Å |
| 18 | Q | 90 | Very high | 88.8 | Confident | 100 Ų | 100 | 66.7 Ų | 66.7 | 47% | 0.467 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 171.9 | -97.2 | -177.1 | -25.8 | 0 | 0 | 112.4 | V14 L16 W21 F22 | V14-Q18 WeakPolarHBondContact O-CB 3.41Å; V14-Q18 PolarHBondContact O-N 3.25Å; L16-Q18 PolarHBondContact O-N 2.62Å; Q18-W21 WeakPolarHBondContact O-CB 3.28Å; Q18-W21 PolarHBondContact O-N 3.38Å; Q18-F22 WeakPolarHBondContact O-CD2 3.32Å; Q18-F22 PolarHBondContact O-N 2.98Å |
| 19 | T | 91.2 | Very high | 89.8 | Confident | 66 Ų | 66 | 71 Ų | 71 | 41% | 0.405 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.1 | -46.4 | -179.7 | -54.8 | 0 | 0 | 0 | 0 | 110.9 | K15 L16 A17 W21 F22 M23 | K15-T19 WeakPolarHBondContact O-CB 3.46Å; K15-T19 PolarHBondContact O-N 3.31Å; K15-T19 PolarHBondContact O-OG1 3.26Å; L16-T19 PolarHBondContact O-N 3.14Å; L16-T19 VanDerWaalsContact O-N 3.12Å; A17-T19 PolarHBondContact O-N 3.33Å; T19-W21 VanDerWaalsContact C-N 3.33Å; T19-W21 PolarHBondContact O-N 3.44Å; T19-F22 PolarHBondContact O-N 3.43Å; T19-M23 HydrophobicContact CG2-CE 4.27Å; T19-M23 WeakPolarHBondContact O-CG 3.36Å; T19-M23 PolarHBondContact O-N 3.08Å |
| 20 | V | 92.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 177.6 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | L16 A17 M23 Y24 V286 | L16-V20 HydrophobicContact CD1-CG2 4.13Å; L16-V20 HydrophobicContact CG-CG2 4.42Å; L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.3Å; L16-V20 PolarHBondContact O-N 2.84Å; A17-V20 PolarHBondContact O-N 3.17Å; V20-M23 HydrophobicContact CB-CE 4.24Å; V20-M23 HydrophobicContact CG2-CE 3.78Å; V20-M23 PolarHBondContact O-N 3.03Å; V20-Y24 HydrophobicContact CG1-CD2 3.71Å; V20-Y24 HydrophobicContact CG1-CE2 3.54Å; V20-Y24 VanDerWaalsContact O-CD2 3.29Å; V20-Y24 WeakPolarHBondContact O-CD2 3.45Å; V20-Y24 PolarHBondContact O-N 3.11Å; V20-V286 HydrophobicContact CG2-CG2 4.42Å |
| 21 | W | 93.1 | Very high | 91.5 | Very high | 72 Ų | 72 | 66 Ų | 66 | 27% | 0.273 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 174 | 178.7 | 85 | 0 | 0 | 0 | 112.6 | A17 Q18 T19 M23 Y24 W25 G79 C82 | A17-W21 VanDerWaalsContact O-CB 3.24Å; A17-W21 WeakPolarHBondContact O-CB 3.25Å; A17-W21 PolarHBondContact O-N 3.2Å; Q18-W21 WeakPolarHBondContact O-CB 3.28Å; Q18-W21 PolarHBondContact O-N 3.38Å; T19-W21 VanDerWaalsContact C-N 3.33Å; T19-W21 PolarHBondContact O-N 3.44Å; W21-M23 VanDerWaalsContact C-N 3.33Å; W21-M23 PolarHBondContact O-N 3.08Å; W21-Y24 PolarHBondContact O-N 3.45Å; W21-W25 AromaticContact CD2-CD1 3.77Å; W21-W25 AromaticContact CD2-NE1 3.95Å; W21-W25 AromaticContact CE2-CD1 3.46Å; W21-W25 VanDerWaalsContact CE2-CD1 3.46Å; W21-W25 AromaticContact CE2-NE1 3.14Å; W21-W25 AromaticContact CH2-CD1 3.99Å; W21-W25 AromaticContact CH2-NE1 3.93Å; W21-W25 AromaticContact CZ2-CD1 3.59Å; W21-W25 AromaticContact CZ2-NE1 3.14Å; W21-W25 AromaticContact NE1-CD1 3.84Å; W21-W25 AromaticContact NE1-NE1 3.29Å; W21-W25 PolarHBondContact O-N 3.35Å; W21-G79 VanDerWaalsContact CD1-O 3.27Å; W21-C82 HydrophobicContact CB-CB 4.48Å |
| 22 | F | 93.4 | Very high | 92.2 | Very high | 128 Ų | 128 | 61.2 Ų | 61.2 | 56% | 0.561 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.1 | -40.6 | 174.4 | -78.3 | -67.7 | 0 | 0 | 0 | 112 | Q18 T19 Y24 W25 F26 | Q18-F22 WeakPolarHBondContact O-CD2 3.32Å; Q18-F22 PolarHBondContact O-N 2.98Å; T19-F22 PolarHBondContact O-N 3.43Å; F22-Y24 VanDerWaalsContact C-N 3.34Å; F22-Y24 PolarHBondContact O-N 2.87Å; F22-W25 PolarHBondContact O-N 2.94Å; F22-F26 PolarHBondContact O-N 3.47Å |
| 23 | M | 94.4 | Very high | 92.8 | Very high | 55 Ų | 55 | 60 Ų | 60 | 27% | 0.271 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64 | -37.8 | 176.8 | -68.7 | -172 | -64.5 | 0 | 0 | 112.2 | T19 V20 W21 F26 A27 V279 | T19-M23 HydrophobicContact CG2-CE 4.27Å; T19-M23 WeakPolarHBondContact O-CG 3.36Å; T19-M23 PolarHBondContact O-N 3.08Å; V20-M23 HydrophobicContact CB-CE 4.24Å; V20-M23 HydrophobicContact CG2-CE 3.78Å; V20-M23 PolarHBondContact O-N 3.03Å; W21-M23 VanDerWaalsContact C-N 3.33Å; W21-M23 PolarHBondContact O-N 3.08Å; M23-F26 PolarHBondContact O-N 2.9Å; M23-A27 WeakPolarHBondContact O-CB 3.47Å; M23-A27 PolarHBondContact O-N 3.23Å; M23-V279 HydrophobicContact CB-CG1 3.63Å |
| 24 | Y | 95.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 174.2 | -90.5 | -64.5 | 0 | 0 | 0 | 112.4 | V20 W21 F22 F26 A27 V28 N75 C82 V279 L283 | V20-Y24 HydrophobicContact CG1-CD2 3.71Å; V20-Y24 HydrophobicContact CG1-CE2 3.54Å; V20-Y24 VanDerWaalsContact O-CD2 3.29Å; V20-Y24 WeakPolarHBondContact O-CD2 3.45Å; V20-Y24 PolarHBondContact O-N 3.11Å; W21-Y24 PolarHBondContact O-N 3.45Å; F22-Y24 VanDerWaalsContact C-N 3.34Å; F22-Y24 PolarHBondContact O-N 2.87Å; Y24-F26 VanDerWaalsContact C-N 3.33Å; Y24-F26 PolarHBondContact O-N 3.34Å; Y24-A27 WeakPolarHBondContact O-CB 3.35Å; Y24-A27 PolarHBondContact O-N 2.9Å; Y24-V28 WeakPolarHBondContact O-CG2 3.43Å; Y24-V28 PolarHBondContact O-N 3.35Å; Y24-N75 HydrophobicContact CD1-CB 4.11Å; Y24-N75 WeakPolarHBondContact CD1-OD1 3.43Å; Y24-C82 HydrophobicContact CD2-CB 4.31Å; Y24-V279 HydrophobicContact CD1-CB 4.2Å; Y24-V279 HydrophobicContact CD1-CG1 4.47Å; Y24-V279 HydrophobicContact CD1-CG2 4.31Å; Y24-V279 HydrophobicContact CD2-CB 4.5Å; Y24-V279 HydrophobicContact CE1-CB 3.86Å; Y24-V279 HydrophobicContact CE1-CG2 3.81Å; Y24-V279 HydrophobicContact CE2-CB 4.19Å; Y24-V279 HydrophobicContact CG-CB 4.49Å; Y24-V279 PolarHBondContact OH-O 2.99Å; Y24-L283 HydrophobicContact CE2-CB 4.4Å; Y24-L283 WeakPolarHBondContact OH-CB 3.46Å; Y24-L283 WeakPolarHBondContact OH-CD2 3.44Å |
| 25 | W | 94.6 | Very high | 94.2 | Very high | 130 Ų | 130 | 58.3 Ų | 58.3 | 49% | 0.492 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 175 | -80.1 | 109.9 | 0 | 0 | 0 | 112.6 | W21 F22 A27 V28 L29 | W21-W25 AromaticContact CD2-CD1 3.77Å; W21-W25 AromaticContact CD2-NE1 3.95Å; W21-W25 AromaticContact CE2-CD1 3.46Å; W21-W25 VanDerWaalsContact CE2-CD1 3.46Å; W21-W25 AromaticContact CE2-NE1 3.14Å; W21-W25 AromaticContact CH2-CD1 3.99Å; W21-W25 AromaticContact CH2-NE1 3.93Å; W21-W25 AromaticContact CZ2-CD1 3.59Å; W21-W25 AromaticContact CZ2-NE1 3.14Å; W21-W25 AromaticContact NE1-CD1 3.84Å; W21-W25 AromaticContact NE1-NE1 3.29Å; W21-W25 PolarHBondContact O-N 3.35Å; F22-W25 PolarHBondContact O-N 2.94Å; W25-A27 VanDerWaalsContact C-N 3.32Å; W25-V28 WeakPolarHBondContact O-CB 3.27Å; W25-V28 PolarHBondContact O-N 2.76Å; W25-L29 PolarHBondContact O-N 2.9Å |
| 26 | F | 96.2 | Very high | 94.6 | Very high | 129 Ų | 129 | 53.8 Ų | 53.8 | 57% | 0.566 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.4 | -39.1 | 172.3 | -174.2 | -109.9 | 0 | 0 | 0 | 111.7 | F22 M23 Y24 V28 L29 A30 L275 | F22-F26 PolarHBondContact O-N 3.47Å; M23-F26 PolarHBondContact O-N 2.9Å; Y24-F26 VanDerWaalsContact C-N 3.33Å; Y24-F26 PolarHBondContact O-N 3.34Å; F26-V28 VanDerWaalsContact C-N 3.35Å; F26-V28 PolarHBondContact O-N 2.92Å; F26-L29 WeakPolarHBondContact O-CB 3.17Å; F26-L29 PolarHBondContact O-N 2.88Å; F26-A30 PolarHBondContact O-N 2.98Å; F26-L275 HydrophobicContact CD1-CD1 4.02Å; F26-L275 HydrophobicContact CD1-CD2 3.48Å; F26-L275 VanDerWaalsContact CD1-CD2 3.48Å; F26-L275 HydrophobicContact CD1-CG 4.42Å; F26-L275 HydrophobicContact CE1-CD2 3.82Å |
| 27 | A | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.9 | -33.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M23 Y24 W25 A30 G31 N75 L275 | M23-A27 WeakPolarHBondContact O-CB 3.47Å; M23-A27 PolarHBondContact O-N 3.23Å; Y24-A27 WeakPolarHBondContact O-CB 3.35Å; Y24-A27 PolarHBondContact O-N 2.9Å; W25-A27 VanDerWaalsContact C-N 3.32Å; A27-A30 WeakPolarHBondContact O-CB 3.43Å; A27-A30 PolarHBondContact O-N 3.2Å; A27-G31 PolarHBondContact O-N 3.03Å; A27-N75 HydrophobicContact CB-CB 4.16Å; A27-N75 VanDerWaalsContact CB-CG 3.43Å; A27-N75 WeakPolarHBondContact CB-OD1 3.49Å; A27-L275 HydrophobicContact CB-CD2 3.84Å; A27-L275 HydrophobicContact CB-CG 4.15Å |
| 28 | V | 97.4 | Very high | 95.5 | Very high | 18 Ų | 18 | 53.4 Ų | 53.4 | 11% | 0.109 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 169.6 | 174 | 0 | 0 | 0 | 0 | 110.9 | Y24 W25 F26 A30 G31 I32 N75 A76 | Y24-V28 WeakPolarHBondContact O-CG2 3.43Å; Y24-V28 PolarHBondContact O-N 3.35Å; W25-V28 WeakPolarHBondContact O-CB 3.27Å; W25-V28 PolarHBondContact O-N 2.76Å; F26-V28 VanDerWaalsContact C-N 3.35Å; F26-V28 PolarHBondContact O-N 2.92Å; V28-A30 VanDerWaalsContact C-N 3.28Å; V28-A30 PolarHBondContact O-N 3.06Å; V28-G31 PolarHBondContact O-N 3.28Å; V28-G31 VanDerWaalsContact O-N 3.16Å; V28-I32 HydrophobicContact CG1-CD1 4.24Å; V28-I32 WeakPolarHBondContact O-CG1 3.33Å; V28-I32 PolarHBondContact O-N 3.46Å; V28-N75 HydrophobicContact CG2-CB 3.54Å; V28-A76 HydrophobicContact CG2-CB 4.26Å |
| 29 | L | 97.2 | Very high | 95.8 | Very high | 110 Ų | 110 | 52.3 Ų | 52.3 | 58% | 0.576 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -61.6 | -39.4 | 177 | -62.3 | 177.3 | 0 | 0 | 0 | 111.6 | W25 F26 G31 I32 L33 | W25-L29 PolarHBondContact O-N 2.9Å; F26-L29 WeakPolarHBondContact O-CB 3.17Å; F26-L29 PolarHBondContact O-N 2.88Å; L29-G31 VanDerWaalsContact C-N 3.35Å; L29-I32 PolarHBondContact O-N 3.33Å; L29-L33 PolarHBondContact O-N 3.17Å |
| 30 | A | 96.8 | Very high | 96.1 | Very high | 14 Ų | 14 | 54 Ų | 54 | 12% | 0.116 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64 | -38.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | F26 A27 V28 L33 V34 V272 L275 | F26-A30 PolarHBondContact O-N 2.98Å; A27-A30 WeakPolarHBondContact O-CB 3.43Å; A27-A30 PolarHBondContact O-N 3.2Å; V28-A30 VanDerWaalsContact C-N 3.28Å; V28-A30 PolarHBondContact O-N 3.06Å; A30-L33 WeakPolarHBondContact O-CB 3.35Å; A30-L33 PolarHBondContact O-N 3.19Å; A30-V34 WeakPolarHBondContact O-CG2 3.37Å; A30-V34 PolarHBondContact O-N 2.98Å; A30-V272 HydrophobicContact CB-CG1 4.45Å; A30-V272 HydrophobicContact CB-CG2 4.11Å; A30-L275 HydrophobicContact CB-CD2 4.04Å |
| 31 | G | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A27 V28 L29 L33 V34 L35 C72 | A27-G31 PolarHBondContact O-N 3.03Å; V28-G31 PolarHBondContact O-N 3.28Å; V28-G31 VanDerWaalsContact O-N 3.16Å; L29-G31 VanDerWaalsContact C-N 3.35Å; G31-L33 VanDerWaalsContact C-N 3.29Å; G31-L33 PolarHBondContact O-N 3.33Å; G31-V34 PolarHBondContact O-N 2.8Å; G31-L35 PolarHBondContact O-N 2.97Å; G31-C72 VanDerWaalsContact C-SG 3.51Å |
| 32 | I | 97.9 | Very high | 96.2 | Very high | 87 Ų | 87 | 53.1 Ų | 53.1 | 45% | 0.446 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 174.4 | -65.6 | 169.2 | 0 | 0 | 0 | 110.3 | V28 L29 L35 S36 C72 | V28-I32 HydrophobicContact CG1-CD1 4.24Å; V28-I32 WeakPolarHBondContact O-CG1 3.33Å; V28-I32 PolarHBondContact O-N 3.46Å; L29-I32 PolarHBondContact O-N 3.33Å; I32-L35 PolarHBondContact O-N 2.94Å; I32-S36 WeakPolarHBondContact O-CB 3.27Å; I32-S36 PolarHBondContact O-N 3.02Å; I32-S36 PolarHBondContact O-OG 3.32Å; I32-C72 PolarHBondContact N-SG 3.18Å; I32-C72 VanDerWaalsContact N-SG 3.44Å |
| 33 | L | 97 | Very high | 96.2 | Very high | 82 Ų | 82 | 51.8 Ų | 51.8 | 43% | 0.429 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60 | -48.9 | 175.4 | -178.7 | 66.9 | 0 | 0 | 0 | 111.1 | L29 A30 G31 L35 S36 L37 | L29-L33 PolarHBondContact O-N 3.17Å; A30-L33 WeakPolarHBondContact O-CB 3.35Å; A30-L33 PolarHBondContact O-N 3.19Å; G31-L33 VanDerWaalsContact C-N 3.29Å; G31-L33 PolarHBondContact O-N 3.33Å; L33-L35 VanDerWaalsContact C-N 3.32Å; L33-L35 PolarHBondContact O-N 3.44Å; L33-S36 PolarHBondContact O-N 3.46Å; L33-S36 PolarHBondContact O-OG 3.14Å; L33-L37 HydrophobicContact CD1-CD1 4.45Å; L33-L37 HydrophobicContact CG-CD1 4.14Å; L33-L37 WeakPolarHBondContact O-CG 3.23Å; L33-L37 PolarHBondContact O-N 3.16Å |
| 34 | V | 97.1 | Very high | 96 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.1 | -43.4 | 177.1 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | A30 G31 S36 L37 G38 L64 V269 V272 | A30-V34 WeakPolarHBondContact O-CG2 3.37Å; A30-V34 PolarHBondContact O-N 2.98Å; G31-V34 PolarHBondContact O-N 2.8Å; V34-S36 PolarHBondContact O-N 3.27Å; V34-L37 PolarHBondContact O-N 3.24Å; V34-G38 PolarHBondContact O-N 2.91Å; V34-L64 HydrophobicContact CG1-CD2 4.47Å; V34-V269 HydrophobicContact CG1-CG2 4.33Å; V34-V269 HydrophobicContact CG2-CG2 4.35Å; V34-V272 HydrophobicContact CG2-CB 4.43Å; V34-V272 HydrophobicContact CG2-CG1 4.37Å; V34-V272 HydrophobicContact CG2-CG2 3.78Å |
| 35 | L | 97.9 | Very high | 95.7 | Very high | 36 Ų | 36 | 49.6 Ų | 49.6 | 19% | 0.188 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.6 | -46.3 | 176 | 179.6 | 143.9 | 0 | 0 | 0 | 111.8 | G31 I32 L33 L37 G38 L39 L69 | G31-L35 PolarHBondContact O-N 2.97Å; I32-L35 PolarHBondContact O-N 2.94Å; L33-L35 VanDerWaalsContact C-N 3.32Å; L33-L35 PolarHBondContact O-N 3.44Å; L35-L37 VanDerWaalsContact C-N 3.34Å; L35-L37 PolarHBondContact O-N 3.1Å; L35-G38 PolarHBondContact O-N 3.36Å; L35-L39 HydrophobicContact CD2-CD1 3.73Å; L35-L39 HydrophobicContact CD2-CG 4.49Å; L35-L39 WeakPolarHBondContact O-CG 3.31Å; L35-L39 PolarHBondContact O-N 2.9Å; L35-L69 HydrophobicContact CD1-CB 4.44Å; L35-L69 HydrophobicContact CD1-CD2 3.29Å; L35-L69 HydrophobicContact CD1-CG 3.51Å |
| 36 | S | 97.6 | Very high | 95.4 | Very high | 52 Ų | 52 | 50.6 Ų | 50.6 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.6 | -39.6 | 179.3 | 73.7 | 0 | 0 | 0 | 0 | 112.1 | I32 L33 V34 L39 F40 | I32-S36 WeakPolarHBondContact O-CB 3.27Å; I32-S36 PolarHBondContact O-N 3.02Å; I32-S36 PolarHBondContact O-OG 3.32Å; L33-S36 PolarHBondContact O-N 3.46Å; L33-S36 PolarHBondContact O-OG 3.14Å; V34-S36 PolarHBondContact O-N 3.27Å; S36-L39 PolarHBondContact O-N 3.49Å; S36-F40 WeakPolarHBondContact O-CB 3.35Å; S36-F40 PolarHBondContact O-N 3.44Å |
| 37 | L | 96.6 | Very high | 94.9 | Very high | 36 Ų | 36 | 51 Ų | 51 | 19% | 0.188 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67 | -39.8 | 175.5 | -70.3 | 171 | 0 | 0 | 0 | 111.8 | L33 V34 L35 F40 F41 I265 L268 | L33-L37 HydrophobicContact CD1-CD1 4.45Å; L33-L37 HydrophobicContact CG-CD1 4.14Å; L33-L37 WeakPolarHBondContact O-CG 3.23Å; L33-L37 PolarHBondContact O-N 3.16Å; V34-L37 PolarHBondContact O-N 3.24Å; L35-L37 VanDerWaalsContact C-N 3.34Å; L35-L37 PolarHBondContact O-N 3.1Å; L37-F40 PolarHBondContact O-N 2.79Å; L37-F41 VanDerWaalsContact O-CB 3.26Å; L37-F41 WeakPolarHBondContact O-CB 3.43Å; L37-F41 PolarHBondContact O-N 2.87Å; L37-I265 HydrophobicContact CB-CD1 4.37Å; L37-I265 HydrophobicContact CB-CG1 4.26Å; L37-L268 HydrophobicContact CD1-CD1 3.63Å |
| 38 | G | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V34 L35 K42 | V34-G38 PolarHBondContact O-N 2.91Å; L35-G38 PolarHBondContact O-N 3.36Å; G38-K42 WeakPolarHBondContact O-CB 3.45Å; G38-K42 PolarHBondContact O-N 2.87Å |
| 39 | L | 96.9 | Very high | 93.4 | Very high | 76 Ų | 76 | 52.8 Ų | 52.8 | 40% | 0.398 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.8 | -47.8 | 174.6 | -71.7 | 173.7 | 0 | 0 | 0 | 112 | L35 S36 F41 K42 I43 I65 | L35-L39 HydrophobicContact CD2-CD1 3.73Å; L35-L39 HydrophobicContact CD2-CG 4.49Å; L35-L39 WeakPolarHBondContact O-CG 3.31Å; L35-L39 PolarHBondContact O-N 2.9Å; S36-L39 PolarHBondContact O-N 3.49Å; L39-F41 VanDerWaalsContact C-N 3.32Å; L39-F41 PolarHBondContact O-N 2.89Å; L39-K42 PolarHBondContact O-N 2.86Å; L39-I43 VanDerWaalsContact O-CG1 3.28Å; L39-I43 WeakPolarHBondContact O-CG1 3.43Å; L39-I43 PolarHBondContact O-N 3.26Å; L39-I65 HydrophobicContact CD2-CD1 3.79Å; L39-I65 HydrophobicContact CD2-CG1 4.16Å; L39-I65 HydrophobicContact CG-CD1 4.37Å; L39-I65 HydrophobicContact CG-CG1 4.26Å |
| 40 | F | 96.1 | Very high | 92.5 | Very high | 101 Ų | 101 | 51.5 Ų | 51.5 | 44% | 0.443 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -55.2 | -49.7 | 176.2 | 169.1 | -100.4 | 0 | 0 | 0 | 110.9 | S36 L37 K42 I43 E44 | S36-F40 WeakPolarHBondContact O-CB 3.35Å; S36-F40 PolarHBondContact O-N 3.44Å; L37-F40 PolarHBondContact O-N 2.79Å; F40-K42 VanDerWaalsContact C-N 3.33Å; F40-K42 PolarHBondContact O-N 2.92Å; F40-I43 PolarHBondContact O-N 3.41Å; F40-E44 WeakPolarHBondContact O-CB 3.27Å; F40-E44 PolarHBondContact O-N 2.96Å |
| 41 | F | 94.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.6 | -39.3 | -179.4 | -174.1 | -133.8 | 0 | 0 | 0 | 112.2 | L37 L39 E44 L45 L60 P61 L64 Y258 I261 M262 I265 | L37-F41 VanDerWaalsContact O-CB 3.26Å; L37-F41 WeakPolarHBondContact O-CB 3.43Å; L37-F41 PolarHBondContact O-N 2.87Å; L39-F41 VanDerWaalsContact C-N 3.32Å; L39-F41 PolarHBondContact O-N 2.89Å; F41-E44 PolarHBondContact O-N 3.34Å; F41-L45 HydrophobicContact CD1-CD1 4.41Å; F41-L45 HydrophobicContact CD2-CD1 4.48Å; F41-L45 HydrophobicContact CD2-CG 4.43Å; F41-L45 HydrophobicContact CE1-CD1 3.93Å; F41-L45 HydrophobicContact CE2-CD1 4.03Å; F41-L45 HydrophobicContact CE2-CD2 4.35Å; F41-L45 HydrophobicContact CE2-CG 4.03Å; F41-L45 HydrophobicContact CZ-CD1 3.7Å; F41-L45 HydrophobicContact CZ-CD2 4.47Å; F41-L45 HydrophobicContact CZ-CG 4.19Å; F41-L45 PolarHBondContact O-N 2.71Å; F41-L60 HydrophobicContact CE1-CD2 4.06Å; F41-L60 HydrophobicContact CE1-CG 4.34Å; F41-P61 HydrophobicContact CD1-CB 4.05Å; F41-P61 HydrophobicContact CD1-CG 3.57Å; F41-P61 HydrophobicContact CE1-CG 3.76Å; F41-P61 HydrophobicContact CG-CG 4.42Å; F41-L64 HydrophobicContact CD1-CD1 4.33Å; F41-Y258 HydrophobicContact CE2-CD1 4.13Å; F41-I261 HydrophobicContact CD2-CG2 3.65Å; F41-I261 HydrophobicContact CE2-CG2 4.11Å; F41-I261 HydrophobicContact CG-CG2 4.37Å; F41-M262 HydrophobicContact CE1-CE 4.31Å; F41-M262 HydrophobicContact CE1-CG 4.13Å; F41-M262 HydrophobicContact CE2-CG 4.23Å; F41-M262 HydrophobicContact CZ-CE 3.56Å; F41-M262 HydrophobicContact CZ-CG 3.61Å; F41-M262 HydrophobicContact CZ-SD 4.4Å; F41-I265 HydrophobicContact CB-CD1 3.93Å; F41-I265 HydrophobicContact CD1-CD1 4.49Å; F41-I265 HydrophobicContact CG-CD1 4.13Å |
| 42 | K | 93.6 | Very high | 90.4 | Very high | 54 Ų | 54 | 51.6 Ų | 51.6 | 24% | 0.235 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 174.4 | -172.8 | 168.2 | -178.4 | 167.4 | 0 | 112.5 | G38 L39 F40 E44 R46 P61 N62 I65 | G38-K42 WeakPolarHBondContact O-CB 3.45Å; G38-K42 PolarHBondContact O-N 2.87Å; L39-K42 PolarHBondContact O-N 2.86Å; F40-K42 VanDerWaalsContact C-N 3.33Å; F40-K42 PolarHBondContact O-N 2.92Å; K42-E44 VanDerWaalsContact C-N 3.35Å; K42-R46 WeakPolarHBondContact O-CB 3.43Å; K42-R46 PolarHBondContact O-N 3.41Å; K42-P61 HydrophobicContact CB-CB 3.74Å; K42-P61 HydrophobicContact CG-CB 4.32Å; K42-N62 WeakPolarHBondContact CE-OD1 3.42Å; K42-N62 PolarHBondContact NZ-OD1 3.38Å; K42-I65 HydrophobicContact CB-CD1 4.45Å; K42-I65 HydrophobicContact CD-CD1 3.78Å |
| 43 | I | 92.8 | Very high | 88.8 | Confident | 101 Ų | 101 | 53.7 Ų | 53.7 | 52% | 0.518 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 177.3 | -68.4 | 164.1 | 0 | 0 | 0 | 110 | L39 F40 L45 R46 K47 | L39-I43 VanDerWaalsContact O-CG1 3.28Å; L39-I43 WeakPolarHBondContact O-CG1 3.43Å; L39-I43 PolarHBondContact O-N 3.26Å; F40-I43 PolarHBondContact O-N 3.41Å; I43-L45 VanDerWaalsContact C-N 3.35Å; I43-L45 PolarHBondContact O-N 3.45Å; I43-R46 PolarHBondContact O-N 3.12Å; I43-R46 VanDerWaalsContact O-N 3.14Å; I43-K47 PolarHBondContact O-N 2.88Å; I43-K47 VanDerWaalsContact O-N 3.1Å |
| 44 | E | 91.1 | Very high | 87.5 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 3% | 0.033 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.8 | -35.4 | -177.7 | -166.7 | 59.8 | -161 | 0 | 0 | 112.9 | F40 F41 K42 K47 Y257 Y258 I261 | F40-E44 WeakPolarHBondContact O-CB 3.27Å; F40-E44 PolarHBondContact O-N 2.96Å; F41-E44 PolarHBondContact O-N 3.34Å; K42-E44 VanDerWaalsContact C-N 3.35Å; E44-K47 WeakPolarHBondContact OE2-CE 3.39Å; E44-K47 IonicContact OE2-NZ 3.03Å; E44-K47 PolarHBondContact OE2-NZ 3.23Å; E44-Y257 HydrophobicContact CG-CE1 4.11Å; E44-Y257 PolarHBondContact OE1-OH 3.47Å; E44-Y258 HydrophobicContact CG-CE1 3.88Å; E44-Y258 PolarHBondContact O-OH 3.41Å; E44-Y258 VanDerWaalsContact O-OH 3.08Å; E44-I261 HydrophobicContact CG-CD1 4.34Å |
| 45 | L | 88.6 | Confident | 86.1 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.3 | -40 | 170.7 | -72.4 | 172.3 | 0 | 0 | 0 | 112 | F41 I43 K47 R48 S49 M52 S57 P61 F126 Y258 | F41-L45 HydrophobicContact CD1-CD1 4.41Å; F41-L45 HydrophobicContact CD2-CD1 4.48Å; F41-L45 HydrophobicContact CD2-CG 4.43Å; F41-L45 HydrophobicContact CE1-CD1 3.93Å; F41-L45 HydrophobicContact CE2-CD1 4.03Å; F41-L45 HydrophobicContact CE2-CD2 4.35Å; F41-L45 HydrophobicContact CE2-CG 4.03Å; F41-L45 HydrophobicContact CZ-CD1 3.7Å; F41-L45 HydrophobicContact CZ-CD2 4.47Å; F41-L45 HydrophobicContact CZ-CG 4.19Å; F41-L45 PolarHBondContact O-N 2.71Å; I43-L45 VanDerWaalsContact C-N 3.35Å; I43-L45 PolarHBondContact O-N 3.45Å; L45-K47 VanDerWaalsContact C-N 3.27Å; L45-K47 PolarHBondContact O-N 3.5Å; L45-R48 CarbonylContact O-C 3.58Å; L45-R48 PolarHBondContact O-N 3.43Å; L45-R48 VanDerWaalsContact O-N 3.15Å; L45-S49 PolarHBondContact O-N 2.96Å; L45-M52 HydrophobicContact CD2-CE 3.84Å; L45-M52 HydrophobicContact CD2-SD 4.41Å; L45-S57 WeakPolarHBondContact CD1-O 3.41Å; L45-P61 HydrophobicContact CD1-CG 3.65Å; L45-F126 HydrophobicContact CD2-CE2 4.18Å; L45-F126 HydrophobicContact CD2-CZ 4.41Å; L45-Y258 HydrophobicContact CD2-CD1 3.84Å; L45-Y258 HydrophobicContact CD2-CE1 3.71Å; L45-Y258 HydrophobicContact CD2-CG 4.37Å; L45-Y258 HydrophobicContact CG-CE1 4.33Å |
| 46 | R | 88.3 | Confident | 84.8 | Confident | 152 Ų | 152 | 62.9 Ų | 62.9 | 57% | 0.574 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.1 | -30.9 | -179.2 | -174.7 | 179.6 | -70.4 | -175.4 | -5.8 | 113 | K42 I43 R48 S49 | K42-R46 WeakPolarHBondContact O-CB 3.43Å; K42-R46 PolarHBondContact O-N 3.41Å; I43-R46 PolarHBondContact O-N 3.12Å; I43-R46 VanDerWaalsContact O-N 3.14Å; R46-R48 PolarHBondContact O-N 2.91Å; R46-S49 PolarHBondContact O-N 3.31Å; R46-S49 VanDerWaalsContact O-N 3.11Å; R46-S49 PolarHBondContact O-OG 3.49Å |
| 47 | K | 85.6 | Confident | 83.7 | Confident | 137 Ų | 137 | 61 Ų | 61 | 60% | 0.596 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -24.7 | 175.3 | -74.1 | 177.6 | -177.7 | 168.4 | 0 | 113.5 | I43 E44 L45 | I43-K47 PolarHBondContact O-N 2.88Å; I43-K47 VanDerWaalsContact O-N 3.1Å; E44-K47 WeakPolarHBondContact OE2-CE 3.39Å; E44-K47 IonicContact OE2-NZ 3.03Å; E44-K47 PolarHBondContact OE2-NZ 3.23Å; L45-K47 VanDerWaalsContact C-N 3.27Å; L45-K47 PolarHBondContact O-N 3.5Å |
| 48 | R | 81.5 | Confident | 83 | Confident | 15 Ų | 15 | 61.1 Ų | 61.1 | 6% | 0.057 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126 | 28.2 | -178.5 | -58.1 | 178.2 | -162.7 | -89.7 | -9.1 | 111.7 | L45 R46 E50 L51 M52 M159 E162 Y258 | L45-R48 CarbonylContact O-C 3.58Å; L45-R48 PolarHBondContact O-N 3.43Å; L45-R48 VanDerWaalsContact O-N 3.15Å; R46-R48 PolarHBondContact O-N 2.91Å; R48-E50 PolarHBondContact O-N 3.12Å; R48-E50 VanDerWaalsContact O-N 3.16Å; R48-L51 PolarHBondContact O-N 2.99Å; R48-M52 HydrophobicContact CB-CE 3.84Å; R48-M52 PolarHBondContact O-N 2.86Å; R48-M159 VanDerWaalsContact NH1-CA 3.26Å; R48-M159 VanDerWaalsContact NH1-CG 3.28Å; R48-E162 IonicContact CZ-OE2 3.41Å; R48-E162 IonicContact NH1-OE2 2.71Å; R48-E162 IonicContact NH2-OE1 3.74Å; R48-E162 PolarHBondContact NH2-OE1 3.47Å; R48-E162 IonicContact NH2-OE2 3.82Å; R48-E162 PolarHBondContact NH2-OE2 2.89Å; R48-Y258 WeakPolarHBondContact CD-OH 3.31Å |
| 49 | S | 81 | Confident | 82.7 | Confident | 41 Ų | 41 | 66.1 Ų | 66.1 | 29% | 0.287 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -56.2 | -34 | -178.3 | 59 | 0 | 0 | 0 | 0 | 111.8 | L45 R46 L51 M52 D53 | L45-S49 PolarHBondContact O-N 2.96Å; R46-S49 PolarHBondContact O-N 3.31Å; R46-S49 VanDerWaalsContact O-N 3.11Å; R46-S49 PolarHBondContact O-OG 3.49Å; S49-L51 PolarHBondContact O-N 2.99Å; S49-M52 CarbonylContact O-C 3.45Å; S49-M52 PolarHBondContact O-N 3.24Å; S49-D53 WeakPolarHBondContact O-CA 3.49Å; S49-D53 VanDerWaalsContact O-CB 3.27Å; S49-D53 WeakPolarHBondContact O-CB 3.46Å; S49-D53 PolarHBondContact O-N 2.87Å |
| 50 | E | 78.5 | Confident | 82.5 | Confident | 83 Ų | 83 | 62.7 Ų | 62.7 | 39% | 0.388 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.5 | -26.9 | 176.9 | -61.8 | -179 | 177.6 | 0 | 0 | 114.3 | R48 Y151 T155 | R48-E50 PolarHBondContact O-N 3.12Å; R48-E50 VanDerWaalsContact O-N 3.16Å; E50-Y151 WeakPolarHBondContact OE1-CB 3.24Å; E50-Y151 WeakPolarHBondContact OE2-CB 3.3Å; E50-T155 HydrophobicContact CB-CG2 4.4Å; E50-T155 WeakPolarHBondContact OE2-CB 3.34Å; E50-T155 PolarHBondContact OE2-OG1 2.83Å |
| 51 | L | 76.7 | Confident | 82.4 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -96.9 | -19.5 | 178.3 | -66.8 | 170.9 | 0 | 0 | 0 | 113.2 | R48 S49 G133 M152 T155 L156 M159 | R48-L51 PolarHBondContact O-N 2.99Å; S49-L51 PolarHBondContact O-N 2.99Å; L51-G133 CarbonylContact O-C 3.51Å; L51-G133 WeakPolarHBondContact O-CA 3.47Å; L51-M152 HydrophobicContact CD2-SD 3.67Å; L51-T155 HydrophobicContact CD1-CG2 3.96Å; L51-T155 HydrophobicContact CG-CG2 4.09Å; L51-L156 HydrophobicContact CD1-CD1 4.28Å; L51-L156 HydrophobicContact CD2-CD1 3.85Å; L51-M159 HydrophobicContact CD1-SD 3.86Å |
| 52 | M | 73.8 | Confident | 82.4 | Confident | 8 Ų | 8 | 61.1 Ų | 61.1 | 4% | 0.039 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -130.1 | 21.4 | -168.6 | -63 | -178.1 | -57 | 0 | 0 | 112.9 | L45 R48 S49 N54 S57 F126 L130 Y258 | L45-M52 HydrophobicContact CD2-CE 3.84Å; L45-M52 HydrophobicContact CD2-SD 4.41Å; R48-M52 HydrophobicContact CB-CE 3.84Å; R48-M52 PolarHBondContact O-N 2.86Å; S49-M52 CarbonylContact O-C 3.45Å; S49-M52 PolarHBondContact O-N 3.24Å; M52-N54 PolarHBondContact O-N 3.3Å; M52-S57 PolarHBondContact O-OG 3.19Å; M52-F126 HydrophobicContact SD-CE2 3.98Å; M52-F126 HydrophobicContact SD-CZ 3.88Å; M52-L130 HydrophobicContact CG-CD1 4.36Å; M52-L130 HydrophobicContact SD-CD1 4.28Å; M52-Y258 HydrophobicContact CE-CE2 4.23Å; M52-Y258 HydrophobicContact SD-CE2 4.32Å |
| 53 | D | 64.1 | Low | 82.5 | Confident | 131 Ų | 131 | 60.1 Ų | 60.1 | 70% | 0.701 | 29% | 0.294 | S | S | * | . | trans | -70.3 | 74.5 | -174 | -156.3 | 20.6 | 0 | 0 | 0 | 111.7 | S49 | S49-D53 WeakPolarHBondContact O-CA 3.49Å; S49-D53 VanDerWaalsContact O-CB 3.27Å; S49-D53 WeakPolarHBondContact O-CB 3.46Å; S49-D53 PolarHBondContact O-N 2.87Å | ||
| 54 | N | 68.6 | Low | 82.6 | Confident | 64 Ų | 64 | 55.4 Ų | 55.4 | 34% | 0.342 | 27% | 0.27 | S | S | . | . | trans | -130.1 | 136.4 | 171.9 | -165.1 | 0.1 | 0 | 0 | 0 | 108.2 | M52 E56 S57 T129 | M52-N54 PolarHBondContact O-N 3.3Å; N54-E56 PolarHBondContact O-N 3.22Å; N54-S57 WeakPolarHBondContact O-CB 3.42Å; N54-S57 PolarHBondContact O-N 3.41Å; N54-S57 PolarHBondContact O-OG 3.38Å; N54-T129 HydrophobicContact CB-CG2 3.97Å | ||
| 55 | N | 67.8 | Low | 83 | Confident | 144 Ų | 144 | 56.4 Ų | 56.4 | 77% | 0.77 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -54 | -29.9 | -179.2 | -87.8 | -13.4 | 0 | 0 | 0 | 112.5 | S57 H58 | N55-S57 VanDerWaalsContact C-N 3.3Å; N55-S57 PolarHBondContact O-N 2.87Å; N55-H58 PolarHBondContact O-N 3.35Å |
| 56 | E | 70.8 | Confident | 83.4 | Confident | 108 Ų | 108 | 58.4 Ų | 58.4 | 51% | 0.505 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63 | -32.5 | 177.8 | -61.3 | -172.2 | 165.6 | 0 | 0 | 113.2 | N54 H58 F59 | N54-E56 PolarHBondContact O-N 3.22Å; E56-H58 VanDerWaalsContact C-N 3.29Å; E56-H58 PolarHBondContact O-N 3.01Å; E56-F59 WeakPolarHBondContact O-CB 3.41Å; E56-F59 PolarHBondContact O-N 3.43Å |
| 57 | S | 73.6 | Confident | 83.8 | Confident | 13 Ų | 13 | 51.8 Ų | 51.8 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.7 | -29 | -178.6 | 72.1 | 0 | 0 | 0 | 0 | 112.5 | L45 M52 N54 N55 P61 | L45-S57 WeakPolarHBondContact CD1-O 3.41Å; M52-S57 PolarHBondContact O-OG 3.19Å; N54-S57 WeakPolarHBondContact O-CB 3.42Å; N54-S57 PolarHBondContact O-N 3.41Å; N54-S57 PolarHBondContact O-OG 3.38Å; N55-S57 VanDerWaalsContact C-N 3.3Å; N55-S57 PolarHBondContact O-N 2.87Å; S57-P61 WeakPolarHBondContact O-CD 3.41Å |
| 58 | H | 83.8 | Confident | 84.4 | Confident | 37 Ų | 37 | 45.3 Ų | 45.3 | 17% | 0.171 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -90.4 | -9.1 | -179.3 | -69 | -50.3 | 0 | 0 | 0 | 114 | N55 E56 P61 N62 | N55-H58 PolarHBondContact O-N 3.35Å; E56-H58 VanDerWaalsContact C-N 3.29Å; E56-H58 PolarHBondContact O-N 3.01Å; H58-P61 WeakPolarHBondContact O-CD 3.48Å; H58-N62 WeakPolarHBondContact O-CB 3.45Å; H58-N62 PolarHBondContact O-N 3.46Å; H58-N62 PolarHBondContact O-ND2 3.09Å; H58-N62 VanDerWaalsContact O-ND2 3.09Å |
| 59 | F | 89.1 | Confident | 85.1 | Confident | 105 Ų | 105 | 49.5 Ų | 49.5 | 46% | 0.461 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.1 | -55.7 | -179.1 | 177.7 | -106.8 | 0 | 0 | 0 | 112.3 | E56 N62 V63 L118 | E56-F59 WeakPolarHBondContact O-CB 3.41Å; E56-F59 PolarHBondContact O-N 3.43Å; F59-N62 PolarHBondContact O-N 3.34Å; F59-V63 HydrophobicContact CD2-CG2 4.35Å; F59-V63 HydrophobicContact CE1-CG2 4.15Å; F59-V63 HydrophobicContact CE2-CG2 3.97Å; F59-V63 HydrophobicContact CZ-CG2 3.87Å; F59-V63 WeakPolarHBondContact O-CG2 3.43Å; F59-V63 PolarHBondContact O-N 2.98Å; F59-L118 HydrophobicContact CE1-CD1 4.38Å |
| 60 | L | 91.8 | Very high | 85.9 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.1 | -48.5 | -176.3 | 179.9 | 65 | 0 | 0 | 0 | 113.3 | F41 N62 V63 L64 L118 M122 M262 | F41-L60 HydrophobicContact CE1-CD2 4.06Å; F41-L60 HydrophobicContact CE1-CG 4.34Å; L60-N62 VanDerWaalsContact C-N 3.3Å; L60-N62 PolarHBondContact O-N 3.13Å; L60-V63 PolarHBondContact O-N 2.9Å; L60-L64 HydrophobicContact CG-CD1 4.29Å; L60-L64 WeakPolarHBondContact O-CG 3.13Å; L60-L64 PolarHBondContact O-N 3.15Å; L60-L118 HydrophobicContact CD1-CB 4.26Å; L60-M122 HydrophobicContact CD2-CB 4.2Å; L60-M122 HydrophobicContact CD2-CG 4.33Å; L60-M262 HydrophobicContact CD2-CE 4.46Å; L60-M262 HydrophobicContact CD2-CG 4.03Å; L60-M262 HydrophobicContact CD2-SD 4.13Å |
| 61 | P | 94 | Very high | 86.8 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.2 | -39.3 | 174.3 | -16.7 | 22.1 | 0 | 0 | 0 | 113.5 | F41 K42 L45 S57 H58 L64 I65 | F41-P61 HydrophobicContact CD1-CB 4.05Å; F41-P61 HydrophobicContact CD1-CG 3.57Å; F41-P61 HydrophobicContact CE1-CG 3.76Å; F41-P61 HydrophobicContact CG-CG 4.42Å; K42-P61 HydrophobicContact CB-CB 3.74Å; K42-P61 HydrophobicContact CG-CB 4.32Å; L45-P61 HydrophobicContact CD1-CG 3.65Å; S57-P61 WeakPolarHBondContact O-CD 3.41Å; H58-P61 WeakPolarHBondContact O-CD 3.48Å; P61-L64 PolarHBondContact O-N 3.39Å; P61-I65 WeakPolarHBondContact O-CD1 3.24Å; P61-I65 VanDerWaalsContact O-CG1 3.26Å; P61-I65 WeakPolarHBondContact O-CG1 3.3Å; P61-I65 PolarHBondContact O-N 2.93Å |
| 62 | N | 94.8 | Very high | 87.7 | Confident | 69 Ų | 69 | 48 Ų | 48 | 37% | 0.369 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 179.2 | -71.3 | -19.3 | 0 | 0 | 0 | 111.7 | K42 H58 F59 L60 I65 A66 | K42-N62 WeakPolarHBondContact CE-OD1 3.42Å; K42-N62 PolarHBondContact NZ-OD1 3.38Å; H58-N62 WeakPolarHBondContact O-CB 3.45Å; H58-N62 PolarHBondContact O-N 3.46Å; H58-N62 PolarHBondContact O-ND2 3.09Å; H58-N62 VanDerWaalsContact O-ND2 3.09Å; F59-N62 PolarHBondContact O-N 3.34Å; L60-N62 VanDerWaalsContact C-N 3.3Å; L60-N62 PolarHBondContact O-N 3.13Å; N62-I65 PolarHBondContact O-N 3.32Å; N62-A66 PolarHBondContact O-N 3.4Å |
| 63 | V | 95.6 | Very high | 88.8 | Confident | 33 Ų | 33 | 49.7 Ų | 49.7 | 20% | 0.2 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61 | -46.3 | 173.8 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | F59 L60 I65 A66 M67 T115 | F59-V63 HydrophobicContact CD2-CG2 4.35Å; F59-V63 HydrophobicContact CE1-CG2 4.15Å; F59-V63 HydrophobicContact CE2-CG2 3.97Å; F59-V63 HydrophobicContact CZ-CG2 3.87Å; F59-V63 WeakPolarHBondContact O-CG2 3.43Å; F59-V63 PolarHBondContact O-N 2.98Å; L60-V63 PolarHBondContact O-N 2.9Å; V63-I65 VanDerWaalsContact C-N 3.35Å; V63-I65 PolarHBondContact O-N 3.22Å; V63-A66 PolarHBondContact O-N 2.91Å; V63-M67 HydrophobicContact CG1-CG 4.07Å; V63-M67 WeakPolarHBondContact O-CB 3.16Å; V63-M67 VanDerWaalsContact O-CG 3.26Å; V63-M67 WeakPolarHBondContact O-CG 3.46Å; V63-M67 PolarHBondContact O-N 3.19Å; V63-T115 HydrophobicContact CG1-CG2 3.91Å |
| 64 | L | 96.5 | Very high | 90.2 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59 | -43.1 | 177.9 | -72 | 166.2 | 0 | 0 | 0 | 112.8 | V34 F41 L60 P61 M67 G68 T115 I265 V269 | V34-L64 HydrophobicContact CG1-CD2 4.47Å; F41-L64 HydrophobicContact CD1-CD1 4.33Å; L60-L64 HydrophobicContact CG-CD1 4.29Å; L60-L64 WeakPolarHBondContact O-CG 3.13Å; L60-L64 PolarHBondContact O-N 3.15Å; P61-L64 PolarHBondContact O-N 3.39Å; L64-M67 PolarHBondContact O-N 3.45Å; L64-G68 PolarHBondContact O-N 3.28Å; L64-T115 HydrophobicContact CD2-CG2 3.88Å; L64-I265 HydrophobicContact CD1-CG2 3.77Å; L64-I265 HydrophobicContact CD2-CG2 3.8Å; L64-I265 HydrophobicContact CG-CG2 4.45Å; L64-V269 HydrophobicContact CD2-CG2 3.91Å |
| 65 | I | 97.7 | Very high | 91.5 | Very high | 28 Ų | 28 | 40.9 Ų | 40.9 | 14% | 0.144 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.9 | -46.6 | 177 | -66.5 | 161.9 | 0 | 0 | 0 | 110.6 | L39 K42 P61 N62 V63 G68 L69 | L39-I65 HydrophobicContact CD2-CD1 3.79Å; L39-I65 HydrophobicContact CD2-CG1 4.16Å; L39-I65 HydrophobicContact CG-CD1 4.37Å; L39-I65 HydrophobicContact CG-CG1 4.26Å; K42-I65 HydrophobicContact CB-CD1 4.45Å; K42-I65 HydrophobicContact CD-CD1 3.78Å; P61-I65 WeakPolarHBondContact O-CD1 3.24Å; P61-I65 VanDerWaalsContact O-CG1 3.26Å; P61-I65 WeakPolarHBondContact O-CG1 3.3Å; P61-I65 PolarHBondContact O-N 2.93Å; N62-I65 PolarHBondContact O-N 3.32Å; V63-I65 VanDerWaalsContact C-N 3.35Å; V63-I65 PolarHBondContact O-N 3.22Å; I65-G68 PolarHBondContact O-N 3.21Å; I65-L69 HydrophobicContact CG2-CD1 4.44Å; I65-L69 WeakPolarHBondContact O-CG 3.42Å; I65-L69 PolarHBondContact O-N 3.38Å |
| 66 | A | 97.6 | Very high | 92.8 | Very high | 45 Ų | 45 | 36.3 Ų | 36.3 | 37% | 0.372 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.1 | -46.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N62 V63 G68 L69 I70 | N62-A66 PolarHBondContact O-N 3.4Å; V63-A66 PolarHBondContact O-N 2.91Å; A66-G68 VanDerWaalsContact C-N 3.35Å; A66-G68 PolarHBondContact O-N 3.47Å; A66-L69 PolarHBondContact O-N 3.23Å; A66-I70 VanDerWaalsContact O-CG1 3.27Å; A66-I70 WeakPolarHBondContact O-CG1 3.09Å; A66-I70 PolarHBondContact O-N 2.99Å |
| 67 | M | 97.2 | Very high | 93.9 | Very high | 13 Ų | 13 | 34.4 Ų | 34.4 | 6% | 0.064 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.6 | -38.9 | 178.5 | -68 | -53.7 | -68.4 | 0 | 0 | 112.1 | V63 L64 I70 A71 F108 L111 L112 T115 | V63-M67 HydrophobicContact CG1-CG 4.07Å; V63-M67 WeakPolarHBondContact O-CB 3.16Å; V63-M67 VanDerWaalsContact O-CG 3.26Å; V63-M67 WeakPolarHBondContact O-CG 3.46Å; V63-M67 PolarHBondContact O-N 3.19Å; L64-M67 PolarHBondContact O-N 3.45Å; M67-I70 PolarHBondContact O-N 3.49Å; M67-A71 VanDerWaalsContact O-CB 3.31Å; M67-A71 WeakPolarHBondContact O-CB 3.44Å; M67-A71 PolarHBondContact O-N 3.13Å; M67-F108 HydrophobicContact CE-CD2 3.71Å; M67-F108 HydrophobicContact CE-CE2 3.28Å; M67-F108 HydrophobicContact CE-CZ 4.07Å; M67-F108 HydrophobicContact SD-CE2 4.26Å; M67-L111 HydrophobicContact CE-CB 3.63Å; M67-L111 HydrophobicContact SD-CB 4.28Å; M67-L112 HydrophobicContact CB-CD2 4.19Å; M67-L112 HydrophobicContact CE-CB 4.4Å; M67-L112 HydrophobicContact CE-CD2 3.53Å; M67-L112 HydrophobicContact CE-CG 3.64Å; M67-T115 HydrophobicContact CG-CG2 4.38Å |
| 68 | G | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L64 I65 A66 A71 C72 | L64-G68 PolarHBondContact O-N 3.28Å; I65-G68 PolarHBondContact O-N 3.21Å; A66-G68 VanDerWaalsContact C-N 3.35Å; A66-G68 PolarHBondContact O-N 3.47Å; G68-A71 PolarHBondContact O-N 3.47Å; G68-C72 PolarHBondContact O-N 3.41Å; G68-C72 VanDerWaalsContact O-N 3.09Å; G68-C72 PolarHBondContact O-SG 2.95Å |
| 69 | L | 97.6 | Very high | 95 | Very high | 104 Ų | 104 | 32.1 Ų | 32.1 | 55% | 0.545 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63 | -46.9 | 175 | -75.7 | 173.6 | 0 | 0 | 0 | 111.9 | L35 I65 A66 A71 C72 G73 | L35-L69 HydrophobicContact CD1-CB 4.44Å; L35-L69 HydrophobicContact CD1-CD2 3.29Å; L35-L69 HydrophobicContact CD1-CG 3.51Å; I65-L69 HydrophobicContact CG2-CD1 4.44Å; I65-L69 WeakPolarHBondContact O-CG 3.42Å; I65-L69 PolarHBondContact O-N 3.38Å; A66-L69 PolarHBondContact O-N 3.23Å; L69-A71 VanDerWaalsContact C-N 3.35Å; L69-C72 PolarHBondContact O-N 3.44Å; L69-G73 PolarHBondContact O-N 3.44Å; L69-G73 VanDerWaalsContact O-N 3.1Å |
| 70 | I | 96.8 | Very high | 95 | Very high | 72 Ų | 72 | 32.6 Ų | 32.6 | 37% | 0.369 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.6 | -42.7 | 179.2 | -65.3 | 166.4 | 0 | 0 | 0 | 110.1 | A66 M67 C72 G73 I74 F108 | A66-I70 VanDerWaalsContact O-CG1 3.27Å; A66-I70 WeakPolarHBondContact O-CG1 3.09Å; A66-I70 PolarHBondContact O-N 2.99Å; M67-I70 PolarHBondContact O-N 3.49Å; I70-C72 VanDerWaalsContact C-N 3.34Å; I70-C72 PolarHBondContact O-N 3.18Å; I70-G73 PolarHBondContact O-N 3.3Å; I70-I74 HydrophobicContact CG2-CD1 3.51Å; I70-I74 HydrophobicContact CG2-CG1 4.09Å; I70-I74 WeakPolarHBondContact O-CB 3.24Å; I70-I74 WeakPolarHBondContact O-CG1 3.43Å; I70-I74 PolarHBondContact O-N 3Å; I70-F108 HydrophobicContact CB-CD2 4.49Å; I70-F108 HydrophobicContact CB-CE2 3.9Å; I70-F108 HydrophobicContact CG2-CD2 3.58Å; I70-F108 HydrophobicContact CG2-CE2 3.42Å; I70-F108 VanDerWaalsContact CG2-CE2 3.42Å; I70-F108 HydrophobicContact CG2-CZ 4.27Å |
| 71 | A | 96.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.5 | -47.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | M67 G68 L69 G73 I74 N75 F108 | M67-A71 VanDerWaalsContact O-CB 3.31Å; M67-A71 WeakPolarHBondContact O-CB 3.44Å; M67-A71 PolarHBondContact O-N 3.13Å; G68-A71 PolarHBondContact O-N 3.47Å; L69-A71 VanDerWaalsContact C-N 3.35Å; A71-G73 VanDerWaalsContact C-N 3.35Å; A71-G73 PolarHBondContact O-N 3.33Å; A71-I74 PolarHBondContact O-N 2.85Å; A71-N75 WeakPolarHBondContact O-CB 3.47Å; A71-N75 PolarHBondContact O-N 3.39Å; A71-N75 PolarHBondContact O-ND2 2.9Å; A71-F108 HydrophobicContact CB-CE1 4.2Å; A71-F108 HydrophobicContact CB-CZ 3.71Å |
| 72 | C | 96.8 | Very high | 94.4 | Very high | 26 Ų | 26 | 32.4 Ų | 32.4 | 18% | 0.176 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.1 | -45.5 | 179 | -65.5 | 0 | 0 | 0 | 0 | 111.6 | G31 I32 G68 L69 I70 A76 | G31-C72 VanDerWaalsContact C-SG 3.51Å; I32-C72 PolarHBondContact N-SG 3.18Å; I32-C72 VanDerWaalsContact N-SG 3.44Å; G68-C72 PolarHBondContact O-N 3.41Å; G68-C72 VanDerWaalsContact O-N 3.09Å; G68-C72 PolarHBondContact O-SG 2.95Å; L69-C72 PolarHBondContact O-N 3.44Å; I70-C72 VanDerWaalsContact C-N 3.34Å; I70-C72 PolarHBondContact O-N 3.18Å; C72-A76 VanDerWaalsContact O-CB 3.22Å; C72-A76 WeakPolarHBondContact O-CB 3.35Å; C72-A76 PolarHBondContact O-N 3.45Å |
| 73 | G | 96.1 | Very high | 94 | Very high | 44 Ų | 44 | 35.2 Ų | 35.2 | 45% | 0.454 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.4 | -48.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L69 I70 A71 F77 | L69-G73 PolarHBondContact O-N 3.44Å; L69-G73 VanDerWaalsContact O-N 3.1Å; I70-G73 PolarHBondContact O-N 3.3Å; A71-G73 VanDerWaalsContact C-N 3.35Å; A71-G73 PolarHBondContact O-N 3.33Å; G73-F77 WeakPolarHBondContact O-CB 3.46Å; G73-F77 PolarHBondContact O-N 3.12Å |
| 74 | I | 94.7 | Very high | 93.5 | Very high | 10 Ų | 10 | 34.3 Ų | 34.3 | 5% | 0.051 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.5 | -46.4 | 179 | -69.5 | 175.2 | 0 | 0 | 0 | 110.6 | I70 A71 F77 G78 F101 F104 F108 | I70-I74 HydrophobicContact CG2-CD1 3.51Å; I70-I74 HydrophobicContact CG2-CG1 4.09Å; I70-I74 WeakPolarHBondContact O-CB 3.24Å; I70-I74 WeakPolarHBondContact O-CG1 3.43Å; I70-I74 PolarHBondContact O-N 3Å; A71-I74 PolarHBondContact O-N 2.85Å; I74-F77 PolarHBondContact O-N 3.12Å; I74-G78 PolarHBondContact O-N 3.24Å; I74-F101 HydrophobicContact CG2-CE2 4.14Å; I74-F101 HydrophobicContact CG2-CZ 4Å; I74-F104 HydrophobicContact CD1-CD1 3.92Å; I74-F104 HydrophobicContact CD1-CE1 3.36Å; I74-F104 HydrophobicContact CD1-CZ 4.18Å; I74-F104 HydrophobicContact CG1-CD1 4.19Å; I74-F104 HydrophobicContact CG1-CE1 3.61Å; I74-F108 HydrophobicContact CD1-CB 3.76Å; I74-F108 HydrophobicContact CD1-CD1 3.66Å; I74-F108 HydrophobicContact CD1-CD2 3.71Å; I74-F108 HydrophobicContact CD1-CE1 4.17Å; I74-F108 HydrophobicContact CD1-CE2 4.23Å; I74-F108 HydrophobicContact CD1-CG 3.41Å; I74-F108 VanDerWaalsContact CD1-CG 3.41Å; I74-F108 HydrophobicContact CD1-CZ 4.44Å |
| 75 | N | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -72.6 | -37.1 | -176.8 | -72.9 | -58.2 | 0 | 0 | 0 | 113.2 | Y24 A27 V28 A71 F77 G78 G79 E276 | Y24-N75 HydrophobicContact CD1-CB 4.11Å; Y24-N75 WeakPolarHBondContact CD1-OD1 3.43Å; A27-N75 HydrophobicContact CB-CB 4.16Å; A27-N75 VanDerWaalsContact CB-CG 3.43Å; A27-N75 WeakPolarHBondContact CB-OD1 3.49Å; V28-N75 HydrophobicContact CG2-CB 3.54Å; A71-N75 WeakPolarHBondContact O-CB 3.47Å; A71-N75 PolarHBondContact O-N 3.39Å; A71-N75 PolarHBondContact O-ND2 2.9Å; N75-F77 VanDerWaalsContact C-N 3.3Å; N75-F77 PolarHBondContact O-N 2.9Å; N75-G78 PolarHBondContact O-N 3.26Å; N75-G79 PolarHBondContact O-N 3.46Å; N75-E276 PolarHBondContact ND2-OE1 2.84Å; N75-E276 PolarHBondContact OD1-OE2 3.5Å |
| 76 | A | 94.6 | Very high | 91.3 | Very high | 47 Ų | 47 | 36.2 Ų | 36.2 | 39% | 0.388 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.9 | -41.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | V28 C72 K80 | V28-A76 HydrophobicContact CG2-CB 4.26Å; C72-A76 VanDerWaalsContact O-CB 3.22Å; C72-A76 WeakPolarHBondContact O-CB 3.35Å; C72-A76 PolarHBondContact O-N 3.45Å; A76-K80 PolarHBondContact O-N 2.94Å; A76-K80 VanDerWaalsContact O-N 3.11Å |
| 77 | F | 92.5 | Very high | 90.4 | Very high | 69 Ų | 69 | 37.1 Ų | 37.1 | 30% | 0.303 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.5 | -46.1 | 174.7 | -173 | -98.1 | 0 | 0 | 0 | 112 | G73 I74 N75 G79 K80 V81 W94 M97 F101 | G73-F77 WeakPolarHBondContact O-CB 3.46Å; G73-F77 PolarHBondContact O-N 3.12Å; I74-F77 PolarHBondContact O-N 3.12Å; N75-F77 VanDerWaalsContact C-N 3.3Å; N75-F77 PolarHBondContact O-N 2.9Å; F77-G79 VanDerWaalsContact C-N 3.32Å; F77-G79 PolarHBondContact O-N 2.89Å; F77-K80 WeakPolarHBondContact O-CB 3.33Å; F77-K80 PolarHBondContact O-N 3.3Å; F77-K80 VanDerWaalsContact O-N 3.14Å; F77-V81 HydrophobicContact CD1-CG2 3.94Å; F77-V81 HydrophobicContact CE1-CG2 3.76Å; F77-V81 HydrophobicContact CZ-CG2 4.25Å; F77-V81 VanDerWaalsContact O-CG2 3.32Å; F77-V81 WeakPolarHBondContact O-CG2 3.33Å; F77-V81 PolarHBondContact O-N 2.85Å; F77-W94 HydrophobicContact CE1-CH2 4.5Å; F77-W94 HydrophobicContact CE1-CZ3 4.07Å; F77-W94 AromaticContact CE2-CH2 3.74Å; F77-W94 HydrophobicContact CE2-CH2 3.74Å; F77-W94 HydrophobicContact CE2-CZ3 4.06Å; F77-W94 AromaticContact CZ-CH2 3.62Å; F77-W94 HydrophobicContact CZ-CH2 3.62Å; F77-W94 AromaticContact CZ-CZ3 3.43Å; F77-W94 HydrophobicContact CZ-CZ3 3.43Å; F77-W94 VanDerWaalsContact CZ-CZ3 3.43Å; F77-M97 HydrophobicContact CZ-CE 4.16Å; F77-M97 HydrophobicContact CZ-SD 4.27Å; F77-F101 AromaticContact CD1-CD2 3.81Å; F77-F101 HydrophobicContact CD1-CD2 3.81Å; F77-F101 HydrophobicContact CD1-CE1 4.34Å; F77-F101 AromaticContact CD1-CE2 3.47Å; F77-F101 HydrophobicContact CD1-CE2 3.47Å; F77-F101 VanDerWaalsContact CD1-CE2 3.47Å; F77-F101 HydrophobicContact CD1-CG 4.39Å; F77-F101 AromaticContact CD1-CZ 3.77Å; F77-F101 HydrophobicContact CD1-CZ 3.77Å; F77-F101 AromaticContact CE1-CD2 3.83Å; F77-F101 HydrophobicContact CE1-CD2 3.83Å; F77-F101 HydrophobicContact CE1-CE2 4Å; F77-F101 HydrophobicContact CE1-CG 4.18Å; F77-F101 HydrophobicContact CE1-CZ 4.48Å |
| 78 | G | 91.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.1 | -39.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I74 N75 V81 C82 | I74-G78 PolarHBondContact O-N 3.24Å; N75-G78 PolarHBondContact O-N 3.26Å; G78-V81 PolarHBondContact O-N 2.9Å; G78-C82 WeakPolarHBondContact O-CB 3.2Å; G78-C82 PolarHBondContact O-N 3.49Å |
| 79 | G | 90.4 | Very high | 87.9 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | W21 N75 F77 C82 Y83 | W21-G79 VanDerWaalsContact CD1-O 3.27Å; N75-G79 PolarHBondContact O-N 3.46Å; F77-G79 VanDerWaalsContact C-N 3.32Å; F77-G79 PolarHBondContact O-N 2.89Å; G79-C82 PolarHBondContact O-N 3.37Å; G79-Y83 WeakPolarHBondContact O-CB 3.33Å; G79-Y83 PolarHBondContact O-N 3.11Å |
| 80 | K | 89.9 | Confident | 87 | Confident | 114 Ų | 114 | 43.5 Ų | 43.5 | 50% | 0.496 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.8 | -45.6 | 174.3 | 179.9 | 178 | 172.2 | 56.7 | 0 | 111.8 | A76 F77 C82 Y83 D84 | A76-K80 PolarHBondContact O-N 2.94Å; A76-K80 VanDerWaalsContact O-N 3.11Å; F77-K80 WeakPolarHBondContact O-CB 3.33Å; F77-K80 PolarHBondContact O-N 3.3Å; F77-K80 VanDerWaalsContact O-N 3.14Å; K80-C82 VanDerWaalsContact C-N 3.34Å; K80-C82 PolarHBondContact O-N 3.35Å; K80-Y83 PolarHBondContact O-N 3.45Å; K80-D84 IonicContact NZ-OD2 2.56Å; K80-D84 WeakPolarHBondContact O-CB 3.37Å; K80-D84 PolarHBondContact O-N 3.11Å |
| 81 | V | 87.2 | Confident | 86 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 177.7 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | F77 G78 Y83 D84 S85 W94 L98 L283 | F77-V81 HydrophobicContact CD1-CG2 3.94Å; F77-V81 HydrophobicContact CE1-CG2 3.76Å; F77-V81 HydrophobicContact CZ-CG2 4.25Å; F77-V81 VanDerWaalsContact O-CG2 3.32Å; F77-V81 WeakPolarHBondContact O-CG2 3.33Å; F77-V81 PolarHBondContact O-N 2.85Å; G78-V81 PolarHBondContact O-N 2.9Å; V81-Y83 PolarHBondContact O-N 3.22Å; V81-D84 PolarHBondContact O-N 2.71Å; V81-S85 WeakPolarHBondContact O-CB 3.29Å; V81-S85 PolarHBondContact O-N 3.01Å; V81-S85 PolarHBondContact O-OG 2.8Å; V81-W94 HydrophobicContact CG2-CD2 4.37Å; V81-W94 HydrophobicContact CG2-CE3 3.9Å; V81-W94 HydrophobicContact CG2-CH2 4.04Å; V81-W94 HydrophobicContact CG2-CZ2 4.48Å; V81-W94 HydrophobicContact CG2-CZ3 3.72Å; V81-L98 HydrophobicContact CG1-CD1 3.21Å; V81-L283 HydrophobicContact CG1-CD1 4.34Å |
| 82 | C | 86.1 | Confident | 84.9 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.6 | -38.2 | 178.5 | -166.6 | 0 | 0 | 0 | 0 | 112.2 | A17 W21 Y24 G78 G79 K80 S85 | A17-C82 PolarHBondContact O-SG 2.73Å; W21-C82 HydrophobicContact CB-CB 4.48Å; Y24-C82 HydrophobicContact CD2-CB 4.31Å; G78-C82 WeakPolarHBondContact O-CB 3.2Å; G78-C82 PolarHBondContact O-N 3.49Å; G79-C82 PolarHBondContact O-N 3.37Å; K80-C82 VanDerWaalsContact C-N 3.34Å; K80-C82 PolarHBondContact O-N 3.35Å; C82-S85 WeakPolarHBondContact O-CB 3.43Å; C82-S85 PolarHBondContact O-N 3.24Å |
| 83 | Y | 85.7 | Confident | 84.1 | Confident | 128 Ų | 128 | 51 Ų | 51 | 50% | 0.502 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64 | -49.2 | 173 | -177.6 | -94.1 | 0 | 0 | 0 | 111.8 | G79 K80 V81 S85 L86 | G79-Y83 WeakPolarHBondContact O-CB 3.33Å; G79-Y83 PolarHBondContact O-N 3.11Å; K80-Y83 PolarHBondContact O-N 3.45Å; V81-Y83 PolarHBondContact O-N 3.22Å; Y83-S85 PolarHBondContact O-N 2.72Å; Y83-L86 WeakPolarHBondContact O-CB 3.41Å; Y83-L86 PolarHBondContact O-N 2.65Å; Y83-L86 VanDerWaalsContact O-N 3.11Å |
| 84 | D | 84.9 | Confident | 83.2 | Confident | 14 Ų | 14 | 51 Ų | 51 | 8% | 0.075 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.5 | -19.3 | 178.8 | -73.5 | -18.3 | 0 | 0 | 0 | 112.1 | K80 V81 L86 D87 K90 W94 | K80-D84 IonicContact NZ-OD2 2.56Å; K80-D84 WeakPolarHBondContact O-CB 3.37Å; K80-D84 PolarHBondContact O-N 3.11Å; V81-D84 PolarHBondContact O-N 2.71Å; D84-L86 VanDerWaalsContact C-N 3.26Å; D84-L86 PolarHBondContact O-N 2.93Å; D84-D87 PolarHBondContact O-N 3.48Å; D84-D87 VanDerWaalsContact O-O 3.13Å; D84-K90 HydrophobicContact CB-CB 4.34Å; D84-K90 HydrophobicContact CB-CD 4.42Å; D84-W94 PolarHBondContact OD2-NE1 3.16Å |
| 85 | S | 76.1 | Confident | 82.3 | Confident | 7 Ų | 7 | 55 Ų | 55 | 5% | 0.049 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -16.3 | 174.9 | -57.9 | 0 | 0 | 0 | 0 | 113.5 | V81 C82 Y83 | V81-S85 WeakPolarHBondContact O-CB 3.29Å; V81-S85 PolarHBondContact O-N 3.01Å; V81-S85 PolarHBondContact O-OG 2.8Å; C82-S85 WeakPolarHBondContact O-CB 3.43Å; C82-S85 PolarHBondContact O-N 3.24Å; Y83-S85 PolarHBondContact O-N 2.72Å |
| 86 | L | 72.3 | Confident | 81.6 | Confident | 63 Ų | 63 | 59.7 Ų | 59.7 | 33% | 0.33 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -21.8 | 171.1 | -66.9 | 167.4 | 0 | 0 | 0 | 112 | V14 A17 Y83 D84 | V14-L86 HydrophobicContact CG1-CD2 4.24Å; A17-L86 HydrophobicContact CB-CD2 3.55Å; A17-L86 HydrophobicContact CB-CG 4.15Å; Y83-L86 WeakPolarHBondContact O-CB 3.41Å; Y83-L86 PolarHBondContact O-N 2.65Å; Y83-L86 VanDerWaalsContact O-N 3.11Å; D84-L86 VanDerWaalsContact C-N 3.26Å; D84-L86 PolarHBondContact O-N 2.93Å |
| 87 | D | 78 | Confident | 81.1 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 34% | 0.337 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -101.2 | 114.9 | 178.1 | -77.8 | -30.5 | 0 | 0 | 0 | 110.7 | D84 T89 K90 F91 | D84-D87 PolarHBondContact O-N 3.48Å; D84-D87 VanDerWaalsContact O-O 3.13Å; D87-T89 VanDerWaalsContact C-N 3.33Å; D87-T89 PolarHBondContact O-N 2.85Å; D87-K90 HydrophobicContact CB-CB 4.02Å; D87-K90 HydrophobicContact CB-CD 3.89Å; D87-K90 HydrophobicContact CB-CG 4Å; D87-K90 PolarHBondContact O-N 2.86Å; D87-K90 VanDerWaalsContact O-N 3.12Å; D87-K90 WeakPolarHBondContact OD2-CE 3.35Å; D87-K90 IonicContact OD2-NZ 2.76Å; D87-K90 PolarHBondContact OD2-NZ 3.12Å; D87-F91 PolarHBondContact O-N 3.13Å |
| 88 | P | 69.3 | Low | 80.7 | Confident | 57 Ų | 57 | 59.1 Ų | 59.1 | 37% | 0.37 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.1 | -38.4 | -174.5 | -22.9 | 32 | 0 | 0 | 0 | 114.1 | K90 F91 A92 M299 | P88-K90 PolarHBondContact O-N 3.28Å; P88-F91 PolarHBondContact O-N 2.98Å; P88-A92 PolarHBondContact O-N 3.24Å; P88-A92 VanDerWaalsContact O-N 3.09Å; P88-M299 HydrophobicContact CB-SD 4.39Å; P88-M299 HydrophobicContact CG-CE 3.4Å; P88-M299 VanDerWaalsContact CG-CE 3.4Å; P88-M299 HydrophobicContact CG-CG 3.87Å; P88-M299 HydrophobicContact CG-SD 3.13Å; P88-M299 WeakPolarHBondContact CG-SD 3.46Å |
| 89 | T | 73.5 | Confident | 80.3 | Confident | 111 Ų | 111 | 65.5 Ų | 65.5 | 68% | 0.681 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66.8 | -29.6 | -179.3 | 56.8 | 0 | 0 | 0 | 0 | 111.8 | D87 | D87-T89 VanDerWaalsContact C-N 3.33Å; D87-T89 PolarHBondContact O-N 2.85Å |
| 90 | K | 78.1 | Confident | 80.1 | Confident | 84 Ų | 84 | 70.3 Ų | 70.3 | 37% | 0.365 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -84.8 | -40.9 | 174.8 | -64.1 | -178.6 | -171.8 | 156.6 | 0 | 111 | D84 D87 P88 A92 K93 W94 | D84-K90 HydrophobicContact CB-CB 4.34Å; D84-K90 HydrophobicContact CB-CD 4.42Å; D87-K90 HydrophobicContact CB-CB 4.02Å; D87-K90 HydrophobicContact CB-CD 3.89Å; D87-K90 HydrophobicContact CB-CG 4Å; D87-K90 PolarHBondContact O-N 2.86Å; D87-K90 VanDerWaalsContact O-N 3.12Å; D87-K90 WeakPolarHBondContact OD2-CE 3.35Å; D87-K90 IonicContact OD2-NZ 2.76Å; D87-K90 PolarHBondContact OD2-NZ 3.12Å; P88-K90 PolarHBondContact O-N 3.28Å; K90-A92 VanDerWaalsContact C-N 3.31Å; K90-A92 PolarHBondContact O-N 3.39Å; K90-K93 WeakPolarHBondContact O-CB 3.33Å; K90-K93 PolarHBondContact O-N 2.92Å; K90-K93 VanDerWaalsContact O-N 3.08Å; K90-W94 VanDerWaalsContact O-CD1 3.32Å; K90-W94 PolarHBondContact O-N 3.05Å |
| 91 | F | 75.8 | Confident | 80.1 | Confident | 13 Ų | 13 | 65.8 Ų | 65.8 | 6% | 0.057 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.8 | -41.3 | 178.9 | -177.3 | -104.3 | 0 | 0 | 0 | 112.7 | D87 P88 K93 W94 K95 L290 | D87-F91 PolarHBondContact O-N 3.13Å; P88-F91 PolarHBondContact O-N 2.98Å; F91-K93 PolarHBondContact O-N 3.4Å; F91-K93 VanDerWaalsContact O-N 3.13Å; F91-W94 PolarHBondContact O-N 3.24Å; F91-K95 HydrophobicContact CE1-CB 4.42Å; F91-K95 HydrophobicContact CE1-CD 4.34Å; F91-K95 HydrophobicContact CE1-CG 4.44Å; F91-K95 PolarHBondContact O-N 3.44Å; F91-L290 HydrophobicContact CD1-CB 3.95Å; F91-L290 HydrophobicContact CD1-CD1 4.05Å; F91-L290 HydrophobicContact CD2-CD1 3.6Å; F91-L290 HydrophobicContact CE1-CB 3.3Å; F91-L290 HydrophobicContact CE1-CD1 3.95Å; F91-L290 HydrophobicContact CE1-CG 4.23Å; F91-L290 HydrophobicContact CE2-CB 4.18Å; F91-L290 HydrophobicContact CE2-CD1 3.47Å; F91-L290 VanDerWaalsContact CE2-CD1 3.47Å; F91-L290 HydrophobicContact CE2-CG 4.47Å; F91-L290 HydrophobicContact CG-CD1 3.89Å; F91-L290 HydrophobicContact CZ-CB 3.44Å; F91-L290 VanDerWaalsContact CZ-CB 3.44Å; F91-L290 HydrophobicContact CZ-CD1 3.67Å; F91-L290 HydrophobicContact CZ-CG 4.2Å |
| 92 | A | 73.3 | Confident | 80.2 | Confident | 68 Ų | 68 | 65.9 Ų | 65.9 | 56% | 0.562 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -55.7 | -32.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P88 K90 | P88-A92 PolarHBondContact O-N 3.24Å; P88-A92 VanDerWaalsContact O-N 3.09Å; K90-A92 VanDerWaalsContact C-N 3.31Å; K90-A92 PolarHBondContact O-N 3.39Å |
| 93 | K | 80.1 | Confident | 80.3 | Confident | 175 Ų | 175 | 70.6 Ų | 70.6 | 76% | 0.761 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -77.7 | -33.6 | 176.3 | -61.4 | -178.4 | -179.6 | 179.5 | 0 | 112.6 | K90 F91 P96 | K90-K93 WeakPolarHBondContact O-CB 3.33Å; K90-K93 PolarHBondContact O-N 2.92Å; K90-K93 VanDerWaalsContact O-N 3.08Å; F91-K93 PolarHBondContact O-N 3.4Å; F91-K93 VanDerWaalsContact O-N 3.13Å; K93-P96 WeakPolarHBondContact O-CD 3.16Å |
| 94 | W | 76.8 | Confident | 80.6 | Confident | 46 Ų | 46 | 70 Ų | 70 | 17% | 0.174 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -79.4 | -28.8 | -179.1 | -80.7 | 111.1 | 0 | 0 | 0 | 113.8 | F77 V81 D84 K90 F91 M97 L98 | F77-W94 HydrophobicContact CE1-CH2 4.5Å; F77-W94 HydrophobicContact CE1-CZ3 4.07Å; F77-W94 AromaticContact CE2-CH2 3.74Å; F77-W94 HydrophobicContact CE2-CH2 3.74Å; F77-W94 HydrophobicContact CE2-CZ3 4.06Å; F77-W94 AromaticContact CZ-CH2 3.62Å; F77-W94 HydrophobicContact CZ-CH2 3.62Å; F77-W94 AromaticContact CZ-CZ3 3.43Å; F77-W94 HydrophobicContact CZ-CZ3 3.43Å; F77-W94 VanDerWaalsContact CZ-CZ3 3.43Å; V81-W94 HydrophobicContact CG2-CD2 4.37Å; V81-W94 HydrophobicContact CG2-CE3 3.9Å; V81-W94 HydrophobicContact CG2-CH2 4.04Å; V81-W94 HydrophobicContact CG2-CZ2 4.48Å; V81-W94 HydrophobicContact CG2-CZ3 3.72Å; D84-W94 PolarHBondContact OD2-NE1 3.16Å; K90-W94 VanDerWaalsContact O-CD1 3.32Å; K90-W94 PolarHBondContact O-N 3.05Å; F91-W94 PolarHBondContact O-N 3.24Å; W94-M97 HydrophobicContact CE3-CB 4.43Å; W94-M97 HydrophobicContact CE3-SD 3.89Å; W94-M97 HydrophobicContact CH2-SD 4.39Å; W94-M97 HydrophobicContact CZ3-SD 3.44Å; W94-M97 WeakPolarHBondContact CZ3-SD 3.37Å; W94-M97 WeakPolarHBondContact O-CB 3.34Å; W94-M97 PolarHBondContact O-N 3.21Å; W94-L98 PolarHBondContact O-N 3.05Å |
| 95 | K | 77.7 | Confident | 80.9 | Confident | 92 Ų | 92 | 69.5 Ų | 69.5 | 40% | 0.4 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -44.9 | -49.7 | -177.8 | -170.2 | 174.7 | -176.8 | 175.4 | 0 | 115.3 | F91 M97 L98 | F91-K95 HydrophobicContact CE1-CB 4.42Å; F91-K95 HydrophobicContact CE1-CD 4.34Å; F91-K95 HydrophobicContact CE1-CG 4.44Å; F91-K95 PolarHBondContact O-N 3.44Å; K95-M97 VanDerWaalsContact C-N 3.31Å; K95-M97 PolarHBondContact O-N 3.42Å; K95-L98 PolarHBondContact O-N 3.34Å |
| 96 | P | 80 | Confident | 81.6 | Confident | 99 Ų | 99 | 74 Ų | 74 | 64% | 0.643 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -67.1 | -29.9 | 178.9 | 25.9 | -35 | 0 | 0 | 0 | 113.5 | K93 | K93-P96 WeakPolarHBondContact O-CD 3.16Å |
| 97 | M | 84.1 | Confident | 82.6 | Confident | 103 Ų | 103 | 72.8 Ų | 72.8 | 51% | 0.507 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -79.4 | -26.7 | 179.7 | -164.6 | 179.2 | -162.3 | 0 | 0 | 112.2 | F77 W94 K95 K99 T100 F101 | F77-M97 HydrophobicContact CZ-CE 4.16Å; F77-M97 HydrophobicContact CZ-SD 4.27Å; W94-M97 HydrophobicContact CE3-CB 4.43Å; W94-M97 HydrophobicContact CE3-SD 3.89Å; W94-M97 HydrophobicContact CH2-SD 4.39Å; W94-M97 HydrophobicContact CZ3-SD 3.44Å; W94-M97 WeakPolarHBondContact CZ3-SD 3.37Å; W94-M97 WeakPolarHBondContact O-CB 3.34Å; W94-M97 PolarHBondContact O-N 3.21Å; K95-M97 VanDerWaalsContact C-N 3.31Å; K95-M97 PolarHBondContact O-N 3.42Å; M97-K99 PolarHBondContact O-N 3.31Å; M97-T100 PolarHBondContact O-N 2.87Å; M97-F101 PolarHBondContact O-N 3.31Å |
| 98 | L | 83.9 | Confident | 83.4 | Confident | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.3 | -41.8 | -172.2 | -153 | 99.8 | 0 | 0 | 0 | 113.4 | V81 W94 K95 T100 F101 L102 L283 D287 | V81-L98 HydrophobicContact CG1-CD1 3.21Å; W94-L98 PolarHBondContact O-N 3.05Å; K95-L98 PolarHBondContact O-N 3.34Å; L98-T100 VanDerWaalsContact C-N 3.33Å; L98-T100 PolarHBondContact O-N 2.94Å; L98-F101 PolarHBondContact O-N 3.33Å; L98-L102 HydrophobicContact CD2-CD1 4.06Å; L98-L102 HydrophobicContact CG-CD1 4.46Å; L98-L102 WeakPolarHBondContact O-CG 3.44Å; L98-L102 PolarHBondContact O-N 2.85Å; L98-L283 HydrophobicContact CD1-CD1 4.38Å; L98-D287 HydrophobicContact CD2-CB 3.23Å; L98-D287 WeakPolarHBondContact CD2-OD1 3.33Å |
| 99 | K | 83.2 | Confident | 84.6 | Confident | 133 Ų | 133 | 67.9 Ų | 67.9 | 58% | 0.578 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60.6 | -42.5 | 177 | -72.7 | -168 | 176 | -171.9 | 0 | 111.9 | M97 L102 V103 | M97-K99 PolarHBondContact O-N 3.31Å; K99-L102 PolarHBondContact O-N 3.13Å; K99-V103 WeakPolarHBondContact O-CG2 3.47Å; K99-V103 PolarHBondContact O-N 2.87Å; K99-V103 VanDerWaalsContact O-N 3.15Å |
| 100 | T | 87.1 | Confident | 85.7 | Confident | 103 Ų | 103 | 65.4 Ų | 65.4 | 63% | 0.632 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.1 | -42.1 | 176.1 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | M97 L98 V103 F104 | M97-T100 PolarHBondContact O-N 2.87Å; L98-T100 VanDerWaalsContact C-N 3.33Å; L98-T100 PolarHBondContact O-N 2.94Å; T100-V103 PolarHBondContact O-N 3.2Å; T100-F104 PolarHBondContact O-N 3.42Å |
| 101 | F | 89.9 | Confident | 86.5 | Confident | 19 Ų | 19 | 66.1 Ų | 66.1 | 8% | 0.083 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 176.1 | 180 | -114.5 | 0 | 0 | 0 | 112.3 | I74 F77 M97 L98 V103 F104 C105 L283 | I74-F101 HydrophobicContact CG2-CE2 4.14Å; I74-F101 HydrophobicContact CG2-CZ 4Å; F77-F101 AromaticContact CD1-CD2 3.81Å; F77-F101 HydrophobicContact CD1-CD2 3.81Å; F77-F101 HydrophobicContact CD1-CE1 4.34Å; F77-F101 AromaticContact CD1-CE2 3.47Å; F77-F101 HydrophobicContact CD1-CE2 3.47Å; F77-F101 VanDerWaalsContact CD1-CE2 3.47Å; F77-F101 HydrophobicContact CD1-CG 4.39Å; F77-F101 AromaticContact CD1-CZ 3.77Å; F77-F101 HydrophobicContact CD1-CZ 3.77Å; F77-F101 AromaticContact CE1-CD2 3.83Å; F77-F101 HydrophobicContact CE1-CD2 3.83Å; F77-F101 HydrophobicContact CE1-CE2 4Å; F77-F101 HydrophobicContact CE1-CG 4.18Å; F77-F101 HydrophobicContact CE1-CZ 4.48Å; M97-F101 PolarHBondContact O-N 3.31Å; L98-F101 PolarHBondContact O-N 3.33Å; F101-V103 PolarHBondContact O-N 3.48Å; F101-F104 WeakPolarHBondContact O-CB 3.4Å; F101-F104 PolarHBondContact O-N 3.41Å; F101-F104 VanDerWaalsContact O-N 3.13Å; F101-C105 VanDerWaalsContact CZ-SG 3.53Å; F101-C105 PolarHBondContact O-N 3.02Å; F101-C105 PolarHBondContact O-SG 3.07Å; F101-L283 HydrophobicContact CD1-CD2 3.62Å; F101-L283 HydrophobicContact CE1-CD2 3.56Å |
| 102 | L | 88.3 | Confident | 87.5 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 175.3 | -77.9 | 160.8 | 0 | 0 | 0 | 112.6 | L98 K99 F104 C105 M106 T280 L283 Q284 D287 | L98-L102 HydrophobicContact CD2-CD1 4.06Å; L98-L102 HydrophobicContact CG-CD1 4.46Å; L98-L102 WeakPolarHBondContact O-CG 3.44Å; L98-L102 PolarHBondContact O-N 2.85Å; K99-L102 PolarHBondContact O-N 3.13Å; L102-F104 VanDerWaalsContact C-N 3.32Å; L102-F104 PolarHBondContact O-N 3.44Å; L102-C105 PolarHBondContact O-N 3.27Å; L102-M106 HydrophobicContact CB-CE 4.4Å; L102-M106 WeakPolarHBondContact O-CG 3.46Å; L102-M106 PolarHBondContact O-N 3.32Å; L102-T280 HydrophobicContact CD2-CG2 4.31Å; L102-L283 HydrophobicContact CD2-CB 4.14Å; L102-L283 HydrophobicContact CD2-CD2 3.89Å; L102-L283 HydrophobicContact CD2-CG 4.03Å; L102-L283 HydrophobicContact CG-CD2 4.27Å; L102-Q284 VanDerWaalsContact CD1-OE1 3.27Å; L102-Q284 HydrophobicContact CD2-CB 4.33Å; L102-D287 HydrophobicContact CD1-CB 4.38Å |
| 103 | V | 88.4 | Confident | 88.6 | Confident | 98 Ų | 98 | 66.1 Ų | 66.1 | 59% | 0.594 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.6 | -41.6 | 173.2 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | K99 T100 F101 M106 G107 | K99-V103 WeakPolarHBondContact O-CG2 3.47Å; K99-V103 PolarHBondContact O-N 2.87Å; K99-V103 VanDerWaalsContact O-N 3.15Å; T100-V103 PolarHBondContact O-N 3.2Å; F101-V103 PolarHBondContact O-N 3.48Å; V103-M106 HydrophobicContact CG2-CE 4.35Å; V103-M106 PolarHBondContact O-N 3Å; V103-G107 PolarHBondContact O-N 3.28Å |
| 104 | F | 90.9 | Very high | 89.3 | Confident | 117 Ų | 117 | 59.9 Ų | 59.9 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 175.4 | -174.6 | -108.8 | 0 | 0 | 0 | 112.1 | I74 T100 F101 L102 M106 G107 F108 | I74-F104 HydrophobicContact CD1-CD1 3.92Å; I74-F104 HydrophobicContact CD1-CE1 3.36Å; I74-F104 HydrophobicContact CD1-CZ 4.18Å; I74-F104 HydrophobicContact CG1-CD1 4.19Å; I74-F104 HydrophobicContact CG1-CE1 3.61Å; T100-F104 PolarHBondContact O-N 3.42Å; F101-F104 WeakPolarHBondContact O-CB 3.4Å; F101-F104 PolarHBondContact O-N 3.41Å; F101-F104 VanDerWaalsContact O-N 3.13Å; L102-F104 VanDerWaalsContact C-N 3.32Å; L102-F104 PolarHBondContact O-N 3.44Å; F104-M106 VanDerWaalsContact C-N 3.33Å; F104-M106 PolarHBondContact O-N 3.28Å; F104-G107 PolarHBondContact O-N 3.39Å; F104-F108 WeakPolarHBondContact O-CB 3.47Å; F104-F108 PolarHBondContact O-N 2.94Å |
| 105 | C | 92.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.014 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60 | -40.7 | 174.7 | -67.2 | 0 | 0 | 0 | 0 | 112.1 | F101 L102 F108 N109 T280 | F101-C105 VanDerWaalsContact CZ-SG 3.53Å; F101-C105 PolarHBondContact O-N 3.02Å; F101-C105 PolarHBondContact O-SG 3.07Å; L102-C105 PolarHBondContact O-N 3.27Å; C105-F108 PolarHBondContact O-N 3.08Å; C105-N109 PolarHBondContact O-N 3.37Å; C105-N109 PolarHBondContact O-ND2 3.15Å; C105-T280 HydrophobicContact CB-CG2 3.91Å |
| 106 | M | 91.4 | Very high | 91.1 | Very high | 102 Ų | 102 | 53.6 Ų | 53.6 | 50% | 0.502 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 174.7 | -74.1 | -175.8 | -104.8 | 0 | 0 | 112.1 | L102 V103 F104 F108 N109 A110 T280 | L102-M106 HydrophobicContact CB-CE 4.4Å; L102-M106 WeakPolarHBondContact O-CG 3.46Å; L102-M106 PolarHBondContact O-N 3.32Å; V103-M106 HydrophobicContact CG2-CE 4.35Å; V103-M106 PolarHBondContact O-N 3Å; F104-M106 VanDerWaalsContact C-N 3.33Å; F104-M106 PolarHBondContact O-N 3.28Å; M106-F108 VanDerWaalsContact C-N 3.35Å; M106-N109 PolarHBondContact O-N 3.36Å; M106-A110 PolarHBondContact O-N 3.1Å; M106-A110 VanDerWaalsContact O-N 3.13Å; M106-T280 HydrophobicContact CG-CG2 4.46Å |
| 107 | G | 93.1 | Very high | 91.8 | Very high | 37 Ų | 37 | 53.6 Ų | 53.6 | 38% | 0.381 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V103 F104 A110 L111 | V103-G107 PolarHBondContact O-N 3.28Å; F104-G107 PolarHBondContact O-N 3.39Å; G107-A110 WeakPolarHBondContact O-CB 3.46Å; G107-A110 PolarHBondContact O-N 3.31Å; G107-L111 WeakPolarHBondContact O-CG 3.39Å; G107-L111 PolarHBondContact O-N 3.17Å |
| 108 | F | 94.9 | Very high | 92.3 | Very high | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 176.2 | 178.7 | -112.8 | 0 | 0 | 0 | 112.7 | M67 I70 A71 I74 F104 C105 M106 A110 L111 L112 E276 | M67-F108 HydrophobicContact CE-CD2 3.71Å; M67-F108 HydrophobicContact CE-CE2 3.28Å; M67-F108 HydrophobicContact CE-CZ 4.07Å; M67-F108 HydrophobicContact SD-CE2 4.26Å; I70-F108 HydrophobicContact CB-CD2 4.49Å; I70-F108 HydrophobicContact CB-CE2 3.9Å; I70-F108 HydrophobicContact CG2-CD2 3.58Å; I70-F108 HydrophobicContact CG2-CE2 3.42Å; I70-F108 VanDerWaalsContact CG2-CE2 3.42Å; I70-F108 HydrophobicContact CG2-CZ 4.27Å; A71-F108 HydrophobicContact CB-CE1 4.2Å; A71-F108 HydrophobicContact CB-CZ 3.71Å; I74-F108 HydrophobicContact CD1-CB 3.76Å; I74-F108 HydrophobicContact CD1-CD1 3.66Å; I74-F108 HydrophobicContact CD1-CD2 3.71Å; I74-F108 HydrophobicContact CD1-CE1 4.17Å; I74-F108 HydrophobicContact CD1-CE2 4.23Å; I74-F108 HydrophobicContact CD1-CG 3.41Å; I74-F108 VanDerWaalsContact CD1-CG 3.41Å; I74-F108 HydrophobicContact CD1-CZ 4.44Å; F104-F108 WeakPolarHBondContact O-CB 3.47Å; F104-F108 PolarHBondContact O-N 2.94Å; C105-F108 PolarHBondContact O-N 3.08Å; M106-F108 VanDerWaalsContact C-N 3.35Å; F108-A110 VanDerWaalsContact C-N 3.31Å; F108-A110 PolarHBondContact O-N 2.98Å; F108-L111 WeakPolarHBondContact O-CB 3.48Å; F108-L111 PolarHBondContact O-N 3.48Å; F108-L111 VanDerWaalsContact O-N 3.14Å; F108-L112 HydrophobicContact CD1-CD1 4.01Å; F108-L112 HydrophobicContact CD1-CG 4.5Å; F108-L112 HydrophobicContact CE1-CD1 3.41Å; F108-L112 VanDerWaalsContact CE1-CD1 3.41Å; F108-L112 HydrophobicContact CE1-CG 4.01Å; F108-L112 HydrophobicContact CE2-CD2 4.48Å; F108-L112 HydrophobicContact CE2-CG 4.23Å; F108-L112 HydrophobicContact CZ-CD1 3.69Å; F108-L112 HydrophobicContact CZ-CD2 4.05Å; F108-L112 HydrophobicContact CZ-CG 3.83Å; F108-L112 PolarHBondContact O-N 3.17Å; F108-E276 HydrophobicContact CE1-CG 4.43Å |
| 109 | N | 94.5 | Very high | 92.7 | Very high | 11 Ų | 11 | 51.4 Ų | 51.4 | 6% | 0.059 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.8 | -42.3 | 173.8 | -84.5 | -81 | 0 | 0 | 0 | 111.9 | C105 M106 L111 L112 I113 E276 V277 T280 | C105-N109 PolarHBondContact O-N 3.37Å; C105-N109 PolarHBondContact O-ND2 3.15Å; M106-N109 PolarHBondContact O-N 3.36Å; N109-L111 VanDerWaalsContact C-N 3.32Å; N109-L111 PolarHBondContact O-N 3.49Å; N109-L112 PolarHBondContact O-N 3.39Å; N109-I113 WeakPolarHBondContact O-CG1 3.48Å; N109-I113 PolarHBondContact O-N 3.48Å; N109-E276 VanDerWaalsContact OD1-C 3.28Å; N109-E276 WeakPolarHBondContact OD1-CB 3.45Å; N109-V277 HydrophobicContact CB-CG2 4.5Å; N109-V277 VanDerWaalsContact OD1-CG2 3.3Å; N109-V277 WeakPolarHBondContact OD1-CG2 2.82Å; N109-V277 PolarHBondContact OD1-N 3.02Å; N109-V277 VanDerWaalsContact OD1-N 3.11Å; N109-T280 PolarHBondContact ND2-OG1 3.39Å; N109-T280 VanDerWaalsContact ND2-OG1 3.16Å |
| 110 | A | 95.1 | Very high | 93.2 | Very high | 60 Ų | 60 | 48.7 Ų | 48.7 | 50% | 0.496 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M106 G107 F108 I113 A114 | M106-A110 PolarHBondContact O-N 3.1Å; M106-A110 VanDerWaalsContact O-N 3.13Å; G107-A110 WeakPolarHBondContact O-CB 3.46Å; G107-A110 PolarHBondContact O-N 3.31Å; F108-A110 VanDerWaalsContact C-N 3.31Å; F108-A110 PolarHBondContact O-N 2.98Å; A110-I113 PolarHBondContact O-N 3.32Å; A110-A114 PolarHBondContact O-N 3.19Å |
| 111 | L | 96.6 | Very high | 93.4 | Very high | 99 Ų | 99 | 48.1 Ų | 48.1 | 52% | 0.518 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.5 | -36.8 | 174.8 | -69 | 174 | 0 | 0 | 0 | 112.6 | M67 G107 F108 N109 A114 T115 | M67-L111 HydrophobicContact CE-CB 3.63Å; M67-L111 HydrophobicContact SD-CB 4.28Å; G107-L111 WeakPolarHBondContact O-CG 3.39Å; G107-L111 PolarHBondContact O-N 3.17Å; F108-L111 WeakPolarHBondContact O-CB 3.48Å; F108-L111 PolarHBondContact O-N 3.48Å; F108-L111 VanDerWaalsContact O-N 3.14Å; N109-L111 VanDerWaalsContact C-N 3.32Å; N109-L111 PolarHBondContact O-N 3.49Å; L111-A114 PolarHBondContact O-N 3.48Å; L111-T115 WeakPolarHBondContact O-CB 3.49Å; L111-T115 PolarHBondContact O-N 3.29Å; L111-T115 PolarHBondContact O-OG1 2.84Å |
| 112 | L | 95.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 174.2 | -77.4 | 176.8 | 0 | 0 | 0 | 111.9 | M67 F108 N109 A114 T115 A116 V269 T273 E276 | M67-L112 HydrophobicContact CB-CD2 4.19Å; M67-L112 HydrophobicContact CE-CB 4.4Å; M67-L112 HydrophobicContact CE-CD2 3.53Å; M67-L112 HydrophobicContact CE-CG 3.64Å; F108-L112 HydrophobicContact CD1-CD1 4.01Å; F108-L112 HydrophobicContact CD1-CG 4.5Å; F108-L112 HydrophobicContact CE1-CD1 3.41Å; F108-L112 VanDerWaalsContact CE1-CD1 3.41Å; F108-L112 HydrophobicContact CE1-CG 4.01Å; F108-L112 HydrophobicContact CE2-CD2 4.48Å; F108-L112 HydrophobicContact CE2-CG 4.23Å; F108-L112 HydrophobicContact CZ-CD1 3.69Å; F108-L112 HydrophobicContact CZ-CD2 4.05Å; F108-L112 HydrophobicContact CZ-CG 3.83Å; F108-L112 PolarHBondContact O-N 3.17Å; N109-L112 PolarHBondContact O-N 3.39Å; L112-A114 PolarHBondContact O-N 3.29Å; L112-T115 WeakPolarHBondContact O-CB 3.48Å; L112-T115 PolarHBondContact O-N 3.01Å; L112-A116 PolarHBondContact O-N 3.36Å; L112-V269 HydrophobicContact CD2-CG1 4.36Å; L112-T273 HydrophobicContact CB-CG2 4.3Å; L112-E276 HydrophobicContact CD1-CB 4.15Å; L112-E276 HydrophobicContact CD1-CG 3.67Å |
| 113 | I | 96 | Very high | 93.2 | Very high | 78 Ų | 78 | 53.8 Ų | 53.8 | 40% | 0.4 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.1 | -48.3 | 172.8 | -66.1 | 168.7 | 0 | 0 | 0 | 110.2 | N109 A110 T115 A116 L117 T273 | N109-I113 WeakPolarHBondContact O-CG1 3.48Å; N109-I113 PolarHBondContact O-N 3.48Å; A110-I113 PolarHBondContact O-N 3.32Å; I113-T115 VanDerWaalsContact C-N 3.3Å; I113-T115 PolarHBondContact O-N 3.19Å; I113-A116 PolarHBondContact O-N 3.36Å; I113-L117 HydrophobicContact CG2-CD1 4.1Å; I113-L117 HydrophobicContact CG2-CG 4.47Å; I113-L117 WeakPolarHBondContact O-CG 3.26Å; I113-L117 PolarHBondContact O-N 2.69Å; I113-T273 HydrophobicContact CD1-CG2 4.35Å; I113-T273 HydrophobicContact CG1-CG2 3.57Å |
| 114 | A | 96.3 | Very high | 93 | Very high | 45 Ų | 45 | 54.2 Ų | 54.2 | 37% | 0.372 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A110 L111 L112 L117 L118 | A110-A114 PolarHBondContact O-N 3.19Å; L111-A114 PolarHBondContact O-N 3.48Å; L112-A114 PolarHBondContact O-N 3.29Å; A114-L117 PolarHBondContact O-N 2.81Å; A114-L118 WeakPolarHBondContact O-CB 3.45Å; A114-L118 VanDerWaalsContact O-CG 3.27Å; A114-L118 WeakPolarHBondContact O-CG 3.46Å; A114-L118 PolarHBondContact O-N 2.83Å |
| 115 | T | 95.3 | Very high | 92.9 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 177.1 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | V63 L64 M67 L111 L112 I113 L118 C119 | V63-T115 HydrophobicContact CG1-CG2 3.91Å; L64-T115 HydrophobicContact CD2-CG2 3.88Å; M67-T115 HydrophobicContact CG-CG2 4.38Å; L111-T115 WeakPolarHBondContact O-CB 3.49Å; L111-T115 PolarHBondContact O-N 3.29Å; L111-T115 PolarHBondContact O-OG1 2.84Å; L112-T115 WeakPolarHBondContact O-CB 3.48Å; L112-T115 PolarHBondContact O-N 3.01Å; I113-T115 VanDerWaalsContact C-N 3.3Å; I113-T115 PolarHBondContact O-N 3.19Å; T115-L118 WeakPolarHBondContact O-CB 3.41Å; T115-L118 PolarHBondContact O-N 2.93Å; T115-C119 PolarHBondContact O-N 3.38Å; T115-C119 PolarHBondContact O-SG 2.96Å; T115-C119 VanDerWaalsContact O-SG 3.36Å |
| 116 | A | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | L112 I113 L118 C119 F120 V269 L270 | L112-A116 PolarHBondContact O-N 3.36Å; I113-A116 PolarHBondContact O-N 3.36Å; A116-L118 VanDerWaalsContact C-N 3.32Å; A116-L118 PolarHBondContact O-N 3.14Å; A116-C119 WeakPolarHBondContact O-CB 3.43Å; A116-C119 PolarHBondContact O-N 3.42Å; A116-F120 WeakPolarHBondContact O-CD2 3.32Å; A116-F120 WeakPolarHBondContact O-CE2 3.33Å; A116-F120 PolarHBondContact O-N 2.92Å; A116-V269 HydrophobicContact CB-CB 4.35Å; A116-V269 HydrophobicContact CB-CG1 3.98Å; A116-L270 HydrophobicContact CB-CD2 3.5Å; A116-L270 VanDerWaalsContact CB-CD2 3.5Å; A116-L270 HydrophobicContact CB-CG 3.75Å |
| 117 | L | 94.9 | Very high | 92.5 | Very high | 99 Ų | 99 | 49.7 Ų | 49.7 | 52% | 0.518 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 175.7 | -69.1 | 173.6 | 0 | 0 | 0 | 111.6 | I113 A114 C119 F120 V121 | I113-L117 HydrophobicContact CG2-CD1 4.1Å; I113-L117 HydrophobicContact CG2-CG 4.47Å; I113-L117 WeakPolarHBondContact O-CG 3.26Å; I113-L117 PolarHBondContact O-N 2.69Å; A114-L117 PolarHBondContact O-N 2.81Å; L117-C119 VanDerWaalsContact C-N 3.3Å; L117-C119 PolarHBondContact O-N 3.38Å; L117-F120 PolarHBondContact O-N 2.81Å; L117-F120 VanDerWaalsContact O-N 3.11Å; L117-V121 WeakPolarHBondContact O-CG2 3.41Å; L117-V121 PolarHBondContact O-N 3.49Å |
| 118 | L | 93.8 | Very high | 92.3 | Very high | 58 Ų | 58 | 54.3 Ų | 54.3 | 30% | 0.304 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.6 | -41.7 | 174.5 | -73.5 | 170.3 | 0 | 0 | 0 | 111.4 | F59 L60 A114 T115 A116 F120 V121 M122 | F59-L118 HydrophobicContact CE1-CD1 4.38Å; L60-L118 HydrophobicContact CD1-CB 4.26Å; A114-L118 WeakPolarHBondContact O-CB 3.45Å; A114-L118 VanDerWaalsContact O-CG 3.27Å; A114-L118 WeakPolarHBondContact O-CG 3.46Å; A114-L118 PolarHBondContact O-N 2.83Å; T115-L118 WeakPolarHBondContact O-CB 3.41Å; T115-L118 PolarHBondContact O-N 2.93Å; A116-L118 VanDerWaalsContact C-N 3.32Å; A116-L118 PolarHBondContact O-N 3.14Å; L118-F120 PolarHBondContact O-N 2.67Å; L118-V121 PolarHBondContact O-N 3.48Å; L118-M122 HydrophobicContact CB-CG 4.44Å; L118-M122 WeakPolarHBondContact O-CB 3.22Å; L118-M122 WeakPolarHBondContact O-CG 3.34Å; L118-M122 PolarHBondContact O-N 3.39Å |
| 119 | C | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55 | -36.4 | 175.8 | -67.5 | 0 | 0 | 0 | 0 | 113 | T115 A116 L117 G266 | T115-C119 PolarHBondContact O-N 3.38Å; T115-C119 PolarHBondContact O-SG 2.96Å; T115-C119 VanDerWaalsContact O-SG 3.36Å; A116-C119 WeakPolarHBondContact O-CB 3.43Å; A116-C119 PolarHBondContact O-N 3.42Å; L117-C119 VanDerWaalsContact C-N 3.3Å; L117-C119 PolarHBondContact O-N 3.38Å; C119-G266 VanDerWaalsContact CB-CA 3.5Å |
| 120 | F | 92.3 | Very high | 91.7 | Very high | 76 Ų | 76 | 54.5 Ų | 54.5 | 33% | 0.333 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -83 | -37.5 | 179.2 | -60.6 | -64.9 | 0 | 0 | 0 | 113.2 | A116 L117 L118 N263 G266 L270 | A116-F120 WeakPolarHBondContact O-CD2 3.32Å; A116-F120 WeakPolarHBondContact O-CE2 3.33Å; A116-F120 PolarHBondContact O-N 2.92Å; L117-F120 PolarHBondContact O-N 2.81Å; L117-F120 VanDerWaalsContact O-N 3.11Å; L118-F120 PolarHBondContact O-N 2.67Å; F120-N263 HydrophobicContact CE1-CB 4.4Å; F120-G266 VanDerWaalsContact CZ-C 3.49Å; F120-L270 HydrophobicContact CE2-CD1 3.74Å; F120-L270 HydrophobicContact CE2-CG 4.3Å; F120-L270 HydrophobicContact CZ-CD1 4.07Å |
| 121 | V | 91.6 | Very high | 91.6 | Very high | 91 Ų | 91 | 52.5 Ų | 52.5 | 55% | 0.552 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -80.5 | -30.4 | -174.7 | 176.9 | 0 | 0 | 0 | 0 | 112.4 | L117 L118 R123 I124 | L117-V121 WeakPolarHBondContact O-CG2 3.41Å; L117-V121 PolarHBondContact O-N 3.49Å; L118-V121 PolarHBondContact O-N 3.48Å; V121-R123 PolarHBondContact O-N 2.92Å; V121-I124 PolarHBondContact O-N 3.14Å |
| 122 | M | 87.9 | Confident | 91.3 | Very high | 35 Ų | 35 | 53.9 Ų | 53.9 | 17% | 0.172 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -10.1 | -177 | -75.8 | -62.3 | -66.7 | 0 | 0 | 114.3 | L60 L118 I124 P125 F126 M262 | L60-M122 HydrophobicContact CD2-CB 4.2Å; L60-M122 HydrophobicContact CD2-CG 4.33Å; L118-M122 HydrophobicContact CB-CG 4.44Å; L118-M122 WeakPolarHBondContact O-CB 3.22Å; L118-M122 WeakPolarHBondContact O-CG 3.34Å; L118-M122 PolarHBondContact O-N 3.39Å; M122-I124 VanDerWaalsContact C-N 3.28Å; M122-I124 PolarHBondContact O-N 3.41Å; M122-P125 HydrophobicContact CE-CG 4.16Å; M122-P125 WeakPolarHBondContact O-CD 3.47Å; M122-P125 WeakPolarHBondContact O-CG 3.47Å; M122-P125 HydrophobicContact SD-CG 3.99Å; M122-F126 WeakPolarHBondContact O-CB 3.37Å; M122-F126 PolarHBondContact O-N 2.83Å; M122-F126 VanDerWaalsContact O-N 3.17Å; M122-M262 HydrophobicContact CB-SD 4.4Å |
| 123 | R | 86.2 | Confident | 91 | Very high | 108 Ų | 108 | 54.5 Ų | 54.5 | 41% | 0.408 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.2 | -37.8 | 173.9 | -174 | 176.1 | -179.8 | 172.5 | 1.2 | 113.1 | V121 Q127 L255 | V121-R123 PolarHBondContact O-N 2.92Å; R123-Q127 PolarHBondContact O-N 3.11Å; R123-Q127 VanDerWaalsContact O-N 3.13Å; R123-L255 HydrophobicContact CG-CD1 3.75Å; R123-L255 HydrophobicContact CG-CG 4.43Å |
| 124 | I | 85.6 | Confident | 90.9 | Very high | 107 Ų | 107 | 50.8 Ų | 50.8 | 55% | 0.549 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.2 | -58.6 | -177.1 | -60.1 | 171.9 | 0 | 0 | 0 | 111.6 | V121 M122 F126 Q127 F128 | V121-I124 PolarHBondContact O-N 3.14Å; M122-I124 VanDerWaalsContact C-N 3.28Å; M122-I124 PolarHBondContact O-N 3.41Å; I124-F126 PolarHBondContact O-N 3.34Å; I124-Q127 WeakPolarHBondContact O-CB 3.34Å; I124-Q127 PolarHBondContact O-N 3.11Å; I124-Q127 VanDerWaalsContact O-N 3.12Å; I124-F128 HydrophobicContact CG2-CD2 4.42Å; I124-F128 HydrophobicContact CG2-CE2 3.85Å; I124-F128 VanDerWaalsContact O-CD2 3.27Å; I124-F128 WeakPolarHBondContact O-CD2 3.5Å |
| 125 | P | 87.4 | Confident | 90.7 | Very high | 45 Ų | 45 | 55.2 Ų | 55.2 | 29% | 0.292 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.8 | -36.5 | 178.1 | 22.9 | -33.2 | 0 | 0 | 0 | 111.5 | M122 Q127 F128 T129 | M122-P125 HydrophobicContact CE-CG 4.16Å; M122-P125 WeakPolarHBondContact O-CD 3.47Å; M122-P125 WeakPolarHBondContact O-CG 3.47Å; M122-P125 HydrophobicContact SD-CG 3.99Å; P125-Q127 VanDerWaalsContact C-N 3.29Å; P125-Q127 PolarHBondContact O-N 3.19Å; P125-F128 PolarHBondContact O-N 3.4Å; P125-F128 VanDerWaalsContact O-N 3.09Å; P125-T129 PolarHBondContact O-N 3.32Å; P125-T129 PolarHBondContact O-OG1 3.18Å |
| 126 | F | 86.6 | Confident | 90.5 | Very high | 9 Ų | 9 | 58.3 Ų | 58.3 | 4% | 0.039 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.3 | -37.2 | 177.1 | -173.6 | -106.4 | 0 | 0 | 0 | 113.2 | L45 M52 M122 I124 F128 L130 L255 Y258 M262 | L45-F126 HydrophobicContact CD2-CE2 4.18Å; L45-F126 HydrophobicContact CD2-CZ 4.41Å; M52-F126 HydrophobicContact SD-CE2 3.98Å; M52-F126 HydrophobicContact SD-CZ 3.88Å; M122-F126 WeakPolarHBondContact O-CB 3.37Å; M122-F126 PolarHBondContact O-N 2.83Å; M122-F126 VanDerWaalsContact O-N 3.17Å; I124-F126 PolarHBondContact O-N 3.34Å; F126-F128 VanDerWaalsContact C-N 3.33Å; F126-F128 PolarHBondContact O-N 2.97Å; F126-L130 HydrophobicContact CE1-CD2 4.35Å; F126-L130 WeakPolarHBondContact O-CB 3.02Å; F126-L130 PolarHBondContact O-N 3.27Å; F126-L255 HydrophobicContact CD1-CD1 3.77Å; F126-L255 HydrophobicContact CE1-CD1 4.48Å; F126-Y258 HydrophobicContact CE1-CD2 4.04Å; F126-Y258 HydrophobicContact CE1-CG 4.17Å; F126-Y258 AromaticContact CZ-CD2 3.71Å; F126-Y258 HydrophobicContact CZ-CD2 3.71Å; F126-Y258 AromaticContact CZ-CG 3.9Å; F126-Y258 HydrophobicContact CZ-CG 3.9Å; F126-M262 HydrophobicContact CB-CE 4.36Å; F126-M262 HydrophobicContact CD1-CE 4.35Å; F126-M262 HydrophobicContact CD2-CE 4.01Å; F126-M262 HydrophobicContact CE2-CE 4.41Å; F126-M262 HydrophobicContact CG-CE 3.98Å |
| 127 | Q | 89 | Confident | 90.3 | Very high | 71 Ų | 71 | 58.4 Ų | 58.4 | 33% | 0.332 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 175.3 | 177.5 | 179.9 | -25.9 | 0 | 0 | 112.2 | R123 I124 P125 A131 L255 | R123-Q127 PolarHBondContact O-N 3.11Å; R123-Q127 VanDerWaalsContact O-N 3.13Å; I124-Q127 WeakPolarHBondContact O-CB 3.34Å; I124-Q127 PolarHBondContact O-N 3.11Å; I124-Q127 VanDerWaalsContact O-N 3.12Å; P125-Q127 VanDerWaalsContact C-N 3.29Å; P125-Q127 PolarHBondContact O-N 3.19Å; Q127-A131 WeakPolarHBondContact O-CB 3.45Å; Q127-A131 PolarHBondContact O-N 3.45Å; Q127-L255 HydrophobicContact CB-CD1 4.05Å; Q127-L255 HydrophobicContact CB-CD2 3.91Å; Q127-L255 HydrophobicContact CG-CD2 3.9Å |
| 128 | F | 88.8 | Confident | 90.2 | Very high | 135 Ų | 135 | 53.8 Ų | 53.8 | 59% | 0.592 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -70.1 | -46.7 | 180 | -67 | -72.7 | 0 | 0 | 0 | 111.5 | I124 P125 F126 L130 A131 E132 | I124-F128 HydrophobicContact CG2-CD2 4.42Å; I124-F128 HydrophobicContact CG2-CE2 3.85Å; I124-F128 VanDerWaalsContact O-CD2 3.27Å; I124-F128 WeakPolarHBondContact O-CD2 3.5Å; P125-F128 PolarHBondContact O-N 3.4Å; P125-F128 VanDerWaalsContact O-N 3.09Å; F126-F128 VanDerWaalsContact C-N 3.33Å; F126-F128 PolarHBondContact O-N 2.97Å; F128-L130 PolarHBondContact O-N 3.46Å; F128-A131 PolarHBondContact O-N 3.27Å; F128-E132 PolarHBondContact O-N 3.39Å |
| 129 | T | 88.5 | Confident | 90.1 | Very high | 19 Ų | 19 | 57 Ų | 57 | 12% | 0.117 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.6 | -42.4 | 174.9 | -50.3 | 0 | 0 | 0 | 0 | 111.1 | N54 P125 G133 | N54-T129 HydrophobicContact CB-CG2 3.97Å; P125-T129 PolarHBondContact O-N 3.32Å; P125-T129 PolarHBondContact O-OG1 3.18Å; T129-G133 PolarHBondContact O-N 2.95Å |
| 130 | L | 89.4 | Confident | 90 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.3 | -41.1 | 179.6 | -178.6 | 64.4 | 0 | 0 | 0 | 112.5 | M52 F126 F128 E132 G133 L134 R251 L254 L255 | M52-L130 HydrophobicContact CG-CD1 4.36Å; M52-L130 HydrophobicContact SD-CD1 4.28Å; F126-L130 HydrophobicContact CE1-CD2 4.35Å; F126-L130 WeakPolarHBondContact O-CB 3.02Å; F126-L130 PolarHBondContact O-N 3.27Å; F128-L130 PolarHBondContact O-N 3.46Å; L130-E132 VanDerWaalsContact C-N 3.32Å; L130-E132 PolarHBondContact O-N 3.36Å; L130-G133 PolarHBondContact O-N 3.02Å; L130-L134 HydrophobicContact CD1-CD1 3.96Å; L130-L134 HydrophobicContact CD1-CG 4.06Å; L130-L134 HydrophobicContact CG-CD1 3.94Å; L130-L134 HydrophobicContact CG-CG 4.44Å; L130-L134 WeakPolarHBondContact O-CB 3.49Å; L130-L134 WeakPolarHBondContact O-CG 3.32Å; L130-L134 PolarHBondContact O-N 3.27Å; L130-R251 HydrophobicContact CD2-CG 4.2Å; L130-R251 WeakPolarHBondContact CD2-O 3.41Å; L130-R251 HydrophobicContact CG-CG 4.39Å; L130-L254 HydrophobicContact CD1-CB 4.2Å; L130-L254 HydrophobicContact CD1-CD1 3.64Å; L130-L254 HydrophobicContact CD2-CB 3.62Å; L130-L255 HydrophobicContact CD2-CB 4.29Å |
| 131 | A | 91.3 | Very high | 90 | Very high | 18 Ų | 18 | 56 Ų | 56 | 15% | 0.149 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q127 F128 K135 N168 | Q127-A131 WeakPolarHBondContact O-CB 3.45Å; Q127-A131 PolarHBondContact O-N 3.45Å; F128-A131 PolarHBondContact O-N 3.27Å; A131-K135 WeakPolarHBondContact O-CB 3.45Å; A131-K135 PolarHBondContact O-N 2.86Å; A131-K135 VanDerWaalsContact O-N 3.14Å; A131-N168 PolarHBondContact O-ND2 3.03Å |
| 132 | E | 90.6 | Very high | 90 | Very high | 129 Ų | 129 | 53.7 Ų | 53.7 | 60% | 0.603 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -70.9 | -45 | 178.7 | -175.9 | 170.6 | -167.7 | 0 | 0 | 111.7 | F128 L130 L134 K135 N136 | F128-E132 PolarHBondContact O-N 3.39Å; L130-E132 VanDerWaalsContact C-N 3.32Å; L130-E132 PolarHBondContact O-N 3.36Å; E132-L134 PolarHBondContact O-N 3.23Å; E132-K135 PolarHBondContact O-N 2.78Å; E132-N136 WeakPolarHBondContact O-CB 3.4Å; E132-N136 PolarHBondContact O-N 2.9Å; E132-N136 PolarHBondContact O-ND2 3.4Å |
| 133 | G | 90.2 | Very high | 90 | Very high | 14 Ų | 14 | 54 Ų | 54 | 14% | 0.144 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.1 | -46.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L51 T129 L130 N136 G137 | L51-G133 CarbonylContact O-C 3.51Å; L51-G133 WeakPolarHBondContact O-CA 3.47Å; T129-G133 PolarHBondContact O-N 2.95Å; L130-G133 PolarHBondContact O-N 3.02Å; G133-N136 PolarHBondContact O-N 3.19Å; G133-G137 PolarHBondContact O-N 2.99Å |
| 134 | L | 93.1 | Very high | 90 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.8 | -43.1 | 175.6 | -75.2 | 170.7 | 0 | 0 | 0 | 112.2 | L130 E132 N136 G137 M138 L156 M159 N168 C250 R251 L254 | L130-L134 HydrophobicContact CD1-CD1 3.96Å; L130-L134 HydrophobicContact CD1-CG 4.06Å; L130-L134 HydrophobicContact CG-CD1 3.94Å; L130-L134 HydrophobicContact CG-CG 4.44Å; L130-L134 WeakPolarHBondContact O-CB 3.49Å; L130-L134 WeakPolarHBondContact O-CG 3.32Å; L130-L134 PolarHBondContact O-N 3.27Å; E132-L134 PolarHBondContact O-N 3.23Å; L134-N136 VanDerWaalsContact C-N 3.33Å; L134-N136 PolarHBondContact O-N 3.49Å; L134-G137 PolarHBondContact O-N 2.96Å; L134-M138 WeakPolarHBondContact O-CB 3.27Å; L134-M138 VanDerWaalsContact O-CG 3.29Å; L134-M138 WeakPolarHBondContact O-CG 3.5Å; L134-M138 PolarHBondContact O-N 3.41Å; L134-L156 HydrophobicContact CD2-CD1 4.1Å; L134-M159 HydrophobicContact CD2-CE 4.07Å; L134-M159 HydrophobicContact CD2-SD 3.67Å; L134-N168 HydrophobicContact CB-CB 4.4Å; L134-C250 HydrophobicContact CD1-CB 4.09Å; L134-C250 HydrophobicContact CD2-CB 4.36Å; L134-R251 HydrophobicContact CD1-CB 3.98Å; L134-L254 HydrophobicContact CD1-CD1 4.48Å; L134-L254 HydrophobicContact CD2-CD1 4.4Å |
| 135 | K | 93 | Very high | 89.8 | Confident | 138 Ų | 138 | 49.8 Ų | 49.8 | 60% | 0.6 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.1 | -44.5 | 177.5 | -173.6 | 174.5 | -177.7 | 173.8 | 0 | 111.5 | A131 E132 K139 | A131-K135 WeakPolarHBondContact O-CB 3.45Å; A131-K135 PolarHBondContact O-N 2.86Å; A131-K135 VanDerWaalsContact O-N 3.14Å; E132-K135 PolarHBondContact O-N 2.78Å; K135-K139 PolarHBondContact O-N 3.34Å; K135-K139 VanDerWaalsContact O-N 3.11Å |
| 136 | N | 90.5 | Very high | 89.5 | Confident | 70 Ų | 70 | 50.1 Ų | 50.1 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.7 | -41.6 | 176.3 | -73.3 | -28.8 | 0 | 0 | 0 | 111.9 | E132 G133 L134 M138 K139 F140 | E132-N136 WeakPolarHBondContact O-CB 3.4Å; E132-N136 PolarHBondContact O-N 2.9Å; E132-N136 PolarHBondContact O-ND2 3.4Å; G133-N136 PolarHBondContact O-N 3.19Å; L134-N136 VanDerWaalsContact C-N 3.33Å; L134-N136 PolarHBondContact O-N 3.49Å; N136-M138 PolarHBondContact O-N 3.39Å; N136-K139 WeakPolarHBondContact O-CB 3.36Å; N136-K139 PolarHBondContact O-N 3.14Å; N136-F140 WeakPolarHBondContact O-CD2 3.46Å; N136-F140 PolarHBondContact O-N 3.36Å; N136-F140 VanDerWaalsContact O-N 3.14Å |
| 137 | G | 91.3 | Very high | 89.2 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G133 L134 F140 Y141 M152 | G133-G137 PolarHBondContact O-N 2.99Å; L134-G137 PolarHBondContact O-N 2.96Å; G137-F140 PolarHBondContact O-N 2.89Å; G137-Y141 PolarHBondContact O-N 2.85Å; G137-Y141 VanDerWaalsContact O-N 3.09Å; G137-M152 WeakPolarHBondContact CA-SD 3.43Å; G137-M152 WeakPolarHBondContact O-CG 3.44Å |
| 138 | M | 93.7 | Very high | 88.7 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.015 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.1 | -41 | 174 | -72.5 | 175.7 | 72.5 | 0 | 0 | 112.3 | L134 N136 F140 Y141 L156 N168 D173 W174 I177 | L134-M138 WeakPolarHBondContact O-CB 3.27Å; L134-M138 VanDerWaalsContact O-CG 3.29Å; L134-M138 WeakPolarHBondContact O-CG 3.5Å; L134-M138 PolarHBondContact O-N 3.41Å; N136-M138 PolarHBondContact O-N 3.39Å; M138-F140 VanDerWaalsContact C-N 3.29Å; M138-F140 PolarHBondContact O-N 2.78Å; M138-Y141 WeakPolarHBondContact O-CB 3.4Å; M138-Y141 PolarHBondContact O-N 2.92Å; M138-L156 HydrophobicContact CG-CD2 3.92Å; M138-N168 HydrophobicContact SD-CB 4.15Å; M138-D173 HydrophobicContact CE-CB 3.74Å; M138-W174 HydrophobicContact CB-CH2 4.26Å; M138-W174 HydrophobicContact CB-CZ3 4.21Å; M138-W174 HydrophobicContact CE-CD2 3.47Å; M138-W174 VanDerWaalsContact CE-CD2 3.47Å; M138-W174 HydrophobicContact CE-CE3 3.75Å; M138-W174 HydrophobicContact CE-CG 3.91Å; M138-W174 HydrophobicContact CE-CH2 4.29Å; M138-W174 HydrophobicContact CE-CZ2 4.06Å; M138-W174 HydrophobicContact CE-CZ3 4.14Å; M138-W174 HydrophobicContact CG-CH2 3.94Å; M138-W174 HydrophobicContact CG-CZ2 4.12Å; M138-W174 HydrophobicContact CG-CZ3 4.29Å; M138-I177 HydrophobicContact CB-CD1 3.7Å; M138-I177 HydrophobicContact CE-CD1 3.91Å |
| 139 | K | 91.4 | Very high | 88.3 | Confident | 126 Ų | 126 | 54.8 Ų | 54.8 | 55% | 0.548 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.3 | -38.5 | 177.9 | -175.6 | 177.4 | -179.8 | 176.5 | 0 | 112.5 | K135 N136 | K135-K139 PolarHBondContact O-N 3.34Å; K135-K139 VanDerWaalsContact O-N 3.11Å; N136-K139 WeakPolarHBondContact O-CB 3.36Å; N136-K139 PolarHBondContact O-N 3.14Å |
| 140 | F | 91.3 | Very high | 88.2 | Confident | 50 Ų | 50 | 56.6 Ų | 56.6 | 22% | 0.219 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 8.7 | -179.6 | -57.4 | -47.9 | 0 | 0 | 0 | 113.7 | N136 G137 M138 K142 D143 M152 | N136-F140 WeakPolarHBondContact O-CD2 3.46Å; N136-F140 PolarHBondContact O-N 3.36Å; N136-F140 VanDerWaalsContact O-N 3.14Å; G137-F140 PolarHBondContact O-N 2.89Å; M138-F140 VanDerWaalsContact C-N 3.29Å; M138-F140 PolarHBondContact O-N 2.78Å; F140-K142 PolarHBondContact O-N 2.94Å; F140-D143 VanDerWaalsContact CD1-OD2 3.28Å; F140-D143 WeakPolarHBondContact CD1-OD2 3.45Å; F140-D143 PolarHBondContact O-N 3.22Å; F140-D143 VanDerWaalsContact O-N 3.08Å; F140-M152 HydrophobicContact CB-CG 4.43Å |
| 141 | Y | 92.8 | Very high | 88.1 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 1% | 0.012 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -35.4 | 179.2 | -178.3 | -95.1 | 0 | 0 | 0 | 113.2 | G137 M138 D143 K153 L156 D157 W174 W179 P210 | G137-Y141 PolarHBondContact O-N 2.85Å; G137-Y141 VanDerWaalsContact O-N 3.09Å; M138-Y141 WeakPolarHBondContact O-CB 3.4Å; M138-Y141 PolarHBondContact O-N 2.92Å; Y141-D143 VanDerWaalsContact C-N 3.34Å; Y141-K153 HydrophobicContact CD2-CB 4.31Å; Y141-K153 HydrophobicContact CD2-CG 4.28Å; Y141-K153 HydrophobicContact CE1-CD 4.46Å; Y141-K153 HydrophobicContact CE1-CG 4.22Å; Y141-K153 HydrophobicContact CE2-CB 4.22Å; Y141-K153 HydrophobicContact CE2-CG 3.75Å; Y141-K153 VanDerWaalsContact CZ-NZ 3.26Å; Y141-K153 PolarHBondContact OH-NZ 3Å; Y141-L156 HydrophobicContact CD2-CB 4.12Å; Y141-L156 HydrophobicContact CD2-CD2 3.54Å; Y141-L156 HydrophobicContact CD2-CG 4.46Å; Y141-L156 HydrophobicContact CE2-CB 4.29Å; Y141-L156 HydrophobicContact CE2-CD2 4.03Å; Y141-L156 HydrophobicContact CG-CD2 4.43Å; Y141-D157 VanDerWaalsContact CE2-OD1 3.24Å; Y141-D157 WeakPolarHBondContact CE2-OD1 3.31Å; Y141-D157 VanDerWaalsContact CZ-OD1 3.32Å; Y141-D157 VanDerWaalsContact OH-CG 3.24Å; Y141-D157 PolarHBondContact OH-OD1 3.17Å; Y141-D157 PolarHBondContact OH-OD2 2.91Å; Y141-W174 HydrophobicContact CD1-CH2 4.16Å; Y141-W174 HydrophobicContact CD1-CZ3 4.15Å; Y141-W174 AromaticContact CD2-CH2 3.75Å; Y141-W174 HydrophobicContact CD2-CH2 3.75Å; Y141-W174 HydrophobicContact CD2-CZ3 4.47Å; Y141-W174 HydrophobicContact CE2-CH2 4.13Å; Y141-W174 AromaticContact CG-CH2 3.74Å; Y141-W174 HydrophobicContact CG-CH2 3.74Å; Y141-W174 HydrophobicContact CG-CZ3 4Å; Y141-W179 HydrophobicContact CD1-CB 3.91Å; Y141-W179 HydrophobicContact CD1-CE3 4.41Å; Y141-W179 AromaticContact CE1-CE3 3.95Å; Y141-W179 HydrophobicContact CE1-CE3 3.95Å; Y141-P210 HydrophobicContact CE1-CB 4.27Å; Y141-P210 HydrophobicContact CE1-CG 4Å; Y141-P210 WeakPolarHBondContact OH-CB 3.3Å |
| 142 | K | 91.3 | Very high | 88 | Confident | 44 Ų | 44 | 63.5 Ų | 63.5 | 19% | 0.191 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -16 | 179.1 | 62.9 | 165.9 | 170.8 | -163.2 | 0 | 114.6 | F140 T144 Q178 W179 S181 | F140-K142 PolarHBondContact O-N 2.94Å; K142-T144 PolarHBondContact O-N 3.4Å; K142-Q178 VanDerWaalsContact CD-O 3.24Å; K142-Q178 WeakPolarHBondContact CD-O 3.45Å; K142-W179 WeakPolarHBondContact CB-O 3.35Å; K142-S181 WeakPolarHBondContact O-CB 3.09Å |
| 143 | D | 88.5 | Confident | 88.1 | Confident | 40 Ų | 40 | 61 Ų | 61 | 21% | 0.214 | 33% | 0.325 | C | S | . | . | trans | -87 | 44.1 | -167 | -66.3 | -21.8 | 0 | 0 | 0 | 112.8 | F140 Y141 D145 T146 R149 | F140-D143 VanDerWaalsContact CD1-OD2 3.28Å; F140-D143 WeakPolarHBondContact CD1-OD2 3.45Å; F140-D143 PolarHBondContact O-N 3.22Å; F140-D143 VanDerWaalsContact O-N 3.08Å; Y141-D143 VanDerWaalsContact C-N 3.34Å; D143-D145 PolarHBondContact O-N 3.4Å; D143-T146 HydrophobicContact CB-CG2 4.01Å; D143-T146 WeakPolarHBondContact CB-OG1 3.38Å; D143-T146 PolarHBondContact O-N 3.32Å; D143-T146 VanDerWaalsContact O-N 3.17Å; D143-T146 PolarHBondContact O-OG1 3.42Å; D143-R149 IonicContact OD2-NH1 3.26Å | ||
| 144 | T | 84.9 | Confident | 88.1 | Confident | 33 Ų | 33 | 68.2 Ų | 68.2 | 20% | 0.202 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -24 | -176 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | K142 C150 K153 | K142-T144 PolarHBondContact O-N 3.4Å; T144-C150 WeakPolarHBondContact O-CA 3.44Å; T144-C150 WeakPolarHBondContact O-CB 3.47Å; T144-C150 PolarHBondContact O-SG 3.41Å; T144-K153 HydrophobicContact CG2-CB 3.71Å; T144-K153 HydrophobicContact CG2-CD 3.69Å; T144-K153 HydrophobicContact CG2-CG 4.34Å |
| 145 | D | 81.8 | Confident | 88.1 | Confident | 94 Ų | 94 | 69.3 Ų | 69.3 | 50% | 0.503 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -1.3 | -178.6 | -65.1 | -35.2 | 0 | 0 | 0 | 112.6 | D143 R183 | D143-D145 PolarHBondContact O-N 3.4Å; D145-R183 IonicContact OD1-NH1 3.13Å; D145-R183 PolarHBondContact OD1-NH1 3.25Å; D145-R183 WeakPolarHBondContact OD2-CD 3.43Å; D145-R183 IonicContact OD2-NH1 3.36Å; D145-R183 PolarHBondContact OD2-NH1 3.42Å; D145-R183 VanDerWaalsContact OD2-NH1 3.13Å |
| 146 | T | 80.8 | Confident | 88.1 | Confident | 52 Ų | 52 | 62.8 Ų | 62.8 | 32% | 0.319 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -90.2 | 125.8 | -179.9 | 63.7 | 0 | 0 | 0 | 0 | 111.8 | D143 G148 R149 C150 | D143-T146 HydrophobicContact CB-CG2 4.01Å; D143-T146 WeakPolarHBondContact CB-OG1 3.38Å; D143-T146 PolarHBondContact O-N 3.32Å; D143-T146 VanDerWaalsContact O-N 3.17Å; D143-T146 PolarHBondContact O-OG1 3.42Å; T146-G148 PolarHBondContact O-N 2.99Å; T146-R149 PolarHBondContact O-N 3.26Å; T146-R149 WeakPolarHBondContact OG1-CB 3.34Å; T146-C150 PolarHBondContact O-SG 3.3Å |
| 147 | P | 81 | Confident | 88.3 | Confident | 128 Ų | 128 | 60.9 Ų | 60.9 | 83% | 0.831 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 130 | 176.3 | -26.4 | 34.3 | 0 | 0 | 0 | 111.6 | ||
| 148 | G | 78 | Confident | 88.5 | Confident | 83 Ų | 83 | 65 Ų | 65 | 86% | 0.856 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.2 | -9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | T146 | T146-G148 PolarHBondContact O-N 2.99Š|
| 149 | R | 81.4 | Confident | 88.5 | Confident | 103 Ų | 103 | 64.8 Ų | 64.8 | 39% | 0.389 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | 5.2 | 178 | -55.3 | 178.5 | 177.8 | 174.8 | -3 | 114.6 | D143 T146 Y151 M152 | D143-R149 IonicContact OD2-NH1 3.26Å; T146-R149 PolarHBondContact O-N 3.26Å; T146-R149 WeakPolarHBondContact OG1-CB 3.34Å; R149-Y151 PolarHBondContact O-N 2.92Å; R149-M152 WeakPolarHBondContact O-CB 3.47Å; R149-M152 PolarHBondContact O-N 3.44Å |
| 150 | C | 85.3 | Confident | 88.7 | Confident | 57 Ų | 57 | 58.9 Ų | 58.9 | 39% | 0.385 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -30.2 | -177.5 | -56.5 | 0 | 0 | 0 | 0 | 114.3 | T144 T146 | T144-C150 WeakPolarHBondContact O-CA 3.44Å; T144-C150 WeakPolarHBondContact O-CB 3.47Å; T144-C150 PolarHBondContact O-SG 3.41Å; T146-C150 PolarHBondContact O-SG 3.3Å |
| 151 | Y | 87.3 | Confident | 88.9 | Confident | 143 Ų | 143 | 60.6 Ų | 60.6 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -12.2 | -176.7 | -60.5 | -67.1 | 0 | 0 | 0 | 114.1 | E50 R149 K153 R154 T155 | E50-Y151 WeakPolarHBondContact OE1-CB 3.24Å; E50-Y151 WeakPolarHBondContact OE2-CB 3.3Å; R149-Y151 PolarHBondContact O-N 2.92Å; Y151-K153 VanDerWaalsContact C-N 3.34Å; Y151-K153 PolarHBondContact O-N 3.45Å; Y151-R154 WeakPolarHBondContact O-CB 3.17Å; Y151-R154 PolarHBondContact O-N 3.48Å; Y151-T155 PolarHBondContact O-N 3.04Å; Y151-T155 PolarHBondContact O-OG1 2.99Å |
| 152 | M | 89.3 | Confident | 89 | Confident | 21 Ų | 21 | 66.1 Ų | 66.1 | 10% | 0.103 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -55.3 | -47 | -173.9 | -177.1 | 58 | 71.2 | 0 | 0 | 112.4 | L51 G137 F140 R149 R154 T155 L156 | L51-M152 HydrophobicContact CD2-SD 3.67Å; G137-M152 WeakPolarHBondContact CA-SD 3.43Å; G137-M152 WeakPolarHBondContact O-CG 3.44Å; F140-M152 HydrophobicContact CB-CG 4.43Å; R149-M152 WeakPolarHBondContact O-CB 3.47Å; R149-M152 PolarHBondContact O-N 3.44Å; M152-R154 PolarHBondContact O-N 2.98Å; M152-T155 PolarHBondContact O-N 3.16Å; M152-L156 WeakPolarHBondContact O-CB 3.36Å; M152-L156 PolarHBondContact O-N 3.35Å |
| 153 | K | 92.5 | Very high | 89.2 | Confident | 76 Ų | 76 | 65.6 Ų | 65.6 | 33% | 0.33 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.6 | -51.6 | 176.3 | 179.1 | 173.7 | 176.1 | 64.8 | 0 | 111.8 | Y141 T144 Y151 T155 L156 D157 | Y141-K153 HydrophobicContact CD2-CB 4.31Å; Y141-K153 HydrophobicContact CD2-CG 4.28Å; Y141-K153 HydrophobicContact CE1-CD 4.46Å; Y141-K153 HydrophobicContact CE1-CG 4.22Å; Y141-K153 HydrophobicContact CE2-CB 4.22Å; Y141-K153 HydrophobicContact CE2-CG 3.75Å; Y141-K153 VanDerWaalsContact CZ-NZ 3.26Å; Y141-K153 PolarHBondContact OH-NZ 3Å; T144-K153 HydrophobicContact CG2-CB 3.71Å; T144-K153 HydrophobicContact CG2-CD 3.69Å; T144-K153 HydrophobicContact CG2-CG 4.34Å; Y151-K153 VanDerWaalsContact C-N 3.34Å; Y151-K153 PolarHBondContact O-N 3.45Å; K153-T155 PolarHBondContact O-N 2.81Å; K153-L156 PolarHBondContact O-N 3.26Å; K153-D157 IonicContact NZ-OD2 3.71Å; K153-D157 VanDerWaalsContact O-CB 3.3Å; K153-D157 WeakPolarHBondContact O-CB 3.07Å; K153-D157 PolarHBondContact O-N 3.13Å |
| 154 | R | 92.1 | Very high | 89.5 | Confident | 166 Ų | 166 | 71.3 Ų | 71.3 | 63% | 0.626 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.2 | -45 | -178.9 | 178.1 | 180 | 176.9 | 174.1 | -0 | 111.3 | Y151 M152 D157 L158 | Y151-R154 WeakPolarHBondContact O-CB 3.17Å; Y151-R154 PolarHBondContact O-N 3.48Å; M152-R154 PolarHBondContact O-N 2.98Å; R154-D157 PolarHBondContact O-N 2.96Å; R154-L158 HydrophobicContact CG-CD1 3.94Å; R154-L158 HydrophobicContact CG-CG 4.46Å; R154-L158 WeakPolarHBondContact O-CB 3.43Å; R154-L158 VanDerWaalsContact O-CG 3.31Å; R154-L158 WeakPolarHBondContact O-CG 3.35Å; R154-L158 PolarHBondContact O-N 3.4Å |
| 155 | T | 91.7 | Very high | 90 | Very high | 23 Ų | 23 | 69.8 Ų | 69.8 | 14% | 0.141 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.5 | -44.6 | -178.9 | -62.6 | 0 | 0 | 0 | 0 | 111.2 | E50 L51 Y151 M152 K153 M159 | E50-T155 HydrophobicContact CB-CG2 4.4Å; E50-T155 WeakPolarHBondContact OE2-CB 3.34Å; E50-T155 PolarHBondContact OE2-OG1 2.83Å; L51-T155 HydrophobicContact CD1-CG2 3.96Å; L51-T155 HydrophobicContact CG-CG2 4.09Å; Y151-T155 PolarHBondContact O-N 3.04Å; Y151-T155 PolarHBondContact O-OG1 2.99Å; M152-T155 PolarHBondContact O-N 3.16Å; K153-T155 PolarHBondContact O-N 2.81Å; T155-M159 VanDerWaalsContact O-CB 3.31Å; T155-M159 WeakPolarHBondContact O-CB 3.32Å; T155-M159 PolarHBondContact O-N 2.92Å; T155-M159 VanDerWaalsContact O-N 3.08Å |
| 156 | L | 93.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.1 | -41 | 177.9 | -160.7 | 78.6 | 0 | 0 | 0 | 112 | L51 L134 M138 Y141 M152 K153 M159 Q160 W174 | L51-L156 HydrophobicContact CD1-CD1 4.28Å; L51-L156 HydrophobicContact CD2-CD1 3.85Å; L134-L156 HydrophobicContact CD2-CD1 4.1Å; M138-L156 HydrophobicContact CG-CD2 3.92Å; Y141-L156 HydrophobicContact CD2-CB 4.12Å; Y141-L156 HydrophobicContact CD2-CD2 3.54Å; Y141-L156 HydrophobicContact CD2-CG 4.46Å; Y141-L156 HydrophobicContact CE2-CB 4.29Å; Y141-L156 HydrophobicContact CE2-CD2 4.03Å; Y141-L156 HydrophobicContact CG-CD2 4.43Å; M152-L156 WeakPolarHBondContact O-CB 3.36Å; M152-L156 PolarHBondContact O-N 3.35Å; K153-L156 PolarHBondContact O-N 3.26Å; L156-M159 HydrophobicContact CD1-CE 3.8Å; L156-M159 HydrophobicContact CD1-SD 4.32Å; L156-M159 HydrophobicContact CG-CE 4.27Å; L156-M159 WeakPolarHBondContact O-CB 3.22Å; L156-M159 PolarHBondContact O-N 3.45Å; L156-Q160 WeakPolarHBondContact O-CG 3.27Å; L156-Q160 PolarHBondContact O-N 3.41Å; L156-W174 HydrophobicContact CD2-CH2 3.36Å; L156-W174 HydrophobicContact CD2-CZ2 3.52Å |
| 157 | D | 95.3 | Very high | 91.4 | Very high | 30 Ų | 30 | 62.9 Ų | 62.9 | 16% | 0.16 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.6 | -48.6 | 178.3 | -75.9 | -18.7 | 0 | 0 | 0 | 111.6 | Y141 K153 R154 M159 Q160 M161 S212 | Y141-D157 VanDerWaalsContact CE2-OD1 3.24Å; Y141-D157 WeakPolarHBondContact CE2-OD1 3.31Å; Y141-D157 VanDerWaalsContact CZ-OD1 3.32Å; Y141-D157 VanDerWaalsContact OH-CG 3.24Å; Y141-D157 PolarHBondContact OH-OD1 3.17Å; Y141-D157 PolarHBondContact OH-OD2 2.91Å; K153-D157 IonicContact NZ-OD2 3.71Å; K153-D157 VanDerWaalsContact O-CB 3.3Å; K153-D157 WeakPolarHBondContact O-CB 3.07Å; K153-D157 PolarHBondContact O-N 3.13Å; R154-D157 PolarHBondContact O-N 2.96Å; D157-M159 VanDerWaalsContact C-N 3.31Å; D157-M159 PolarHBondContact O-N 3.46Å; D157-Q160 PolarHBondContact O-N 3.3Å; D157-M161 HydrophobicContact CB-CE 4.26Å; D157-M161 VanDerWaalsContact O-CE 3.26Å; D157-M161 WeakPolarHBondContact O-CE 3.21Å; D157-M161 WeakPolarHBondContact O-CG 3.26Å; D157-M161 PolarHBondContact O-N 3.09Å; D157-M161 VanDerWaalsContact O-N 3.12Å; D157-S212 VanDerWaalsContact OD1-CB 3.26Å; D157-S212 WeakPolarHBondContact OD1-CB 3.42Å; D157-S212 PolarHBondContact OD1-OG 3.2Å |
| 158 | L | 94.4 | Very high | 92.1 | Very high | 88 Ų | 88 | 57.5 Ų | 57.5 | 46% | 0.461 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 176.9 | -72 | 173.5 | 0 | 0 | 0 | 111.4 | R154 M161 E162 | R154-L158 HydrophobicContact CG-CD1 3.94Å; R154-L158 HydrophobicContact CG-CG 4.46Å; R154-L158 WeakPolarHBondContact O-CB 3.43Å; R154-L158 VanDerWaalsContact O-CG 3.31Å; R154-L158 WeakPolarHBondContact O-CG 3.35Å; R154-L158 PolarHBondContact O-N 3.4Å; L158-M161 HydrophobicContact CD2-CE 4.19Å; L158-E162 WeakPolarHBondContact O-CB 3.27Å; L158-E162 PolarHBondContact O-N 3.49Å |
| 159 | M | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 176.4 | -179.4 | -145.2 | 66.1 | 0 | 0 | 112.6 | R48 L51 L134 T155 L156 D157 M161 E162 F163 C250 L254 | R48-M159 VanDerWaalsContact NH1-CA 3.26Å; R48-M159 VanDerWaalsContact NH1-CG 3.28Å; L51-M159 HydrophobicContact CD1-SD 3.86Å; L134-M159 HydrophobicContact CD2-CE 4.07Å; L134-M159 HydrophobicContact CD2-SD 3.67Å; T155-M159 VanDerWaalsContact O-CB 3.31Å; T155-M159 WeakPolarHBondContact O-CB 3.32Å; T155-M159 PolarHBondContact O-N 2.92Å; T155-M159 VanDerWaalsContact O-N 3.08Å; L156-M159 HydrophobicContact CD1-CE 3.8Å; L156-M159 HydrophobicContact CD1-SD 4.32Å; L156-M159 HydrophobicContact CG-CE 4.27Å; L156-M159 WeakPolarHBondContact O-CB 3.22Å; L156-M159 PolarHBondContact O-N 3.45Å; D157-M159 VanDerWaalsContact C-N 3.31Å; D157-M159 PolarHBondContact O-N 3.46Å; M159-M161 VanDerWaalsContact C-N 3.34Å; M159-M161 PolarHBondContact O-N 2.86Å; M159-E162 PolarHBondContact O-N 3.43Å; M159-F163 HydrophobicContact CG-CD2 4.06Å; M159-F163 WeakPolarHBondContact O-CB 3.28Å; M159-F163 PolarHBondContact O-N 3.22Å; M159-C250 HydrophobicContact CE-CB 3.56Å; M159-C250 WeakPolarHBondContact CE-SG 3.48Å; M159-C250 HydrophobicContact SD-CB 4.18Å; M159-L254 HydrophobicContact CG-CD1 4.18Å; M159-L254 HydrophobicContact CG-CD2 4.32Å; M159-L254 HydrophobicContact SD-CD1 3.57Å; M159-L254 VanDerWaalsContact SD-CD1 3.57Å; M159-L254 HydrophobicContact SD-CG 4.41Å |
| 160 | Q | 96.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | -179.5 | -76.6 | -176.8 | -26.4 | 0 | 0 | 111.9 | L156 D157 R164 C165 S212 C213 | L156-Q160 WeakPolarHBondContact O-CG 3.27Å; L156-Q160 PolarHBondContact O-N 3.41Å; D157-Q160 PolarHBondContact O-N 3.3Å; Q160-R164 WeakPolarHBondContact O-CA 3.35Å; Q160-R164 PolarHBondContact O-N 3.04Å; Q160-C165 WeakPolarHBondContact CA-O 3.26Å; Q160-C165 VanDerWaalsContact CB-O 3.3Å; Q160-C165 WeakPolarHBondContact CB-O 3.36Å; Q160-C165 WeakPolarHBondContact CG-O 3.35Å; Q160-C165 PolarHBondContact O-N 3.1Å; Q160-C165 VanDerWaalsContact O-N 3.08Å; Q160-S212 PolarHBondContact OE1-OG 3.23Å; Q160-C213 PolarHBondContact OE1-SG 3.03Å |
| 161 | M | 95.3 | Very high | 93.9 | Very high | 86 Ų | 86 | 52.5 Ų | 52.5 | 42% | 0.424 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.7 | -43.1 | 178 | -67.6 | -176.3 | -73.7 | 0 | 0 | 112.5 | D157 L158 M159 | D157-M161 HydrophobicContact CB-CE 4.26Å; D157-M161 VanDerWaalsContact O-CE 3.26Å; D157-M161 WeakPolarHBondContact O-CE 3.21Å; D157-M161 WeakPolarHBondContact O-CG 3.26Å; D157-M161 PolarHBondContact O-N 3.09Å; D157-M161 VanDerWaalsContact O-N 3.12Å; L158-M161 HydrophobicContact CD2-CE 4.19Å; M159-M161 VanDerWaalsContact C-N 3.34Å; M159-M161 PolarHBondContact O-N 2.86Å |
| 162 | E | 94.7 | Very high | 94.1 | Very high | 120 Ų | 120 | 51 Ų | 51 | 56% | 0.561 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -69.3 | -44.9 | -177.5 | -173.9 | 178.7 | 176.2 | 0 | 0 | 112.2 | R48 L158 M159 | R48-E162 IonicContact CZ-OE2 3.41Å; R48-E162 IonicContact NH1-OE2 2.71Å; R48-E162 IonicContact NH2-OE1 3.74Å; R48-E162 PolarHBondContact NH2-OE1 3.47Å; R48-E162 IonicContact NH2-OE2 3.82Å; R48-E162 PolarHBondContact NH2-OE2 2.89Å; L158-E162 WeakPolarHBondContact O-CB 3.27Å; L158-E162 PolarHBondContact O-N 3.49Å; M159-E162 PolarHBondContact O-N 3.43Å |
| 163 | F | 94.8 | Very high | 94.4 | Very high | 32 Ų | 32 | 51.3 Ų | 51.3 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -90.4 | 0.8 | -179.8 | -75.7 | -67.9 | 0 | 0 | 0 | 114.6 | M159 C165 A253 L254 Y257 | M159-F163 HydrophobicContact CG-CD2 4.06Å; M159-F163 WeakPolarHBondContact O-CB 3.28Å; M159-F163 PolarHBondContact O-N 3.22Å; F163-C165 VanDerWaalsContact C-N 3.32Å; F163-C165 PolarHBondContact O-N 2.97Å; F163-A253 HydrophobicContact CB-CB 4.23Å; F163-L254 HydrophobicContact CD1-CD2 4.46Å; F163-L254 HydrophobicContact CD2-CD2 3.32Å; F163-L254 HydrophobicContact CD2-CG 4.35Å; F163-L254 HydrophobicContact CE1-CD2 4.36Å; F163-L254 HydrophobicContact CE2-CD2 3.09Å; F163-L254 HydrophobicContact CE2-CG 4.45Å; F163-L254 HydrophobicContact CG-CD2 4Å; F163-L254 HydrophobicContact CZ-CD2 3.71Å; F163-Y257 AromaticContact CE1-CD1 3.81Å; F163-Y257 HydrophobicContact CE1-CD1 3.81Å; F163-Y257 AromaticContact CE1-CD2 3.77Å; F163-Y257 HydrophobicContact CE1-CD2 3.77Å; F163-Y257 HydrophobicContact CE1-CE1 4.33Å; F163-Y257 HydrophobicContact CE1-CE2 4.31Å; F163-Y257 AromaticContact CE1-CG 3.47Å; F163-Y257 HydrophobicContact CE1-CG 3.47Å; F163-Y257 VanDerWaalsContact CE1-CG 3.47Å; F163-Y257 AromaticContact CZ-CD1 3.53Å; F163-Y257 HydrophobicContact CZ-CD1 3.53Å; F163-Y257 HydrophobicContact CZ-CD2 4.24Å; F163-Y257 AromaticContact CZ-CE1 3.83Å; F163-Y257 HydrophobicContact CZ-CE1 3.83Å; F163-Y257 AromaticContact CZ-CG 3.73Å; F163-Y257 HydrophobicContact CZ-CG 3.73Å |
| 164 | R | 95.4 | Very high | 94.6 | Very high | 161 Ų | 161 | 47.7 Ų | 47.7 | 61% | 0.608 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54 | 51.6 | 176.7 | -56.5 | 179 | -177.3 | 178.8 | -0.3 | 111.1 | Q160 W246 | Q160-R164 WeakPolarHBondContact O-CA 3.35Å; Q160-R164 PolarHBondContact O-N 3.04Å; R164-W246 HydrophobicContact CB-CD2 3.67Å; R164-W246 HydrophobicContact CB-CE3 3.75Å; R164-W246 HydrophobicContact CB-CG 4.35Å; R164-W246 HydrophobicContact CB-CH2 3.8Å; R164-W246 HydrophobicContact CB-CZ2 3.7Å; R164-W246 HydrophobicContact CB-CZ3 3.83Å; R164-W246 HydrophobicContact CG-CD2 4.5Å; R164-W246 HydrophobicContact CG-CH2 3.77Å; R164-W246 HydrophobicContact CG-CZ2 3.59Å; R164-W246 HydrophobicContact CG-CZ3 4.28Å; R164-W246 WeakPolarHBondContact O-CB 3.11Å |
| 165 | C | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -136.1 | 160.7 | -174.2 | 69.4 | 0 | 0 | 0 | 0 | 110.6 | Q160 F163 R248 C250 A253 | Q160-C165 WeakPolarHBondContact CA-O 3.26Å; Q160-C165 VanDerWaalsContact CB-O 3.3Å; Q160-C165 WeakPolarHBondContact CB-O 3.36Å; Q160-C165 WeakPolarHBondContact CG-O 3.35Å; Q160-C165 PolarHBondContact O-N 3.1Å; Q160-C165 VanDerWaalsContact O-N 3.08Å; F163-C165 VanDerWaalsContact C-N 3.32Å; F163-C165 PolarHBondContact O-N 2.97Å; C165-R248 CarbonylContact C-O 3.6Å; C165-R248 WeakPolarHBondContact CA-O 3.44Å; C165-R248 VanDerWaalsContact CB-O 3.31Å; C165-R248 WeakPolarHBondContact CB-O 3.46Å; C165-C250 HydrophobicContact CB-CB 3.89Å; C165-C250 WeakPolarHBondContact CB-SG 3.21Å; C165-C250 WeakPolarHBondContact SG-CA 3.26Å; C165-C250 WeakPolarHBondContact SG-CB 3.39Å; C165-C250 CovalentContact SG-SG 2.04Å; C165-C250 PolarHBondContact SG-SG 3.28Å; C165-A253 HydrophobicContact CB-CB 3.91Å | ||
| 166 | C | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -143.9 | 137.5 | 176.4 | -174.7 | 0 | 0 | 0 | 0 | 111.2 | N170 Y171 W174 C213 W246 R248 | C166-N170 CarbonylContact O-C 3.39Å; C166-N170 VanDerWaalsContact O-C 3.23Å; C166-Y171 PolarHBondContact O-N 2.69Å; C166-Y171 VanDerWaalsContact SG-CA 3.55Å; C166-Y171 WeakPolarHBondContact SG-CB 3.42Å; C166-W174 VanDerWaalsContact SG-CD1 3.54Å; C166-C213 HydrophobicContact CB-CB 3.65Å; C166-C213 WeakPolarHBondContact CB-SG 3.41Å; C166-C213 WeakPolarHBondContact SG-CB 3.17Å; C166-C213 CovalentContact SG-SG 2.02Å; C166-C213 PolarHBondContact SG-SG 2.85Å; C166-W246 HydrophobicContact CB-CB 4.22Å; C166-W246 WeakPolarHBondContact CB-O 3.19Å; C166-R248 PolarHBondContact N-O 2.95Å | ||
| 167 | G | 95.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 67.1 | -168.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | N170 C250 | G167-N170 WeakPolarHBondContact CA-O 3.42Å; G167-C250 WeakPolarHBondContact O-CB 3.36Å; G167-C250 PolarHBondContact O-N 3.09Å; G167-C250 PolarHBondContact O-SG 2.76Å; G167-C250 VanDerWaalsContact O-SG 3.39Å |
| 168 | N | 95.5 | Very high | 94.6 | Very high | 14 Ų | 14 | 48.3 Ų | 48.3 | 8% | 0.075 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -82.1 | -60.8 | 178 | -169.5 | 4.1 | 0 | 0 | 0 | 109.4 | A131 L134 M138 D173 G249 C250 R251 | A131-N168 PolarHBondContact O-ND2 3.03Å; L134-N168 HydrophobicContact CB-CB 4.4Å; M138-N168 HydrophobicContact SD-CB 4.15Å; N168-D173 WeakPolarHBondContact CA-OD2 3.45Å; N168-D173 WeakPolarHBondContact CB-OD2 3.49Å; N168-D173 PolarHBondContact N-OD2 2.96Å; N168-G249 CarbonylContact O-C 3.5Å; N168-G249 WeakPolarHBondContact O-CA 3.37Å; N168-C250 PolarHBondContact O-N 3.36Å; N168-C250 VanDerWaalsContact O-N 3.17Å; N168-R251 WeakPolarHBondContact O-CB 3.48Å; N168-R251 PolarHBondContact O-N 2.94Å; N168-R251 WeakPolarHBondContact OD1-CB 3.32Å |
| 169 | D | 95.4 | Very high | 94.5 | Very high | 73 Ų | 73 | 45.3 Ų | 45.3 | 39% | 0.39 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -98.9 | -40.4 | 176.1 | -81.9 | -43.9 | 0 | 0 | 0 | 112.3 | D173 G249 R251 | D169-D173 PolarHBondContact N-OD2 2.83Å; D169-G249 VanDerWaalsContact C-CA 3.48Å; D169-G249 WeakPolarHBondContact O-CA 3.5Å; D169-G249 PolarHBondContact O-N 3.39Å; D169-R251 VanDerWaalsContact CG-CZ 3.48Å; D169-R251 IonicContact OD1-CZ 3.44Å; D169-R251 IonicContact OD1-NE 3.67Å; D169-R251 PolarHBondContact OD1-NE 3.22Å; D169-R251 IonicContact OD1-NH1 2.94Å; D169-R251 PolarHBondContact OD1-NH1 3.05Å; D169-R251 IonicContact OD1-NH2 3.02Å; D169-R251 PolarHBondContact OD1-NH2 3.04Å; D169-R251 IonicContact OD2-CZ 2.88Å; D169-R251 IonicContact OD2-NH1 3.51Å; D169-R251 PolarHBondContact OD2-NH1 3.41Å; D169-R251 IonicContact OD2-NH2 2.72Å; D169-R251 PolarHBondContact OD2-NH2 3.14Å |
| 170 | N | 93.3 | Very high | 94.5 | Very high | 51 Ų | 51 | 46.4 Ų | 46.4 | 27% | 0.273 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -160.4 | 172 | 176.8 | 68.9 | 89.5 | 0 | 0 | 0 | 111 | C166 G167 R172 D173 | C166-N170 CarbonylContact O-C 3.39Å; C166-N170 VanDerWaalsContact O-C 3.23Å; G167-N170 WeakPolarHBondContact CA-O 3.42Å; N170-R172 PolarHBondContact O-N 3.45Å; N170-R172 VanDerWaalsContact O-N 3.16Å; N170-R172 WeakPolarHBondContact OD1-CA 3.26Å; N170-R172 WeakPolarHBondContact OD1-CB 3.49Å; N170-R172 WeakPolarHBondContact OD1-CG 3.45Å; N170-R172 PolarHBondContact OD1-N 3.18Å; N170-D173 PolarHBondContact N-OD2 3.1Å; N170-D173 VanDerWaalsContact N-OD2 3.15Å; N170-D173 PolarHBondContact ND2-OD1 3.2Å; N170-D173 WeakPolarHBondContact O-CB 3.46Å; N170-D173 PolarHBondContact O-N 2.94Å; N170-D173 VanDerWaalsContact O-N 3.15Å; N170-D173 VanDerWaalsContact O-OD2 3.08Å |
| 171 | Y | 92.8 | Very high | 94.2 | Very high | 14 Ų | 14 | 47.3 Ų | 47.3 | 6% | 0.055 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -61.5 | -25.2 | -176.8 | 73 | -89.8 | 0 | 0 | 0 | 114.5 | C166 D173 W174 F175 V209 M227 H238 L243 V245 | C166-Y171 PolarHBondContact O-N 2.69Å; C166-Y171 VanDerWaalsContact SG-CA 3.55Å; C166-Y171 WeakPolarHBondContact SG-CB 3.42Å; Y171-D173 PolarHBondContact O-N 2.89Å; Y171-W174 WeakPolarHBondContact O-CB 3.44Å; Y171-W174 PolarHBondContact O-N 3.47Å; Y171-F175 HydrophobicContact CD2-CE1 4.38Å; Y171-F175 AromaticContact CD2-CZ 3.95Å; Y171-F175 HydrophobicContact CD2-CZ 3.95Å; Y171-F175 HydrophobicContact CE2-CE2 4.2Å; Y171-F175 AromaticContact CE2-CZ 3.74Å; Y171-F175 HydrophobicContact CE2-CZ 3.74Å; Y171-V209 HydrophobicContact CD2-CG1 4.14Å; Y171-V209 WeakPolarHBondContact O-CG1 3.14Å; Y171-M227 HydrophobicContact CD2-CE 3.44Å; Y171-M227 VanDerWaalsContact CD2-CE 3.44Å; Y171-M227 HydrophobicContact CD2-SD 4.24Å; Y171-M227 HydrophobicContact CE2-CE 3.36Å; Y171-M227 HydrophobicContact CE2-SD 4.34Å; Y171-M227 HydrophobicContact CG-CE 4.36Å; Y171-H238 PolarHBondContact OH-CE1 3.2Å; Y171-L243 HydrophobicContact CD1-CD1 4.34Å; Y171-L243 HydrophobicContact CE1-CD1 3.49Å; Y171-L243 VanDerWaalsContact CE1-CD1 3.49Å; Y171-L243 HydrophobicContact CE2-CD1 4.37Å; Y171-L243 VanDerWaalsContact CZ-CD1 3.5Å; Y171-L243 WeakPolarHBondContact OH-CD1 3.42Å; Y171-V245 HydrophobicContact CG-CG2 4.23Å |
| 172 | R | 93 | Very high | 93.9 | Very high | 112 Ų | 112 | 47.1 Ų | 47.1 | 42% | 0.423 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -70.4 | -15.2 | 179.7 | -56.5 | -179.4 | 170.2 | 178.4 | -5.8 | 112.8 | N170 W174 F175 H238 | N170-R172 PolarHBondContact O-N 3.45Å; N170-R172 VanDerWaalsContact O-N 3.16Å; N170-R172 WeakPolarHBondContact OD1-CA 3.26Å; N170-R172 WeakPolarHBondContact OD1-CB 3.49Å; N170-R172 WeakPolarHBondContact OD1-CG 3.45Å; N170-R172 PolarHBondContact OD1-N 3.18Å; R172-W174 PolarHBondContact O-N 3.27Å; R172-W174 VanDerWaalsContact O-N 3.09Å; R172-F175 HydrophobicContact CB-CD2 3.9Å; R172-F175 HydrophobicContact CB-CE2 4.06Å; R172-F175 HydrophobicContact CB-CG 4.43Å; R172-F175 HydrophobicContact CG-CD2 4.13Å; R172-F175 HydrophobicContact CG-CE2 3.8Å; R172-F175 HydrophobicContact CG-CZ 4.4Å; R172-F175 VanDerWaalsContact O-CB 3.26Å; R172-F175 WeakPolarHBondContact O-CB 3.25Å; R172-F175 WeakPolarHBondContact O-CG 3.31Å; R172-F175 PolarHBondContact O-N 3.46Å; R172-H238 PolarHBondContact NH2-CE1 3.4Å; R172-H238 VanDerWaalsContact NH2-CE1 3.32Å; R172-H238 PolarHBondContact NH2-NE2 2.86Å |
| 173 | D | 95.5 | Very high | 93.7 | Very high | 27 Ų | 27 | 49.5 Ų | 49.5 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -57.9 | -25.3 | 173.7 | -58.2 | -15.1 | 0 | 0 | 0 | 111.6 | M138 N168 D169 N170 Y171 F175 | M138-D173 HydrophobicContact CE-CB 3.74Å; N168-D173 WeakPolarHBondContact CA-OD2 3.45Å; N168-D173 WeakPolarHBondContact CB-OD2 3.49Å; N168-D173 PolarHBondContact N-OD2 2.96Å; D169-D173 PolarHBondContact N-OD2 2.83Å; N170-D173 PolarHBondContact N-OD2 3.1Å; N170-D173 VanDerWaalsContact N-OD2 3.15Å; N170-D173 PolarHBondContact ND2-OD1 3.2Å; N170-D173 WeakPolarHBondContact O-CB 3.46Å; N170-D173 PolarHBondContact O-N 2.94Å; N170-D173 VanDerWaalsContact O-N 3.15Å; N170-D173 VanDerWaalsContact O-OD2 3.08Å; Y171-D173 PolarHBondContact O-N 2.89Å; D173-F175 VanDerWaalsContact C-N 3.28Å; D173-F175 PolarHBondContact O-N 3.5Å |
| 174 | W | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -70.6 | -21.1 | 173.5 | -71.7 | 115.1 | 0 | 0 | 0 | 114 | M138 Y141 L156 C166 Y171 R172 E176 I177 W179 V209 P210 C213 | M138-W174 HydrophobicContact CB-CH2 4.26Å; M138-W174 HydrophobicContact CB-CZ3 4.21Å; M138-W174 HydrophobicContact CE-CD2 3.47Å; M138-W174 VanDerWaalsContact CE-CD2 3.47Å; M138-W174 HydrophobicContact CE-CE3 3.75Å; M138-W174 HydrophobicContact CE-CG 3.91Å; M138-W174 HydrophobicContact CE-CH2 4.29Å; M138-W174 HydrophobicContact CE-CZ2 4.06Å; M138-W174 HydrophobicContact CE-CZ3 4.14Å; M138-W174 HydrophobicContact CG-CH2 3.94Å; M138-W174 HydrophobicContact CG-CZ2 4.12Å; M138-W174 HydrophobicContact CG-CZ3 4.29Å; Y141-W174 HydrophobicContact CD1-CH2 4.16Å; Y141-W174 HydrophobicContact CD1-CZ3 4.15Å; Y141-W174 AromaticContact CD2-CH2 3.75Å; Y141-W174 HydrophobicContact CD2-CH2 3.75Å; Y141-W174 HydrophobicContact CD2-CZ3 4.47Å; Y141-W174 HydrophobicContact CE2-CH2 4.13Å; Y141-W174 AromaticContact CG-CH2 3.74Å; Y141-W174 HydrophobicContact CG-CH2 3.74Å; Y141-W174 HydrophobicContact CG-CZ3 4Å; L156-W174 HydrophobicContact CD2-CH2 3.36Å; L156-W174 HydrophobicContact CD2-CZ2 3.52Å; C166-W174 VanDerWaalsContact SG-CD1 3.54Å; Y171-W174 WeakPolarHBondContact O-CB 3.44Å; Y171-W174 PolarHBondContact O-N 3.47Å; R172-W174 PolarHBondContact O-N 3.27Å; R172-W174 VanDerWaalsContact O-N 3.09Å; W174-E176 VanDerWaalsContact C-N 3.26Å; W174-E176 PolarHBondContact O-N 3.35Å; W174-I177 PolarHBondContact O-N 2.88Å; W174-W179 HydrophobicContact CE3-CB 3.62Å; W174-W179 AromaticContact CE3-CD1 3.68Å; W174-W179 AromaticContact CE3-CG 3.7Å; W174-W179 HydrophobicContact CE3-CG 3.7Å; W174-W179 HydrophobicContact CZ3-CB 3.49Å; W174-W179 VanDerWaalsContact CZ3-CB 3.49Å; W174-W179 HydrophobicContact CZ3-CG 4.02Å; W174-V209 HydrophobicContact CB-CG1 4.17Å; W174-V209 HydrophobicContact CG-CG1 4.39Å; W174-P210 HydrophobicContact CD2-CG 3.85Å; W174-P210 HydrophobicContact CE3-CG 4.02Å; W174-P210 HydrophobicContact CG-CG 4.49Å; W174-P210 HydrophobicContact CH2-CG 3.86Å; W174-P210 HydrophobicContact CZ2-CG 3.67Å; W174-P210 HydrophobicContact CZ3-CG 4.04Å; W174-C213 PolarHBondContact NE1-SG 3.22Å; W174-C213 VanDerWaalsContact NE1-SG 3.4Å |
| 175 | F | 94 | Very high | 93.2 | Very high | 36 Ų | 36 | 49 Ų | 49 | 16% | 0.158 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -24.8 | -179.2 | -56 | -8.9 | 0 | 0 | 0 | 111.3 | Y171 R172 D173 I177 D207 G208 V209 M227 T228 | Y171-F175 HydrophobicContact CD2-CE1 4.38Å; Y171-F175 AromaticContact CD2-CZ 3.95Å; Y171-F175 HydrophobicContact CD2-CZ 3.95Å; Y171-F175 HydrophobicContact CE2-CE2 4.2Å; Y171-F175 AromaticContact CE2-CZ 3.74Å; Y171-F175 HydrophobicContact CE2-CZ 3.74Å; R172-F175 HydrophobicContact CB-CD2 3.9Å; R172-F175 HydrophobicContact CB-CE2 4.06Å; R172-F175 HydrophobicContact CB-CG 4.43Å; R172-F175 HydrophobicContact CG-CD2 4.13Å; R172-F175 HydrophobicContact CG-CE2 3.8Å; R172-F175 HydrophobicContact CG-CZ 4.4Å; R172-F175 VanDerWaalsContact O-CB 3.26Å; R172-F175 WeakPolarHBondContact O-CB 3.25Å; R172-F175 WeakPolarHBondContact O-CG 3.31Å; R172-F175 PolarHBondContact O-N 3.46Å; D173-F175 VanDerWaalsContact C-N 3.28Å; D173-F175 PolarHBondContact O-N 3.5Å; F175-I177 VanDerWaalsContact C-N 3.35Å; F175-D207 VanDerWaalsContact CE2-OD1 3.3Å; F175-D207 WeakPolarHBondContact CE2-OD1 3.15Å; F175-D207 WeakPolarHBondContact CZ-OD1 3.03Å; F175-G208 WeakPolarHBondContact CD1-O 3.15Å; F175-V209 HydrophobicContact CE1-CG1 3.96Å; F175-M227 HydrophobicContact CE1-SD 3.98Å; F175-M227 HydrophobicContact CZ-CB 4.22Å; F175-M227 HydrophobicContact CZ-CG 4.49Å; F175-M227 HydrophobicContact CZ-SD 3.86Å; F175-T228 HydrophobicContact CE2-CG2 4.08Å |
| 176 | E | 92.8 | Very high | 93 | Very high | 153 Ų | 153 | 53.5 Ų | 53.5 | 72% | 0.715 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -0.6 | 179.9 | -58.6 | -177.3 | -178 | 0 | 0 | 112.8 | W174 | W174-E176 VanDerWaalsContact C-N 3.26Å; W174-E176 PolarHBondContact O-N 3.35Å |
| 177 | I | 92.9 | Very high | 92.7 | Very high | 31 Ų | 31 | 58.2 Ų | 58.2 | 16% | 0.159 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -128 | 128.4 | -175.4 | -59.3 | 173.9 | 0 | 0 | 0 | 109.7 | M138 W174 F175 W179 | M138-I177 HydrophobicContact CB-CD1 3.7Å; M138-I177 HydrophobicContact CE-CD1 3.91Å; W174-I177 PolarHBondContact O-N 2.88Å; F175-I177 VanDerWaalsContact C-N 3.35Å; I177-W179 VanDerWaalsContact O-CD1 3.31Å; I177-W179 PolarHBondContact O-N 2.89Å |
| 178 | Q | 92.9 | Very high | 92.6 | Very high | 14 Ų | 14 | 62.1 Ų | 62.1 | 7% | 0.065 | 29% | 0.294 | C | S | . | . | trans | -72.1 | 93.5 | 167.2 | -176.6 | -170.4 | -17.3 | 0 | 0 | 110.1 | K142 V180 N182 Q203 Y204 L205 | K142-Q178 VanDerWaalsContact CD-O 3.24Å; K142-Q178 WeakPolarHBondContact CD-O 3.45Å; Q178-V180 PolarHBondContact NE2-O 3.41Å; Q178-N182 PolarHBondContact NE2-OD1 2.91Å; Q178-Q203 HydrophobicContact CB-CB 4.28Å; Q178-Y204 WeakPolarHBondContact CG-O 3.13Å; Q178-L205 HydrophobicContact CB-CD2 4.34Å | ||
| 179 | W | 93.4 | Very high | 92.5 | Very high | 24 Ų | 24 | 63 Ų | 63 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | trans | -95.1 | -10.7 | 179.4 | 64 | -97.5 | 0 | 0 | 0 | 113.8 | Y141 K142 W174 I177 M206 G208 V209 P210 Y225 | Y141-W179 HydrophobicContact CD1-CB 3.91Å; Y141-W179 HydrophobicContact CD1-CE3 4.41Å; Y141-W179 AromaticContact CE1-CE3 3.95Å; Y141-W179 HydrophobicContact CE1-CE3 3.95Å; K142-W179 WeakPolarHBondContact CB-O 3.35Å; W174-W179 HydrophobicContact CE3-CB 3.62Å; W174-W179 AromaticContact CE3-CD1 3.68Å; W174-W179 AromaticContact CE3-CG 3.7Å; W174-W179 HydrophobicContact CE3-CG 3.7Å; W174-W179 HydrophobicContact CZ3-CB 3.49Å; W174-W179 VanDerWaalsContact CZ3-CB 3.49Å; W174-W179 HydrophobicContact CZ3-CG 4.02Å; I177-W179 VanDerWaalsContact O-CD1 3.31Å; I177-W179 PolarHBondContact O-N 2.89Å; W179-M206 HydrophobicContact CZ2-SD 4.41Å; W179-G208 PolarHBondContact NE1-O 3.14Å; W179-G208 VanDerWaalsContact NE1-O 3.16Å; W179-V209 VanDerWaalsContact CZ2-C 3.4Å; W179-V209 WeakPolarHBondContact CZ2-O 3.32Å; W179-P210 HydrophobicContact CD2-CG 3.94Å; W179-P210 HydrophobicContact CE3-CB 4.4Å; W179-P210 HydrophobicContact CE3-CG 3.89Å; W179-P210 HydrophobicContact CG-CG 4.44Å; W179-P210 HydrophobicContact CH2-CG 4.48Å; W179-P210 HydrophobicContact CZ3-CB 4.23Å; W179-P210 HydrophobicContact CZ3-CG 4.17Å; W179-Y225 HydrophobicContact CH2-CE1 4.27Å; W179-Y225 HydrophobicContact CZ2-CE1 4.22Å | ||
| 180 | V | 92.5 | Very high | 92.4 | Very high | 24 Ų | 24 | 67 Ų | 67 | 15% | 0.145 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -82.5 | 124.7 | 170.3 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | Q178 L185 M206 | Q178-V180 PolarHBondContact NE2-O 3.41Å; V180-L185 HydrophobicContact CG1-CD2 3.92Å; V180-L185 HydrophobicContact CG1-CG 4.29Å; V180-M206 HydrophobicContact CG2-SD 3.87Å |
| 181 | S | 90.9 | Very high | 92.2 | Very high | 19 Ų | 19 | 71.8 Ų | 71.8 | 13% | 0.133 | 34% | 0.338 | C | S | . | . | trans | -65.3 | 141.6 | 178.4 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | K142 R183 Y184 | K142-S181 WeakPolarHBondContact O-CB 3.09Å; S181-R183 PolarHBondContact O-N 2.86Å; S181-R183 PolarHBondContact OG-N 3.28Å; S181-Y184 PolarHBondContact O-N 3.44Å | ||
| 182 | N | 89.6 | Confident | 92.1 | Very high | 82 Ų | 82 | 71.9 Ų | 71.9 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -53.8 | -27.3 | 174.8 | -70.3 | -12 | 0 | 0 | 0 | 112.3 | Q178 Y184 L185 F187 | Q178-N182 PolarHBondContact NE2-OD1 2.91Å; N182-Y184 PolarHBondContact O-N 2.86Å; N182-L185 PolarHBondContact O-N 3.47Å; N182-L185 VanDerWaalsContact O-N 3.16Å; N182-F187 HydrophobicContact CB-CE2 4.07Å; N182-F187 HydrophobicContact CB-CZ 3.84Å; N182-F187 WeakPolarHBondContact O-CE2 3.31Å |
| 183 | R | 88.7 | Confident | 91.9 | Very high | 170 Ų | 170 | 72 Ų | 72 | 64% | 0.642 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -62.1 | -28.8 | 177 | -178.7 | 176.1 | 177.2 | 178 | -0.6 | 113.6 | D145 S181 | D145-R183 IonicContact OD1-NH1 3.13Å; D145-R183 PolarHBondContact OD1-NH1 3.25Å; D145-R183 WeakPolarHBondContact OD2-CD 3.43Å; D145-R183 IonicContact OD2-NH1 3.36Å; D145-R183 PolarHBondContact OD2-NH1 3.42Å; D145-R183 VanDerWaalsContact OD2-NH1 3.13Å; S181-R183 PolarHBondContact O-N 2.86Å; S181-R183 PolarHBondContact OG-N 3.28Å |
| 184 | Y | 88.8 | Confident | 91.7 | Very high | 164 Ų | 164 | 75 Ų | 75 | 64% | 0.643 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -94.2 | 0.3 | 179.7 | -56.8 | -64.4 | 0 | 0 | 0 | 112.7 | S181 N182 | S181-Y184 PolarHBondContact O-N 3.44Å; N182-Y184 PolarHBondContact O-N 2.86Å |
| 185 | L | 90.9 | Very high | 91.3 | Very high | 20 Ų | 20 | 79 Ų | 79 | 11% | 0.105 | 37% | 0.374 | C | S | . | . | trans | -101.3 | 122.3 | -179.5 | -61.3 | 179.3 | 0 | 0 | 0 | 109.7 | V180 N182 F187 V192 Y204 | V180-L185 HydrophobicContact CG1-CD2 3.92Å; V180-L185 HydrophobicContact CG1-CG 4.29Å; N182-L185 PolarHBondContact O-N 3.47Å; N182-L185 VanDerWaalsContact O-N 3.16Å; L185-F187 HydrophobicContact CB-CE2 4.23Å; L185-F187 HydrophobicContact CB-CZ 4.16Å; L185-F187 HydrophobicContact CD1-CZ 4.46Å; L185-F187 WeakPolarHBondContact O-CD2 3.11Å; L185-F187 PolarHBondContact O-N 3.34Å; L185-V192 HydrophobicContact CB-CG1 4.23Å; L185-Y204 HydrophobicContact CD1-CD1 4.04Å; L185-Y204 HydrophobicContact CD1-CD2 4.27Å; L185-Y204 HydrophobicContact CD1-CG 3.73Å; L185-Y204 HydrophobicContact CD2-CD1 3.76Å; L185-Y204 HydrophobicContact CD2-CD2 4.26Å; L185-Y204 HydrophobicContact CD2-CE1 3.76Å; L185-Y204 HydrophobicContact CD2-CE2 4.26Å; L185-Y204 HydrophobicContact CD2-CG 4.03Å | ||
| 186 | D | 92.3 | Very high | 91.1 | Very high | 93 Ų | 93 | 79 Ų | 79 | 50% | 0.497 | 38% | 0.376 | S | S | . | . | trans | -81.5 | 96.5 | 168.8 | -177.4 | -1 | 0 | 0 | 0 | 109.5 | S188 A189 V192 | D186-S188 VanDerWaalsContact CG-OG 3.27Å; D186-S188 PolarHBondContact O-N 2.95Å; D186-S188 VanDerWaalsContact O-N 3.13Å; D186-S188 WeakPolarHBondContact OD1-CA 3.18Å; D186-S188 VanDerWaalsContact OD1-CB 3.25Å; D186-S188 WeakPolarHBondContact OD1-CB 3.33Å; D186-S188 PolarHBondContact OD1-N 3.18Å; D186-S188 PolarHBondContact OD1-OG 2.89Å; D186-S188 PolarHBondContact OD2-OG 3.39Å; D186-A189 HydrophobicContact CB-CB 4.2Å; D186-A189 WeakPolarHBondContact O-CB 3.38Å; D186-A189 PolarHBondContact O-N 3.48Å; D186-A189 VanDerWaalsContact O-N 3.11Å; D186-V192 WeakPolarHBondContact O-CB 3.41Å; D186-V192 WeakPolarHBondContact O-CG2 3.34Å | ||
| 187 | F | 90.4 | Very high | 90.8 | Very high | 100 Ų | 100 | 75.1 Ų | 75.1 | 44% | 0.439 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -7.9 | 177.8 | -64.5 | -80.2 | 0 | 0 | 0 | 113.8 | N182 L185 V192 K193 I196 | N182-F187 HydrophobicContact CB-CE2 4.07Å; N182-F187 HydrophobicContact CB-CZ 3.84Å; N182-F187 WeakPolarHBondContact O-CE2 3.31Å; L185-F187 HydrophobicContact CB-CE2 4.23Å; L185-F187 HydrophobicContact CB-CZ 4.16Å; L185-F187 HydrophobicContact CD1-CZ 4.46Å; L185-F187 WeakPolarHBondContact O-CD2 3.11Å; L185-F187 PolarHBondContact O-N 3.34Å; F187-V192 HydrophobicContact CD1-CG1 4.47Å; F187-K193 WeakPolarHBondContact O-CE 3.46Å; F187-K193 WeakPolarHBondContact O-CG 3.28Å; F187-I196 HydrophobicContact CD1-CD1 3.74Å; F187-I196 HydrophobicContact CE1-CD1 3.56Å |
| 188 | S | 92.1 | Very high | 90.5 | Very high | 83 Ų | 83 | 78.1 Ų | 78.1 | 58% | 0.58 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -27.8 | 172.9 | 79.7 | 0 | 0 | 0 | 0 | 112.2 | D186 | D186-S188 VanDerWaalsContact CG-OG 3.27Å; D186-S188 PolarHBondContact O-N 2.95Å; D186-S188 VanDerWaalsContact O-N 3.13Å; D186-S188 WeakPolarHBondContact OD1-CA 3.18Å; D186-S188 VanDerWaalsContact OD1-CB 3.25Å; D186-S188 WeakPolarHBondContact OD1-CB 3.33Å; D186-S188 PolarHBondContact OD1-N 3.18Å; D186-S188 PolarHBondContact OD1-OG 2.89Å; D186-S188 PolarHBondContact OD2-OG 3.39Å |
| 189 | A | 94.4 | Very high | 90.2 | Very high | 32 Ų | 32 | 79.8 Ų | 79.8 | 26% | 0.264 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -66.7 | 134.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D186 E191 V192 K193 | D186-A189 HydrophobicContact CB-CB 4.2Å; D186-A189 WeakPolarHBondContact O-CB 3.38Å; D186-A189 PolarHBondContact O-N 3.48Å; D186-A189 VanDerWaalsContact O-N 3.11Å; A189-E191 VanDerWaalsContact C-N 3.31Å; A189-E191 PolarHBondContact O-N 3.44Å; A189-V192 HydrophobicContact CB-CG2 4.23Å; A189-V192 PolarHBondContact O-N 3.16Å; A189-K193 PolarHBondContact O-N 3.34Å; A189-K193 VanDerWaalsContact O-N 3.16Å |
| 190 | K | 92.8 | Very high | 89.5 | Confident | 157 Ų | 157 | 83.7 Ų | 83.7 | 68% | 0.683 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -58.3 | -43 | -178.7 | -174.3 | -178.7 | 174.8 | -173.6 | 0 | 111.9 | V192 K193 D194 | K190-V192 VanDerWaalsContact C-N 3.32Å; K190-V192 PolarHBondContact O-N 2.56Å; K190-K193 PolarHBondContact O-N 2.97Å; K190-D194 WeakPolarHBondContact CE-OD2 3.4Å; K190-D194 WeakPolarHBondContact CG-OD2 3.36Å; K190-D194 WeakPolarHBondContact O-CB 3.34Å; K190-D194 PolarHBondContact O-N 3.27Å |
| 191 | E | 89.5 | Confident | 89 | Confident | 152 Ų | 152 | 89.2 Ų | 89.2 | 71% | 0.71 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.8 | -39.2 | -178.9 | -61.5 | 178.9 | -172 | 0 | 0 | 113 | A189 R195 | A189-E191 VanDerWaalsContact C-N 3.31Å; A189-E191 PolarHBondContact O-N 3.44Å; E191-R195 VanDerWaalsContact O-CB 3.32Å; E191-R195 WeakPolarHBondContact O-CB 3.34Å; E191-R195 PolarHBondContact O-N 3.22Å |
| 192 | V | 90.3 | Very high | 88.6 | Confident | 16 Ų | 16 | 90.5 Ų | 90.5 | 10% | 0.097 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -70.2 | -43.9 | 178.3 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | L185 D186 F187 A189 K190 R195 I196 Y204 | L185-V192 HydrophobicContact CB-CG1 4.23Å; D186-V192 WeakPolarHBondContact O-CB 3.41Å; D186-V192 WeakPolarHBondContact O-CG2 3.34Å; F187-V192 HydrophobicContact CD1-CG1 4.47Å; A189-V192 HydrophobicContact CB-CG2 4.23Å; A189-V192 PolarHBondContact O-N 3.16Å; K190-V192 VanDerWaalsContact C-N 3.32Å; K190-V192 PolarHBondContact O-N 2.56Å; V192-R195 PolarHBondContact O-N 3.44Å; V192-I196 HydrophobicContact CG1-CD1 3.77Å; V192-I196 HydrophobicContact CG1-CG1 4.47Å; V192-I196 WeakPolarHBondContact O-CB 3.37Å; V192-I196 VanDerWaalsContact O-CG1 3.31Å; V192-I196 WeakPolarHBondContact O-CG1 3.33Å; V192-I196 PolarHBondContact O-N 2.95Å; V192-Y204 HydrophobicContact CG1-CD2 4.24Å; V192-Y204 HydrophobicContact CG1-CE2 4.33Å; V192-Y204 HydrophobicContact CG2-CE2 4.4Å |
| 193 | K | 90.3 | Very high | 88.5 | Confident | 116 Ų | 116 | 89.8 Ų | 89.8 | 50% | 0.504 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 175.5 | -69.1 | -179.4 | -175.8 | 175.5 | 0 | 112 | F187 A189 K190 R195 I196 G197 | F187-K193 WeakPolarHBondContact O-CE 3.46Å; F187-K193 WeakPolarHBondContact O-CG 3.28Å; A189-K193 PolarHBondContact O-N 3.34Å; A189-K193 VanDerWaalsContact O-N 3.16Å; K190-K193 PolarHBondContact O-N 2.97Å; K193-R195 VanDerWaalsContact C-N 3.28Å; K193-R195 PolarHBondContact O-N 3.02Å; K193-I196 PolarHBondContact O-N 3.24Å; K193-G197 PolarHBondContact O-N 3.12Å |
| 194 | D | 90.2 | Very high | 88.6 | Confident | 90 Ų | 90 | 83 Ų | 83 | 48% | 0.481 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 179.7 | -70.4 | -8.1 | 0 | 0 | 0 | 110.5 | K190 S198 | K190-D194 WeakPolarHBondContact CE-OD2 3.4Å; K190-D194 WeakPolarHBondContact CG-OD2 3.36Å; K190-D194 WeakPolarHBondContact O-CB 3.34Å; K190-D194 PolarHBondContact O-N 3.27Å; D194-S198 WeakPolarHBondContact O-CB 3.37Å; D194-S198 PolarHBondContact O-N 3.3Å; D194-S198 PolarHBondContact O-OG 2.95Å |
| 195 | R | 88.7 | Confident | 88.8 | Confident | 83 Ų | 83 | 76.6 Ų | 76.6 | 31% | 0.313 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -70.7 | -42.1 | 176.9 | -170.2 | 153.5 | -64.8 | 137.9 | 5.7 | 113.3 | E191 V192 K193 G197 S198 N199 Y204 L205 | E191-R195 VanDerWaalsContact O-CB 3.32Å; E191-R195 WeakPolarHBondContact O-CB 3.34Å; E191-R195 PolarHBondContact O-N 3.22Å; V192-R195 PolarHBondContact O-N 3.44Å; K193-R195 VanDerWaalsContact C-N 3.28Å; K193-R195 PolarHBondContact O-N 3.02Å; R195-G197 VanDerWaalsContact C-N 3.32Å; R195-S198 WeakPolarHBondContact CA-OG 3.35Å; R195-S198 PolarHBondContact O-OG 3.44Å; R195-N199 WeakPolarHBondContact CG-ND2 3.46Å; R195-N199 WeakPolarHBondContact O-CB 3.39Å; R195-N199 PolarHBondContact O-N 3.28Å; R195-N199 PolarHBondContact O-ND2 3.36Å; R195-Y204 HydrophobicContact CB-CD2 4.06Å; R195-Y204 HydrophobicContact CB-CE2 3.83Å; R195-Y204 HydrophobicContact CG-CD2 3.94Å; R195-Y204 HydrophobicContact CG-CE2 3.81Å; R195-Y204 PolarHBondContact NH1-OH 3.35Å; R195-L205 WeakPolarHBondContact CD-O 3.4Å |
| 196 | I | 89.1 | Confident | 88.8 | Confident | 37 Ų | 37 | 77.3 Ų | 77.3 | 19% | 0.19 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 175.5 | -72.1 | 170.2 | 0 | 0 | 0 | 110.6 | F187 V192 K193 G202 Y204 | F187-I196 HydrophobicContact CD1-CD1 3.74Å; F187-I196 HydrophobicContact CE1-CD1 3.56Å; V192-I196 HydrophobicContact CG1-CD1 3.77Å; V192-I196 HydrophobicContact CG1-CG1 4.47Å; V192-I196 WeakPolarHBondContact O-CB 3.37Å; V192-I196 VanDerWaalsContact O-CG1 3.31Å; V192-I196 WeakPolarHBondContact O-CG1 3.33Å; V192-I196 PolarHBondContact O-N 2.95Å; K193-I196 PolarHBondContact O-N 3.24Å; I196-G202 WeakPolarHBondContact CG2-O 3.44Å; I196-Y204 HydrophobicContact CG1-CD2 4.13Å |
| 197 | G | 85.9 | Confident | 88.8 | Confident | 70 Ų | 70 | 74.3 Ų | 74.3 | 72% | 0.722 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -74.3 | -22.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | K193 R195 | K193-G197 PolarHBondContact O-N 3.12Å; R195-G197 VanDerWaalsContact C-N 3.32Å |
| 198 | S | 86.1 | Confident | 88.9 | Confident | 95 Ų | 95 | 69.6 Ų | 69.6 | 66% | 0.664 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -92 | -19.4 | 178.2 | 50.3 | 0 | 0 | 0 | 0 | 113.9 | D194 R195 | D194-S198 WeakPolarHBondContact O-CB 3.37Å; D194-S198 PolarHBondContact O-N 3.3Å; D194-S198 PolarHBondContact O-OG 2.95Å; R195-S198 WeakPolarHBondContact CA-OG 3.35Å; R195-S198 PolarHBondContact O-OG 3.44Å |
| 199 | N | 87.2 | Confident | 89 | Confident | 49 Ų | 49 | 65.6 Ų | 65.6 | 26% | 0.262 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -89.3 | 158.3 | 179.1 | -80.3 | -47.2 | 0 | 0 | 0 | 112.4 | R195 Q203 L205 | R195-N199 WeakPolarHBondContact CG-ND2 3.46Å; R195-N199 WeakPolarHBondContact O-CB 3.39Å; R195-N199 PolarHBondContact O-N 3.28Å; R195-N199 PolarHBondContact O-ND2 3.36Å; N199-Q203 WeakPolarHBondContact CB-O 3.27Å; N199-Q203 PolarHBondContact ND2-O 3.01Å; N199-L205 HydrophobicContact CB-CB 4.43Å; N199-L205 HydrophobicContact CB-CG 4.46Å; N199-L205 PolarHBondContact ND2-N 3.05Å; N199-L205 PolarHBondContact ND2-O 3.27Å |
| 200 | V | 79.3 | Confident | 89.1 | Confident | 106 Ų | 106 | 64.1 Ų | 64.1 | 64% | 0.642 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -67.8 | 146 | 177.7 | -169.7 | 0 | 0 | 0 | 0 | 110.1 | G202 Q203 | V200-G202 PolarHBondContact O-N 3.03Å; V200-G202 VanDerWaalsContact O-N 3.08Å; V200-Q203 PolarHBondContact O-N 3.39Å |
| 201 | D | 80.8 | Confident | 89.2 | Confident | 140 Ų | 140 | 63 Ų | 63 | 75% | 0.749 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | 58.3 | 18.9 | 176.9 | -59.3 | -29.3 | 0 | 0 | 0 | 115.9 | Q203 | D201-Q203 HydrophobicContact CB-CG 4.18Å; D201-Q203 PolarHBondContact O-N 3.4Å |
| 202 | G | 83.2 | Confident | 89.5 | Confident | 45 Ų | 45 | 56 Ų | 56 | 46% | 0.464 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | 63.5 | 28.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | I196 V200 | I196-G202 WeakPolarHBondContact CG2-O 3.44Å; V200-G202 PolarHBondContact O-N 3.03Å; V200-G202 VanDerWaalsContact O-N 3.08Å |
| 203 | Q | 88 | Confident | 89.7 | Confident | 67 Ų | 67 | 55.2 Ų | 55.2 | 31% | 0.313 | 31% | 0.31 | S | S | . | . | trans | -92.9 | 146.7 | 179.9 | -64.8 | -172.3 | 11.7 | 0 | 0 | 111.5 | Q178 N199 V200 D201 L205 | Q178-Q203 HydrophobicContact CB-CB 4.28Å; N199-Q203 WeakPolarHBondContact CB-O 3.27Å; N199-Q203 PolarHBondContact ND2-O 3.01Å; V200-Q203 PolarHBondContact O-N 3.39Å; D201-Q203 HydrophobicContact CB-CG 4.18Å; D201-Q203 PolarHBondContact O-N 3.4Å; Q203-L205 VanDerWaalsContact C-N 3.27Å; Q203-L205 HydrophobicContact CB-CD2 4.09Å; Q203-L205 HydrophobicContact CB-CG 4.04Å; Q203-L205 PolarHBondContact O-N 3.47Å | ||
| 204 | Y | 90.9 | Very high | 89.9 | Confident | 28 Ų | 28 | 50.3 Ų | 50.3 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | trans | -81.3 | 75.2 | 171.1 | -171.3 | -96 | 0 | 0 | 0 | 110.2 | Q178 L185 V192 R195 I196 M206 | Q178-Y204 WeakPolarHBondContact CG-O 3.13Å; L185-Y204 HydrophobicContact CD1-CD1 4.04Å; L185-Y204 HydrophobicContact CD1-CD2 4.27Å; L185-Y204 HydrophobicContact CD1-CG 3.73Å; L185-Y204 HydrophobicContact CD2-CD1 3.76Å; L185-Y204 HydrophobicContact CD2-CD2 4.26Å; L185-Y204 HydrophobicContact CD2-CE1 3.76Å; L185-Y204 HydrophobicContact CD2-CE2 4.26Å; L185-Y204 HydrophobicContact CD2-CG 4.03Å; V192-Y204 HydrophobicContact CG1-CD2 4.24Å; V192-Y204 HydrophobicContact CG1-CE2 4.33Å; V192-Y204 HydrophobicContact CG2-CE2 4.4Å; R195-Y204 HydrophobicContact CB-CD2 4.06Å; R195-Y204 HydrophobicContact CB-CE2 3.83Å; R195-Y204 HydrophobicContact CG-CD2 3.94Å; R195-Y204 HydrophobicContact CG-CE2 3.81Å; R195-Y204 PolarHBondContact NH1-OH 3.35Å; I196-Y204 HydrophobicContact CG1-CD2 4.13Å; Y204-M206 HydrophobicContact CD1-SD 4.49Å; Y204-M206 HydrophobicContact CE1-CE 4.48Å; Y204-M206 HydrophobicContact CE1-SD 3.87Å | ||
| 205 | L | 92.4 | Very high | 90 | Very high | 29 Ų | 29 | 47.8 Ų | 47.8 | 15% | 0.152 | 28% | 0.277 | C | S | . | . | trans | -83.3 | 143.9 | 174.3 | -55.9 | -179.6 | 0 | 0 | 0 | 110.3 | Q178 R195 N199 Q203 | Q178-L205 HydrophobicContact CB-CD2 4.34Å; R195-L205 WeakPolarHBondContact CD-O 3.4Å; N199-L205 HydrophobicContact CB-CB 4.43Å; N199-L205 HydrophobicContact CB-CG 4.46Å; N199-L205 PolarHBondContact ND2-N 3.05Å; N199-L205 PolarHBondContact ND2-O 3.27Å; Q203-L205 VanDerWaalsContact C-N 3.27Å; Q203-L205 HydrophobicContact CB-CD2 4.09Å; Q203-L205 HydrophobicContact CB-CG 4.04Å; Q203-L205 PolarHBondContact O-N 3.47Å | ||
| 206 | M | 91.4 | Very high | 90 | Very high | 36 Ų | 36 | 49.3 Ų | 49.3 | 18% | 0.177 | 30% | 0.298 | C | S | . | . | trans | -147.1 | 148.5 | 179.8 | 65.4 | -169.2 | -51.6 | 0 | 0 | 110.9 | W179 V180 Y204 G208 Y225 | W179-M206 HydrophobicContact CZ2-SD 4.41Å; V180-M206 HydrophobicContact CG2-SD 3.87Å; Y204-M206 HydrophobicContact CD1-SD 4.49Å; Y204-M206 HydrophobicContact CE1-CE 4.48Å; Y204-M206 HydrophobicContact CE1-SD 3.87Å; M206-G208 PolarHBondContact O-N 3.09Å; M206-Y225 HydrophobicContact CE-CD1 3.22Å; M206-Y225 HydrophobicContact CE-CE1 3.3Å; M206-Y225 HydrophobicContact CE-CG 4.26Å; M206-Y225 HydrophobicContact SD-CD1 4.29Å; M206-Y225 HydrophobicContact SD-CE1 3.98Å | ||
| 207 | D | 91.4 | Very high | 90 | Very high | 30 Ų | 30 | 52.1 Ų | 52.1 | 16% | 0.16 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -70.3 | 81 | 167.3 | 174.9 | 14.7 | 0 | 0 | 0 | 108.9 | F175 Y225 Q226 M227 T228 | F175-D207 VanDerWaalsContact CE2-OD1 3.3Å; F175-D207 WeakPolarHBondContact CE2-OD1 3.15Å; F175-D207 WeakPolarHBondContact CZ-OD1 3.03Å; D207-Y225 CarbonylContact O-C 3.36Å; D207-Y225 WeakPolarHBondContact O-CA 3.44Å; D207-Q226 PolarHBondContact O-N 3.17Å; D207-Q226 WeakPolarHBondContact OD2-CA 3.45Å; D207-M227 VanDerWaalsContact CG-N 3.29Å; D207-M227 WeakPolarHBondContact OD1-CB 3.01Å; D207-M227 PolarHBondContact OD1-N 3.26Å; D207-M227 PolarHBondContact OD2-N 2.89Å; D207-T228 WeakPolarHBondContact OD2-CB 3.33Å; D207-T228 PolarHBondContact OD2-N 3.4Å; D207-T228 PolarHBondContact OD2-OG1 3.05Å |
| 208 | G | 92.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -172.4 | 162.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | F175 W179 M206 Q224 | F175-G208 WeakPolarHBondContact CD1-O 3.15Å; W179-G208 PolarHBondContact NE1-O 3.14Å; W179-G208 VanDerWaalsContact NE1-O 3.16Å; M206-G208 PolarHBondContact O-N 3.09Å; G208-Q224 CarbonylContact C-O 3.58Å; G208-Q224 WeakPolarHBondContact CA-O 3.3Å |
| 209 | V | 95.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -125.6 | 156.4 | -175.2 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | Y171 W174 F175 W179 C213 Q224 M227 V245 | Y171-V209 HydrophobicContact CD2-CG1 4.14Å; Y171-V209 WeakPolarHBondContact O-CG1 3.14Å; W174-V209 HydrophobicContact CB-CG1 4.17Å; W174-V209 HydrophobicContact CG-CG1 4.39Å; F175-V209 HydrophobicContact CE1-CG1 3.96Å; W179-V209 VanDerWaalsContact CZ2-C 3.4Å; W179-V209 WeakPolarHBondContact CZ2-O 3.32Å; V209-C213 HydrophobicContact CB-CB 4.14Å; V209-C213 HydrophobicContact CG2-CB 3.95Å; V209-Q224 HydrophobicContact CG2-CG 4.45Å; V209-Q224 PolarHBondContact N-O 3.32Å; V209-Q224 WeakPolarHBondContact O-CB 3.05Å; V209-M227 HydrophobicContact CB-SD 4.47Å; V209-M227 HydrophobicContact CG1-SD 3.8Å; V209-M227 HydrophobicContact CG2-SD 4Å; V209-V245 HydrophobicContact CG2-CG1 3.93Å | ||
| 210 | P | 95.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | trans | -64.5 | 154.7 | 169.7 | -19.4 | 31.7 | 0 | 0 | 0 | 112.8 | Y141 W174 W179 S212 C213 | Y141-P210 HydrophobicContact CE1-CB 4.27Å; Y141-P210 HydrophobicContact CE1-CG 4Å; Y141-P210 WeakPolarHBondContact OH-CB 3.3Å; W174-P210 HydrophobicContact CD2-CG 3.85Å; W174-P210 HydrophobicContact CE3-CG 4.02Å; W174-P210 HydrophobicContact CG-CG 4.49Å; W174-P210 HydrophobicContact CH2-CG 3.86Å; W174-P210 HydrophobicContact CZ2-CG 3.67Å; W174-P210 HydrophobicContact CZ3-CG 4.04Å; W179-P210 HydrophobicContact CD2-CG 3.94Å; W179-P210 HydrophobicContact CE3-CB 4.4Å; W179-P210 HydrophobicContact CE3-CG 3.89Å; W179-P210 HydrophobicContact CG-CG 4.44Å; W179-P210 HydrophobicContact CH2-CG 4.48Å; W179-P210 HydrophobicContact CZ3-CB 4.23Å; W179-P210 HydrophobicContact CZ3-CG 4.17Å; P210-S212 PolarHBondContact O-N 3.36Å; P210-S212 VanDerWaalsContact O-N 3.12Å; P210-C213 WeakPolarHBondContact O-CB 3.42Å; P210-C213 PolarHBondContact O-N 3.38Å | ||
| 211 | F | 94.3 | Very high | 90 | Very high | 134 Ų | 134 | 52.7 Ų | 52.7 | 59% | 0.588 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -55 | -31 | 177.9 | 173.2 | -99.8 | 0 | 0 | 0 | 114.1 | C213 C214 | F211-C213 PolarHBondContact O-N 3Å; F211-C213 VanDerWaalsContact O-N 3.15Å; F211-C214 WeakPolarHBondContact O-CB 3.44Å; F211-C214 PolarHBondContact O-N 2.65Å; F211-C214 PolarHBondContact O-SG 3.07Å |
| 212 | S | 95.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -63.3 | -17.6 | 178.8 | 44.1 | 0 | 0 | 0 | 0 | 114 | D157 Q160 P210 C214 | D157-S212 VanDerWaalsContact OD1-CB 3.26Å; D157-S212 WeakPolarHBondContact OD1-CB 3.42Å; D157-S212 PolarHBondContact OD1-OG 3.2Å; Q160-S212 PolarHBondContact OE1-OG 3.23Å; P210-S212 PolarHBondContact O-N 3.36Å; P210-S212 VanDerWaalsContact O-N 3.12Å; S212-C214 VanDerWaalsContact C-N 3.31Å |
| 213 | C | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -78.4 | -11.8 | 172.5 | -73.2 | 0 | 0 | 0 | 0 | 114.2 | Q160 C166 W174 V209 P210 F211 V245 W246 | Q160-C213 PolarHBondContact OE1-SG 3.03Å; C166-C213 HydrophobicContact CB-CB 3.65Å; C166-C213 WeakPolarHBondContact CB-SG 3.41Å; C166-C213 WeakPolarHBondContact SG-CB 3.17Å; C166-C213 CovalentContact SG-SG 2.02Å; C166-C213 PolarHBondContact SG-SG 2.85Å; W174-C213 PolarHBondContact NE1-SG 3.22Å; W174-C213 VanDerWaalsContact NE1-SG 3.4Å; V209-C213 HydrophobicContact CB-CB 4.14Å; V209-C213 HydrophobicContact CG2-CB 3.95Å; P210-C213 WeakPolarHBondContact O-CB 3.42Å; P210-C213 PolarHBondContact O-N 3.38Å; F211-C213 PolarHBondContact O-N 3Å; F211-C213 VanDerWaalsContact O-N 3.15Å; C213-V245 HydrophobicContact CB-CB 4.48Å; C213-V245 CarbonylContact O-C 3.6Å; C213-V245 WeakPolarHBondContact O-CA 3.4Å; C213-V245 WeakPolarHBondContact O-CB 3.46Å; C213-W246 PolarHBondContact O-N 2.88Å |
| 214 | C | 93.9 | Very high | 90.9 | Very high | 14 Ų | 14 | 45.3 Ų | 45.3 | 10% | 0.095 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -65.6 | 137 | -176.8 | -64.8 | 0 | 0 | 0 | 0 | 112.3 | F211 S212 P216 C222 W246 | F211-C214 WeakPolarHBondContact O-CB 3.44Å; F211-C214 PolarHBondContact O-N 2.65Å; F211-C214 PolarHBondContact O-SG 3.07Å; S212-C214 VanDerWaalsContact C-N 3.31Å; C214-P216 WeakPolarHBondContact O-CD 3.35Å; C214-C222 HydrophobicContact CB-CB 3.62Å; C214-C222 WeakPolarHBondContact CB-SG 3.18Å; C214-C222 WeakPolarHBondContact SG-CB 3.39Å; C214-C222 CovalentContact SG-SG 2.01Å; C214-C222 PolarHBondContact SG-SG 2.85Å; C214-W246 PolarHBondContact O-NE1 2.77Å |
| 215 | N | 92.2 | Very high | 90.9 | Very high | 36 Ų | 36 | 49 Ų | 49 | 19% | 0.193 | 28% | 0.276 | C | S | . | . | trans | -90.6 | 111 | 172.8 | 179.4 | 0.2 | 0 | 0 | 0 | 109.7 | S217 S218 N244 W246 | N215-S217 PolarHBondContact O-N 3.02Å; N215-S217 VanDerWaalsContact OD1-CB 3.27Å; N215-S217 WeakPolarHBondContact OD1-CB 3.17Å; N215-S217 PolarHBondContact OD1-N 3.13Å; N215-S217 PolarHBondContact OD1-OG 3.42Å; N215-S217 VanDerWaalsContact OD1-OG 3.11Å; N215-S218 VanDerWaalsContact O-CB 3.32Å; N215-S218 WeakPolarHBondContact O-CB 3.32Å; N215-S218 PolarHBondContact O-N 3.1Å; N215-S218 VanDerWaalsContact O-N 3.14Å; N215-N244 PolarHBondContact N-O 3Å; N215-W246 HydrophobicContact CB-CD2 4.14Å; N215-W246 HydrophobicContact CB-CE3 4.22Å; N215-W246 HydrophobicContact CB-CH2 4.18Å; N215-W246 HydrophobicContact CB-CZ2 4.11Å; N215-W246 HydrophobicContact CB-CZ3 4.23Å; N215-W246 VanDerWaalsContact CG-CH2 3.49Å; N215-W246 WeakPolarHBondContact OD1-CH2 3.27Å | ||
| 216 | P | 89.6 | Confident | 90.8 | Very high | 116 Ų | 116 | 51.5 Ų | 51.5 | 75% | 0.753 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -13.5 | -178.6 | 30.7 | -35.9 | 0 | 0 | 0 | 113.3 | C214 | C214-P216 WeakPolarHBondContact O-CD 3.35Š|
| 217 | S | 87.3 | Confident | 90.6 | Very high | 96 Ų | 96 | 49.8 Ų | 49.8 | 67% | 0.671 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -6.7 | 176.8 | -37.3 | 0 | 0 | 0 | 0 | 112.3 | N215 | N215-S217 PolarHBondContact O-N 3.02Å; N215-S217 VanDerWaalsContact OD1-CB 3.27Å; N215-S217 WeakPolarHBondContact OD1-CB 3.17Å; N215-S217 PolarHBondContact OD1-N 3.13Å; N215-S217 PolarHBondContact OD1-OG 3.42Å; N215-S217 VanDerWaalsContact OD1-OG 3.11Å |
| 218 | S | 85.6 | Confident | 90.5 | Very high | 24 Ų | 24 | 51.8 Ų | 51.8 | 17% | 0.168 | 29% | 0.292 | C | S | . | . | trans | -69.9 | 135.5 | -179.4 | -169.3 | 0 | 0 | 0 | 0 | 110.7 | N215 R220 N244 | N215-S218 VanDerWaalsContact O-CB 3.32Å; N215-S218 WeakPolarHBondContact O-CB 3.32Å; N215-S218 PolarHBondContact O-N 3.1Å; N215-S218 VanDerWaalsContact O-N 3.14Å; S218-R220 PolarHBondContact O-N 2.67Å; S218-N244 VanDerWaalsContact OG-CB 3.32Å; S218-N244 WeakPolarHBondContact OG-CB 3.41Å | ||
| 219 | P | 83.6 | Confident | 90.3 | Very high | 139 Ų | 139 | 54.6 Ų | 54.6 | 90% | 0.903 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -71.4 | -8.5 | 178.8 | 29.9 | -36 | 0 | 0 | 0 | 113.4 | ||
| 220 | R | 83.1 | Confident | 89.8 | Confident | 55 Ų | 55 | 57.6 Ų | 57.6 | 21% | 0.208 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -112.4 | 152.7 | 179.5 | 66.7 | -179.3 | -59.7 | 153.2 | 10.5 | 111.5 | S218 I223 Y234 S235 E241 N244 | S218-R220 PolarHBondContact O-N 2.67Å; R220-I223 VanDerWaalsContact CZ-CD1 3.45Å; R220-I223 VanDerWaalsContact NH2-CD1 3.29Å; R220-Y234 PolarHBondContact NH2-O 3.05Å; R220-S235 PolarHBondContact NH1-O 2.95Å; R220-E241 WeakPolarHBondContact CD-OE1 3.48Å; R220-E241 IonicContact CZ-OE1 3.95Å; R220-E241 IonicContact NE-OE1 3.66Å; R220-E241 IonicContact NH1-OE1 2.67Å; R220-E241 PolarHBondContact NH1-OE1 2.91Å; R220-E241 IonicContact NH1-OE2 2.67Å; R220-E241 PolarHBondContact NH1-OE2 3.45Å; R220-N244 HydrophobicContact CG-CB 4.02Å |
| 221 | P | 86.7 | Confident | 89.5 | Confident | 114 Ų | 114 | 62.6 Ų | 62.6 | 74% | 0.74 | 36% | 0.358 | S | S | * | . | trans | -53.2 | 146.1 | 169.8 | -25 | 34.6 | 0 | 0 | 0 | 111.4 | I223 N244 | P221-I223 PolarHBondContact O-N 2.75Å; P221-N244 PolarHBondContact O-ND2 3.14Å | ||
| 222 | C | 89.6 | Confident | 89.1 | Confident | 41 Ų | 41 | 58.2 Ų | 58.2 | 28% | 0.277 | 35% | 0.346 | S | S | . | . | trans | -68 | 124.3 | -178.3 | -175.1 | 0 | 0 | 0 | 0 | 111.6 | C214 N244 | C214-C222 HydrophobicContact CB-CB 3.62Å; C214-C222 WeakPolarHBondContact CB-SG 3.18Å; C214-C222 WeakPolarHBondContact SG-CB 3.39Å; C214-C222 CovalentContact SG-SG 2.01Å; C214-C222 PolarHBondContact SG-SG 2.85Å; C222-N244 WeakPolarHBondContact CA-ND2 3.26Å | ||
| 223 | I | 89.6 | Confident | 88.7 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 6% | 0.062 | 36% | 0.357 | C | S | . | . | trans | -93.5 | 114 | 174.4 | -67.8 | 167.1 | 0 | 0 | 0 | 106.3 | R220 P221 Y225 M227 H233 Y236 N244 | R220-I223 VanDerWaalsContact CZ-CD1 3.45Å; R220-I223 VanDerWaalsContact NH2-CD1 3.29Å; P221-I223 PolarHBondContact O-N 2.75Å; I223-Y225 VanDerWaalsContact CG2-O 3.29Å; I223-Y225 WeakPolarHBondContact CG2-O 3.41Å; I223-M227 HydrophobicContact CG2-CG 4.33Å; I223-H233 HydrophobicContact CD1-CB 4.02Å; I223-H233 VanDerWaalsContact CG2-NE2 3.26Å; I223-H233 WeakPolarHBondContact CG2-NE2 2.95Å; I223-Y236 HydrophobicContact CD1-CD2 3.76Å; I223-Y236 HydrophobicContact CD1-CE2 3.85Å; I223-Y236 HydrophobicContact CD1-CG 4.41Å; I223-N244 WeakPolarHBondContact CB-ND2 3.29Å; I223-N244 WeakPolarHBondContact CG1-ND2 3.45Å; I223-N244 PolarHBondContact N-ND2 3.04Å | ||
| 224 | Q | 92.4 | Very high | 88.2 | Confident | 43 Ų | 43 | 71.1 Ų | 71.1 | 20% | 0.201 | 40% | 0.398 | C | S | . | . | trans | -104.5 | -11.8 | 179.5 | -74.3 | 166.2 | 69.8 | 0 | 0 | 112.7 | G208 V209 | G208-Q224 CarbonylContact C-O 3.58Å; G208-Q224 WeakPolarHBondContact CA-O 3.3Å; V209-Q224 HydrophobicContact CG2-CG 4.45Å; V209-Q224 PolarHBondContact N-O 3.32Å; V209-Q224 WeakPolarHBondContact O-CB 3.05Å | ||
| 225 | Y | 91.4 | Very high | 87.7 | Confident | 106 Ų | 106 | 75 Ų | 75 | 42% | 0.416 | 43% | 0.426 | S | S | . | . | B | Isolated β-bridge | trans | -136.7 | 153.7 | -170.6 | -54.5 | -63 | 0 | 0 | 0 | 111 | W179 M206 D207 I223 M227 H233 | W179-Y225 HydrophobicContact CH2-CE1 4.27Å; W179-Y225 HydrophobicContact CZ2-CE1 4.22Å; M206-Y225 HydrophobicContact CE-CD1 3.22Å; M206-Y225 HydrophobicContact CE-CE1 3.3Å; M206-Y225 HydrophobicContact CE-CG 4.26Å; M206-Y225 HydrophobicContact SD-CD1 4.29Å; M206-Y225 HydrophobicContact SD-CE1 3.98Å; D207-Y225 CarbonylContact O-C 3.36Å; D207-Y225 WeakPolarHBondContact O-CA 3.44Å; I223-Y225 VanDerWaalsContact CG2-O 3.29Å; I223-Y225 WeakPolarHBondContact CG2-O 3.41Å; Y225-M227 PolarHBondContact O-N 3.41Å; Y225-H233 PolarHBondContact O-NE2 3.17Å |
| 226 | Q | 89.8 | Confident | 87.2 | Confident | 81 Ų | 81 | 74 Ų | 74 | 38% | 0.379 | 42% | 0.419 | S | S | . | . | trans | 56.2 | 39.8 | 179.2 | -60 | -71.3 | -34 | 0 | 0 | 111.8 | D207 T228 N229 A232 | D207-Q226 PolarHBondContact O-N 3.17Å; D207-Q226 WeakPolarHBondContact OD2-CA 3.45Å; Q226-T228 VanDerWaalsContact C-N 3.27Å; Q226-T228 PolarHBondContact O-N 2.73Å; Q226-N229 HydrophobicContact CB-CB 4.3Å; Q226-N229 PolarHBondContact O-N 2.86Å; Q226-A232 HydrophobicContact CB-CB 3.53Å; Q226-A232 HydrophobicContact CG-CB 4.23Å | ||
| 227 | M | 87.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -19.1 | -173.4 | -57.3 | 177.7 | 56.5 | 0 | 0 | 113.4 | Y171 F175 D207 V209 I223 Y225 Y236 H238 L243 V245 | Y171-M227 HydrophobicContact CD2-CE 3.44Å; Y171-M227 VanDerWaalsContact CD2-CE 3.44Å; Y171-M227 HydrophobicContact CD2-SD 4.24Å; Y171-M227 HydrophobicContact CE2-CE 3.36Å; Y171-M227 HydrophobicContact CE2-SD 4.34Å; Y171-M227 HydrophobicContact CG-CE 4.36Å; F175-M227 HydrophobicContact CE1-SD 3.98Å; F175-M227 HydrophobicContact CZ-CB 4.22Å; F175-M227 HydrophobicContact CZ-CG 4.49Å; F175-M227 HydrophobicContact CZ-SD 3.86Å; D207-M227 VanDerWaalsContact CG-N 3.29Å; D207-M227 WeakPolarHBondContact OD1-CB 3.01Å; D207-M227 PolarHBondContact OD1-N 3.26Å; D207-M227 PolarHBondContact OD2-N 2.89Å; V209-M227 HydrophobicContact CB-SD 4.47Å; V209-M227 HydrophobicContact CG1-SD 3.8Å; V209-M227 HydrophobicContact CG2-SD 4Å; I223-M227 HydrophobicContact CG2-CG 4.33Å; Y225-M227 PolarHBondContact O-N 3.41Å; M227-Y236 WeakPolarHBondContact CA-OH 3.07Å; M227-Y236 WeakPolarHBondContact O-CE1 3.3Å; M227-Y236 PolarHBondContact O-OH 3.34Å; M227-H238 WeakPolarHBondContact O-CB 3.34Å; M227-L243 HydrophobicContact CE-CD2 4.03Å; M227-V245 HydrophobicContact CE-CG1 4.43Å; M227-V245 HydrophobicContact CE-CG2 3.7Å |
| 228 | T | 88 | Confident | 86.5 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 45% | 0.448 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -6.9 | 176.3 | 61.7 | 0 | 0 | 0 | 0 | 112.5 | F175 D207 Q226 | F175-T228 HydrophobicContact CE2-CG2 4.08Å; D207-T228 WeakPolarHBondContact OD2-CB 3.33Å; D207-T228 PolarHBondContact OD2-N 3.4Å; D207-T228 PolarHBondContact OD2-OG1 3.05Å; Q226-T228 VanDerWaalsContact C-N 3.27Å; Q226-T228 PolarHBondContact O-N 2.73Å |
| 229 | N | 88.8 | Confident | 86 | Confident | 58 Ų | 58 | 74.2 Ų | 74.2 | 31% | 0.31 | 39% | 0.392 | S | S | . | . | trans | -99.6 | 100.4 | -177.6 | -174.5 | -8.6 | 0 | 0 | 0 | 111.2 | Q226 S231 A232 | Q226-N229 HydrophobicContact CB-CB 4.3Å; Q226-N229 PolarHBondContact O-N 2.86Å; N229-S231 PolarHBondContact O-N 3.34Å; N229-S231 VanDerWaalsContact O-N 3.12Å; N229-S231 PolarHBondContact OD1-N 3.15Å; N229-S231 PolarHBondContact OD1-OG 2.72Å; N229-A232 HydrophobicContact CB-CB 3.88Å; N229-A232 WeakPolarHBondContact O-CB 3.46Å; N229-A232 PolarHBondContact O-N 3.39Å | ||
| 230 | N | 85.6 | Confident | 85.2 | Confident | 64 Ų | 64 | 73 Ų | 73 | 34% | 0.342 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -23.4 | 179.3 | -74.8 | 3.3 | 0 | 0 | 0 | 114.1 | D237 H238 | N230-D237 PolarHBondContact ND2-OD1 3.03Å; N230-H238 VanDerWaalsContact OD1-CB 3.3Å; N230-H238 WeakPolarHBondContact OD1-CB 3.16Å; N230-H238 PolarHBondContact OD1-N 2.9Å |
| 231 | S | 88 | Confident | 84.3 | Confident | 106 Ų | 106 | 73 Ų | 73 | 74% | 0.741 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -10.7 | 179 | 69.3 | 0 | 0 | 0 | 0 | 114 | N229 H233 | N229-S231 PolarHBondContact O-N 3.34Å; N229-S231 VanDerWaalsContact O-N 3.12Å; N229-S231 PolarHBondContact OD1-N 3.15Å; N229-S231 PolarHBondContact OD1-OG 2.72Å; S231-H233 VanDerWaalsContact C-N 3.32Å; S231-H233 PolarHBondContact O-N 2.93Å |
| 232 | A | 87.6 | Confident | 83.2 | Confident | 42 Ų | 42 | 76 Ų | 76 | 35% | 0.347 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -74.9 | -22.1 | -174 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q226 N229 | Q226-A232 HydrophobicContact CB-CB 3.53Å; Q226-A232 HydrophobicContact CG-CB 4.23Å; N229-A232 HydrophobicContact CB-CB 3.88Å; N229-A232 WeakPolarHBondContact O-CB 3.46Å; N229-A232 PolarHBondContact O-N 3.39Å |
| 233 | H | 85.7 | Confident | 82 | Confident | 55 Ų | 55 | 74.4 Ų | 74.4 | 26% | 0.255 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -131.7 | 145 | -174.8 | -58.7 | -73.9 | 0 | 0 | 0 | 110.8 | I223 Y225 S231 S235 Y236 | I223-H233 HydrophobicContact CD1-CB 4.02Å; I223-H233 VanDerWaalsContact CG2-NE2 3.26Å; I223-H233 WeakPolarHBondContact CG2-NE2 2.95Å; Y225-H233 PolarHBondContact O-NE2 3.17Å; S231-H233 VanDerWaalsContact C-N 3.32Å; S231-H233 PolarHBondContact O-N 2.93Å; H233-S235 PolarHBondContact O-N 3.17Å; H233-Y236 HydrophobicContact CB-CD1 4.22Å; H233-Y236 HydrophobicContact CB-CG 3.9Å; H233-Y236 AromaticContact CD2-CD1 3.93Å; H233-Y236 WeakPolarHBondContact O-CB 3.42Å |
| 234 | Y | 85.5 | Confident | 81.7 | Confident | 218 Ų | 218 | 73.9 Ų | 73.9 | 86% | 0.855 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 129.9 | 175.9 | 179.3 | -95.6 | 0 | 0 | 0 | 110.5 | R220 Y236 | R220-Y234 PolarHBondContact NH2-O 3.05Å; Y234-Y236 PolarHBondContact O-N 3.45Å |
| 235 | S | 83.9 | Confident | 81.7 | Confident | 96 Ų | 96 | 72 Ų | 72 | 67% | 0.671 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 57 | 178.6 | -173.8 | 0 | 0 | 0 | 0 | 112.1 | R220 H233 | R220-S235 PolarHBondContact NH1-O 2.95Å; H233-S235 PolarHBondContact O-N 3.17Å |
| 236 | Y | 82.4 | Confident | 81.7 | Confident | 15 Ų | 15 | 68.8 Ų | 68.8 | 6% | 0.059 | 35% | 0.353 | C | S | . | . | trans | -123 | 126.6 | -177.1 | -177.6 | -114.8 | 0 | 0 | 0 | 110.9 | I223 M227 H233 Y234 H238 E241 L243 | I223-Y236 HydrophobicContact CD1-CD2 3.76Å; I223-Y236 HydrophobicContact CD1-CE2 3.85Å; I223-Y236 HydrophobicContact CD1-CG 4.41Å; M227-Y236 WeakPolarHBondContact CA-OH 3.07Å; M227-Y236 WeakPolarHBondContact O-CE1 3.3Å; M227-Y236 PolarHBondContact O-OH 3.34Å; H233-Y236 HydrophobicContact CB-CD1 4.22Å; H233-Y236 HydrophobicContact CB-CG 3.9Å; H233-Y236 AromaticContact CD2-CD1 3.93Å; H233-Y236 WeakPolarHBondContact O-CB 3.42Å; Y234-Y236 PolarHBondContact O-N 3.45Å; Y236-H238 HydrophobicContact CE1-CB 4.28Å; Y236-E241 WeakPolarHBondContact CD2-OE2 3.31Å; Y236-L243 WeakPolarHBondContact OH-CD2 3.44Å | ||
| 237 | D | 82.8 | Confident | 81.6 | Confident | 49 Ų | 49 | 70.9 Ų | 70.9 | 26% | 0.262 | 36% | 0.358 | S | S | . | . | trans | -132.6 | 108.9 | 169.2 | 178.3 | 16.7 | 0 | 0 | 0 | 109.8 | N230 Y239 T240 E241 | N230-D237 PolarHBondContact ND2-OD1 3.03Å; D237-Y239 PolarHBondContact O-N 2.94Å; D237-Y239 VanDerWaalsContact O-N 3.1Å; D237-Y239 PolarHBondContact OD1-N 3.43Å; D237-Y239 VanDerWaalsContact OD1-N 3.13Å; D237-T240 WeakPolarHBondContact CB-OG1 3.27Å; D237-T240 VanDerWaalsContact CG-OG1 3.29Å; D237-T240 PolarHBondContact O-N 3.25Å; D237-T240 WeakPolarHBondContact OD2-CB 3.5Å; D237-T240 VanDerWaalsContact OD2-CG2 3.25Å; D237-T240 WeakPolarHBondContact OD2-CG2 3.48Å; D237-T240 PolarHBondContact OD2-OG1 3.38Å; D237-E241 WeakPolarHBondContact O-CB 3.16Å; D237-E241 PolarHBondContact O-N 2.98Å | ||
| 238 | H | 78.2 | Confident | 81.9 | Confident | 10 Ų | 10 | 75.6 Ų | 75.6 | 5% | 0.046 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -31.2 | -179.5 | 166.6 | 40.8 | 0 | 0 | 0 | 113.2 | Y171 R172 M227 N230 Y236 | Y171-H238 PolarHBondContact OH-CE1 3.2Å; R172-H238 PolarHBondContact NH2-CE1 3.4Å; R172-H238 VanDerWaalsContact NH2-CE1 3.32Å; R172-H238 PolarHBondContact NH2-NE2 2.86Å; M227-H238 WeakPolarHBondContact O-CB 3.34Å; N230-H238 VanDerWaalsContact OD1-CB 3.3Å; N230-H238 WeakPolarHBondContact OD1-CB 3.16Å; N230-H238 PolarHBondContact OD1-N 2.9Å; Y236-H238 HydrophobicContact CE1-CB 4.28Å |
| 239 | Y | 74.6 | Confident | 82.3 | Confident | 182 Ų | 182 | 72.3 Ų | 72.3 | 71% | 0.714 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -40.6 | -174 | -66 | -79.1 | 0 | 0 | 0 | 113.6 | D237 | D237-Y239 PolarHBondContact O-N 2.94Å; D237-Y239 VanDerWaalsContact O-N 3.1Å; D237-Y239 PolarHBondContact OD1-N 3.43Å; D237-Y239 VanDerWaalsContact OD1-N 3.13Å |
| 240 | T | 68 | Low | 82.6 | Confident | 113 Ų | 113 | 69.5 Ų | 69.5 | 69% | 0.693 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -22.7 | -172 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | D237 | D237-T240 WeakPolarHBondContact CB-OG1 3.27Å; D237-T240 VanDerWaalsContact CG-OG1 3.29Å; D237-T240 PolarHBondContact O-N 3.25Å; D237-T240 WeakPolarHBondContact OD2-CB 3.5Å; D237-T240 VanDerWaalsContact OD2-CG2 3.25Å; D237-T240 WeakPolarHBondContact OD2-CG2 3.48Å; D237-T240 PolarHBondContact OD2-OG1 3.38Å |
| 241 | E | 64.4 | Low | 83 | Confident | 54 Ų | 54 | 69.4 Ų | 69.4 | 25% | 0.252 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -83.5 | 129.6 | -172.6 | -153.2 | 172 | -177.3 | 0 | 0 | 111.5 | R220 Y236 D237 L243 R247 | R220-E241 WeakPolarHBondContact CD-OE1 3.48Å; R220-E241 IonicContact CZ-OE1 3.95Å; R220-E241 IonicContact NE-OE1 3.66Å; R220-E241 IonicContact NH1-OE1 2.67Å; R220-E241 PolarHBondContact NH1-OE1 2.91Å; R220-E241 IonicContact NH1-OE2 2.67Å; R220-E241 PolarHBondContact NH1-OE2 3.45Å; Y236-E241 WeakPolarHBondContact CD2-OE2 3.31Å; D237-E241 WeakPolarHBondContact O-CB 3.16Å; D237-E241 PolarHBondContact O-N 2.98Å; E241-L243 PolarHBondContact O-N 2.91Å; E241-R247 PolarHBondContact O-NH2 3.29Å |
| 242 | E | 63.5 | Low | 83.4 | Confident | 179 Ų | 179 | 69.4 Ų | 69.4 | 84% | 0.836 | 32% | 0.324 | S | S | * | . | trans | -61.3 | 92.4 | 164.4 | -71.9 | -166.3 | 174.1 | 0 | 0 | 108 | N244 | E242-N244 PolarHBondContact O-N 3.47Š| ||
| 243 | L | 64.4 | Low | 83.8 | Confident | 7 Ų | 7 | 67.6 Ų | 67.6 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | trans | -40.5 | 136.8 | -177.6 | -75.3 | 156.8 | 0 | 0 | 0 | 110.2 | Y171 M227 Y236 E241 V245 R247 | Y171-L243 HydrophobicContact CD1-CD1 4.34Å; Y171-L243 HydrophobicContact CE1-CD1 3.49Å; Y171-L243 VanDerWaalsContact CE1-CD1 3.49Å; Y171-L243 HydrophobicContact CE2-CD1 4.37Å; Y171-L243 VanDerWaalsContact CZ-CD1 3.5Å; Y171-L243 WeakPolarHBondContact OH-CD1 3.42Å; M227-L243 HydrophobicContact CE-CD2 4.03Å; Y236-L243 WeakPolarHBondContact OH-CD2 3.44Å; E241-L243 PolarHBondContact O-N 2.91Å; L243-V245 HydrophobicContact CB-CG2 3.8Å; L243-V245 PolarHBondContact O-N 3.17Å; L243-V245 VanDerWaalsContact O-O 3.12Å; L243-R247 HydrophobicContact CB-CG 4.47Å; L243-R247 HydrophobicContact CD1-CG 4.27Å | ||
| 244 | N | 83.4 | Confident | 84.1 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -66.7 | 19.5 | 172 | 51.9 | 0.8 | 0 | 0 | 0 | 113.8 | N215 S218 R220 P221 C222 I223 E242 | N215-N244 PolarHBondContact N-O 3Å; S218-N244 VanDerWaalsContact OG-CB 3.32Å; S218-N244 WeakPolarHBondContact OG-CB 3.41Å; R220-N244 HydrophobicContact CG-CB 4.02Å; P221-N244 PolarHBondContact O-ND2 3.14Å; C222-N244 WeakPolarHBondContact CA-ND2 3.26Å; I223-N244 WeakPolarHBondContact CB-ND2 3.29Å; I223-N244 WeakPolarHBondContact CG1-ND2 3.45Å; I223-N244 PolarHBondContact N-ND2 3.04Å; E242-N244 PolarHBondContact O-N 3.47Å |
| 245 | V | 91.1 | Very high | 84.5 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -129.8 | 155.3 | 176.1 | -61.7 | 0 | 0 | 0 | 0 | 110 | Y171 V209 C213 M227 L243 R247 | Y171-V245 HydrophobicContact CG-CG2 4.23Å; V209-V245 HydrophobicContact CG2-CG1 3.93Å; C213-V245 HydrophobicContact CB-CB 4.48Å; C213-V245 CarbonylContact O-C 3.6Å; C213-V245 WeakPolarHBondContact O-CA 3.4Å; C213-V245 WeakPolarHBondContact O-CB 3.46Å; M227-V245 HydrophobicContact CE-CG1 4.43Å; M227-V245 HydrophobicContact CE-CG2 3.7Å; L243-V245 HydrophobicContact CB-CG2 3.8Å; L243-V245 PolarHBondContact O-N 3.17Å; L243-V245 VanDerWaalsContact O-O 3.12Å; V245-R247 PolarHBondContact O-N 3.28Å |
| 246 | W | 92.1 | Very high | 85 | Confident | 37 Ų | 37 | 53.5 Ų | 53.5 | 14% | 0.14 | 25% | 0.247 | C | C | . | . | trans | -65.1 | 119.1 | 175.1 | -58.2 | 116.8 | 0 | 0 | 0 | 110.9 | R164 C166 C213 C214 N215 | R164-W246 HydrophobicContact CB-CD2 3.67Å; R164-W246 HydrophobicContact CB-CE3 3.75Å; R164-W246 HydrophobicContact CB-CG 4.35Å; R164-W246 HydrophobicContact CB-CH2 3.8Å; R164-W246 HydrophobicContact CB-CZ2 3.7Å; R164-W246 HydrophobicContact CB-CZ3 3.83Å; R164-W246 HydrophobicContact CG-CD2 4.5Å; R164-W246 HydrophobicContact CG-CH2 3.77Å; R164-W246 HydrophobicContact CG-CZ2 3.59Å; R164-W246 HydrophobicContact CG-CZ3 4.28Å; R164-W246 WeakPolarHBondContact O-CB 3.11Å; C166-W246 HydrophobicContact CB-CB 4.22Å; C166-W246 WeakPolarHBondContact CB-O 3.19Å; C213-W246 PolarHBondContact O-N 2.88Å; C214-W246 PolarHBondContact O-NE1 2.77Å; N215-W246 HydrophobicContact CB-CD2 4.14Å; N215-W246 HydrophobicContact CB-CE3 4.22Å; N215-W246 HydrophobicContact CB-CH2 4.18Å; N215-W246 HydrophobicContact CB-CZ2 4.11Å; N215-W246 HydrophobicContact CB-CZ3 4.23Å; N215-W246 VanDerWaalsContact CG-CH2 3.49Å; N215-W246 WeakPolarHBondContact OD1-CH2 3.27Å | ||
| 247 | R | 88.9 | Confident | 85.5 | Confident | 126 Ų | 126 | 56.6 Ų | 56.6 | 48% | 0.475 | 26% | 0.259 | S | S | . | . | trans | -80.4 | -22.1 | 177.3 | -68.6 | -176.4 | 172.7 | -144.5 | -5.4 | 113.3 | E241 L243 V245 | E241-R247 PolarHBondContact O-NH2 3.29Å; L243-R247 HydrophobicContact CB-CG 4.47Å; L243-R247 HydrophobicContact CD1-CG 4.27Å; V245-R247 PolarHBondContact O-N 3.28Å | ||
| 248 | R | 93.6 | Very high | 86 | Confident | 99 Ų | 99 | 54.2 Ų | 54.2 | 37% | 0.374 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -72.5 | 129.6 | -178.8 | -170.2 | 179.4 | -168.8 | -170.1 | 2.8 | 110.6 | C165 C166 E252 | C165-R248 CarbonylContact C-O 3.6Å; C165-R248 WeakPolarHBondContact CA-O 3.44Å; C165-R248 VanDerWaalsContact CB-O 3.31Å; C165-R248 WeakPolarHBondContact CB-O 3.46Å; C166-R248 PolarHBondContact N-O 2.95Å; R248-E252 IonicContact CZ-OE1 3.22Å; R248-E252 IonicContact NE-OE1 3.24Å; R248-E252 PolarHBondContact NE-OE1 2.75Å; R248-E252 IonicContact NH2-OE1 3.42Å; R248-E252 PolarHBondContact NH2-OE1 2.88Å |
| 249 | G | 95.7 | Very high | 86.7 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | trans | -66.8 | 143.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N168 D169 R251 E252 A253 | N168-G249 CarbonylContact O-C 3.5Å; N168-G249 WeakPolarHBondContact O-CA 3.37Å; D169-G249 VanDerWaalsContact C-CA 3.48Å; D169-G249 WeakPolarHBondContact O-CA 3.5Å; D169-G249 PolarHBondContact O-N 3.39Å; G249-R251 VanDerWaalsContact C-N 3.27Å; G249-R251 PolarHBondContact O-N 2.67Å; G249-E252 PolarHBondContact O-N 3.11Å; G249-A253 PolarHBondContact O-N 3.05Å | ||
| 250 | C | 95.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.6 | -25.2 | 179.9 | -65.2 | 0 | 0 | 0 | 0 | 113.4 | L134 M159 C165 G167 N168 E252 A253 L254 | L134-C250 HydrophobicContact CD1-CB 4.09Å; L134-C250 HydrophobicContact CD2-CB 4.36Å; M159-C250 HydrophobicContact CE-CB 3.56Å; M159-C250 WeakPolarHBondContact CE-SG 3.48Å; M159-C250 HydrophobicContact SD-CB 4.18Å; C165-C250 HydrophobicContact CB-CB 3.89Å; C165-C250 WeakPolarHBondContact CB-SG 3.21Å; C165-C250 WeakPolarHBondContact SG-CA 3.26Å; C165-C250 WeakPolarHBondContact SG-CB 3.39Å; C165-C250 CovalentContact SG-SG 2.04Å; C165-C250 PolarHBondContact SG-SG 3.28Å; G167-C250 WeakPolarHBondContact O-CB 3.36Å; G167-C250 PolarHBondContact O-N 3.09Å; G167-C250 PolarHBondContact O-SG 2.76Å; G167-C250 VanDerWaalsContact O-SG 3.39Å; N168-C250 PolarHBondContact O-N 3.36Å; N168-C250 VanDerWaalsContact O-N 3.17Å; C250-E252 PolarHBondContact O-N 2.93Å; C250-A253 PolarHBondContact O-N 3.23Å; C250-L254 VanDerWaalsContact O-CB 3.31Å; C250-L254 WeakPolarHBondContact O-CB 3.36Å; C250-L254 WeakPolarHBondContact O-CG 3.26Å; C250-L254 PolarHBondContact O-N 3.19Å |
| 251 | R | 94.1 | Very high | 88.9 | Confident | 61 Ų | 61 | 42.2 Ų | 42.2 | 23% | 0.23 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.1 | -50.3 | 172.9 | -176.1 | 176.2 | 73.3 | -167.6 | 9.6 | 111.1 | L130 L134 N168 D169 G249 L255 | L130-R251 HydrophobicContact CD2-CG 4.2Å; L130-R251 WeakPolarHBondContact CD2-O 3.41Å; L130-R251 HydrophobicContact CG-CG 4.39Å; L134-R251 HydrophobicContact CD1-CB 3.98Å; N168-R251 WeakPolarHBondContact O-CB 3.48Å; N168-R251 PolarHBondContact O-N 2.94Å; N168-R251 WeakPolarHBondContact OD1-CB 3.32Å; D169-R251 VanDerWaalsContact CG-CZ 3.48Å; D169-R251 IonicContact OD1-CZ 3.44Å; D169-R251 IonicContact OD1-NE 3.67Å; D169-R251 PolarHBondContact OD1-NE 3.22Å; D169-R251 IonicContact OD1-NH1 2.94Å; D169-R251 PolarHBondContact OD1-NH1 3.05Å; D169-R251 IonicContact OD1-NH2 3.02Å; D169-R251 PolarHBondContact OD1-NH2 3.04Å; D169-R251 IonicContact OD2-CZ 2.88Å; D169-R251 IonicContact OD2-NH1 3.51Å; D169-R251 PolarHBondContact OD2-NH1 3.41Å; D169-R251 IonicContact OD2-NH2 2.72Å; D169-R251 PolarHBondContact OD2-NH2 3.14Å; G249-R251 VanDerWaalsContact C-N 3.27Å; G249-R251 PolarHBondContact O-N 2.67Å; R251-L255 WeakPolarHBondContact O-CB 3.29Å; R251-L255 PolarHBondContact O-N 2.96Å |
| 252 | E | 95.3 | Very high | 90.3 | Very high | 106 Ų | 106 | 40.1 Ų | 40.1 | 50% | 0.495 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68.9 | -41.7 | -178.3 | -163.9 | -144.5 | 115.6 | 0 | 0 | 111.4 | R248 G249 C250 L255 S256 | R248-E252 IonicContact CZ-OE1 3.22Å; R248-E252 IonicContact NE-OE1 3.24Å; R248-E252 PolarHBondContact NE-OE1 2.75Å; R248-E252 IonicContact NH2-OE1 3.42Å; R248-E252 PolarHBondContact NH2-OE1 2.88Å; G249-E252 PolarHBondContact O-N 3.11Å; C250-E252 PolarHBondContact O-N 2.93Å; E252-L255 PolarHBondContact O-N 2.02Å; E252-S256 VanDerWaalsContact O-CB 3.28Å; E252-S256 WeakPolarHBondContact O-CB 2.98Å; E252-S256 PolarHBondContact O-N 2.97Å |
| 253 | A | 95.7 | Very high | 91.8 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 3% | 0.033 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.5 | -48.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F163 C165 G249 C250 S256 Y257 | F163-A253 HydrophobicContact CB-CB 4.23Å; C165-A253 HydrophobicContact CB-CB 3.91Å; G249-A253 PolarHBondContact O-N 3.05Å; C250-A253 PolarHBondContact O-N 3.23Å; A253-S256 PolarHBondContact O-N 2.83Å; A253-Y257 PolarHBondContact O-N 2.94Å |
| 254 | L | 93.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.9 | -40.1 | 178.6 | -70.9 | 178.1 | 0 | 0 | 0 | 112.3 | L130 L134 M159 F163 C250 S256 Y257 Y258 | L130-L254 HydrophobicContact CD1-CB 4.2Å; L130-L254 HydrophobicContact CD1-CD1 3.64Å; L130-L254 HydrophobicContact CD2-CB 3.62Å; L134-L254 HydrophobicContact CD1-CD1 4.48Å; L134-L254 HydrophobicContact CD2-CD1 4.4Å; M159-L254 HydrophobicContact CG-CD1 4.18Å; M159-L254 HydrophobicContact CG-CD2 4.32Å; M159-L254 HydrophobicContact SD-CD1 3.57Å; M159-L254 VanDerWaalsContact SD-CD1 3.57Å; M159-L254 HydrophobicContact SD-CG 4.41Å; F163-L254 HydrophobicContact CD1-CD2 4.46Å; F163-L254 HydrophobicContact CD2-CD2 3.32Å; F163-L254 HydrophobicContact CD2-CG 4.35Å; F163-L254 HydrophobicContact CE1-CD2 4.36Å; F163-L254 HydrophobicContact CE2-CD2 3.09Å; F163-L254 HydrophobicContact CE2-CG 4.45Å; F163-L254 HydrophobicContact CG-CD2 4Å; F163-L254 HydrophobicContact CZ-CD2 3.71Å; C250-L254 VanDerWaalsContact O-CB 3.31Å; C250-L254 WeakPolarHBondContact O-CB 3.36Å; C250-L254 WeakPolarHBondContact O-CG 3.26Å; C250-L254 PolarHBondContact O-N 3.19Å; L254-S256 VanDerWaalsContact C-N 3.28Å; L254-S256 PolarHBondContact O-N 3.08Å; L254-Y257 PolarHBondContact O-N 3.42Å; L254-Y258 HydrophobicContact CB-CD2 4.32Å; L254-Y258 HydrophobicContact CD2-CD2 4.44Å; L254-Y258 HydrophobicContact CD2-CE2 3.95Å; L254-Y258 WeakPolarHBondContact O-CD2 3.41Å; L254-Y258 PolarHBondContact O-N 2.67Å |
| 255 | L | 92.6 | Very high | 93.9 | Very high | 13 Ų | 13 | 37.9 Ų | 37.9 | 7% | 0.068 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.4 | -39.8 | 174.5 | -177.7 | 64.1 | 0 | 0 | 0 | 111.5 | R123 F126 Q127 L130 R251 E252 G259 | R123-L255 HydrophobicContact CG-CD1 3.75Å; R123-L255 HydrophobicContact CG-CG 4.43Å; F126-L255 HydrophobicContact CD1-CD1 3.77Å; F126-L255 HydrophobicContact CE1-CD1 4.48Å; Q127-L255 HydrophobicContact CB-CD1 4.05Å; Q127-L255 HydrophobicContact CB-CD2 3.91Å; Q127-L255 HydrophobicContact CG-CD2 3.9Å; L130-L255 HydrophobicContact CD2-CB 4.29Å; R251-L255 WeakPolarHBondContact O-CB 3.29Å; R251-L255 PolarHBondContact O-N 2.96Å; E252-L255 PolarHBondContact O-N 2.02Å; L255-G259 VanDerWaalsContact O-CA 3.26Å; L255-G259 WeakPolarHBondContact O-CA 3.16Å; L255-G259 PolarHBondContact O-N 2.71Å |
| 256 | S | 94.7 | Very high | 94.1 | Very high | 58 Ų | 58 | 37.7 Ų | 37.7 | 41% | 0.406 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.2 | -42.6 | 175.5 | -174.7 | 0 | 0 | 0 | 0 | 111.9 | E252 A253 L254 G260 | E252-S256 VanDerWaalsContact O-CB 3.28Å; E252-S256 WeakPolarHBondContact O-CB 2.98Å; E252-S256 PolarHBondContact O-N 2.97Å; A253-S256 PolarHBondContact O-N 2.83Å; L254-S256 VanDerWaalsContact C-N 3.28Å; L254-S256 PolarHBondContact O-N 3.08Å; S256-G260 PolarHBondContact O-N 2.04Å |
| 257 | Y | 94.1 | Very high | 94.4 | Very high | 80 Ų | 80 | 38.1 Ų | 38.1 | 31% | 0.314 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68 | -59.3 | -179.9 | 175.8 | -106.3 | 0 | 0 | 0 | 112 | E44 F163 A253 L254 G260 I261 | E44-Y257 HydrophobicContact CG-CE1 4.11Å; E44-Y257 PolarHBondContact OE1-OH 3.47Å; F163-Y257 AromaticContact CE1-CD1 3.81Å; F163-Y257 HydrophobicContact CE1-CD1 3.81Å; F163-Y257 AromaticContact CE1-CD2 3.77Å; F163-Y257 HydrophobicContact CE1-CD2 3.77Å; F163-Y257 HydrophobicContact CE1-CE1 4.33Å; F163-Y257 HydrophobicContact CE1-CE2 4.31Å; F163-Y257 AromaticContact CE1-CG 3.47Å; F163-Y257 HydrophobicContact CE1-CG 3.47Å; F163-Y257 VanDerWaalsContact CE1-CG 3.47Å; F163-Y257 AromaticContact CZ-CD1 3.53Å; F163-Y257 HydrophobicContact CZ-CD1 3.53Å; F163-Y257 HydrophobicContact CZ-CD2 4.24Å; F163-Y257 AromaticContact CZ-CE1 3.83Å; F163-Y257 HydrophobicContact CZ-CE1 3.83Å; F163-Y257 AromaticContact CZ-CG 3.73Å; F163-Y257 HydrophobicContact CZ-CG 3.73Å; A253-Y257 PolarHBondContact O-N 2.94Å; L254-Y257 PolarHBondContact O-N 3.42Å; Y257-G260 PolarHBondContact O-N 2.91Å; Y257-I261 HydrophobicContact CD1-CD1 4.17Å; Y257-I261 HydrophobicContact CE1-CD1 3.71Å; Y257-I261 HydrophobicContact CE2-CD1 4.24Å; Y257-I261 PolarHBondContact O-N 3.39Å; Y257-I261 VanDerWaalsContact O-N 3.1Å |
| 258 | Y | 92.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.8 | -37.1 | -178 | -71.4 | -67 | 0 | 0 | 0 | 112.3 | F41 E44 L45 R48 M52 F126 L254 G260 I261 M262 | F41-Y258 HydrophobicContact CE2-CD1 4.13Å; E44-Y258 HydrophobicContact CG-CE1 3.88Å; E44-Y258 PolarHBondContact O-OH 3.41Å; E44-Y258 VanDerWaalsContact O-OH 3.08Å; L45-Y258 HydrophobicContact CD2-CD1 3.84Å; L45-Y258 HydrophobicContact CD2-CE1 3.71Å; L45-Y258 HydrophobicContact CD2-CG 4.37Å; L45-Y258 HydrophobicContact CG-CE1 4.33Å; R48-Y258 WeakPolarHBondContact CD-OH 3.31Å; M52-Y258 HydrophobicContact CE-CE2 4.23Å; M52-Y258 HydrophobicContact SD-CE2 4.32Å; F126-Y258 HydrophobicContact CE1-CD2 4.04Å; F126-Y258 HydrophobicContact CE1-CG 4.17Å; F126-Y258 AromaticContact CZ-CD2 3.71Å; F126-Y258 HydrophobicContact CZ-CD2 3.71Å; F126-Y258 AromaticContact CZ-CG 3.9Å; F126-Y258 HydrophobicContact CZ-CG 3.9Å; L254-Y258 HydrophobicContact CB-CD2 4.32Å; L254-Y258 HydrophobicContact CD2-CD2 4.44Å; L254-Y258 HydrophobicContact CD2-CE2 3.95Å; L254-Y258 WeakPolarHBondContact O-CD2 3.41Å; L254-Y258 PolarHBondContact O-N 2.67Å; Y258-G260 VanDerWaalsContact C-N 3.28Å; Y258-G260 PolarHBondContact O-N 3.15Å; Y258-I261 HydrophobicContact CD1-CD1 4.39Å; Y258-I261 PolarHBondContact O-N 2.81Å; Y258-M262 WeakPolarHBondContact O-CG 2.99Å; Y258-M262 PolarHBondContact O-N 3.08Å |
| 259 | G | 92.7 | Very high | 95 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.3 | -35 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L255 M262 N263 | L255-G259 VanDerWaalsContact O-CA 3.26Å; L255-G259 WeakPolarHBondContact O-CA 3.16Å; L255-G259 PolarHBondContact O-N 2.71Å; G259-M262 PolarHBondContact O-N 3.29Å; G259-N263 WeakPolarHBondContact O-CB 3.39Å; G259-N263 PolarHBondContact O-N 3.3Å; G259-N263 PolarHBondContact O-ND2 3.14Å |
| 260 | G | 93.9 | Very high | 95 | Very high | 32 Ų | 32 | 33.2 Ų | 33.2 | 33% | 0.33 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.1 | -47.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S256 Y257 Y258 N263 T264 | S256-G260 PolarHBondContact O-N 2.04Å; Y257-G260 PolarHBondContact O-N 2.91Å; Y258-G260 VanDerWaalsContact C-N 3.28Å; Y258-G260 PolarHBondContact O-N 3.15Å; G260-N263 PolarHBondContact O-N 3.16Å; G260-T264 WeakPolarHBondContact O-CG2 3.42Å; G260-T264 PolarHBondContact O-N 3.29Å; G260-T264 PolarHBondContact O-OG1 3.45Å |
| 261 | I | 94.4 | Very high | 95 | Very high | 21 Ų | 21 | 38.3 Ų | 38.3 | 11% | 0.108 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.6 | -46.1 | 176 | -63.6 | 169.4 | 0 | 0 | 0 | 111.3 | F41 E44 Y257 Y258 N263 T264 I265 | F41-I261 HydrophobicContact CD2-CG2 3.65Å; F41-I261 HydrophobicContact CE2-CG2 4.11Å; F41-I261 HydrophobicContact CG-CG2 4.37Å; E44-I261 HydrophobicContact CG-CD1 4.34Å; Y257-I261 HydrophobicContact CD1-CD1 4.17Å; Y257-I261 HydrophobicContact CE1-CD1 3.71Å; Y257-I261 HydrophobicContact CE2-CD1 4.24Å; Y257-I261 PolarHBondContact O-N 3.39Å; Y257-I261 VanDerWaalsContact O-N 3.1Å; Y258-I261 HydrophobicContact CD1-CD1 4.39Å; Y258-I261 PolarHBondContact O-N 2.81Å; I261-N263 VanDerWaalsContact C-N 3.34Å; I261-N263 PolarHBondContact O-N 3.1Å; I261-T264 PolarHBondContact O-N 2.84Å; I261-T264 PolarHBondContact O-OG1 3.48Å; I261-I265 HydrophobicContact CG2-CD1 3.7Å; I261-I265 HydrophobicContact CG2-CG1 4.38Å; I261-I265 WeakPolarHBondContact O-CB 3.38Å; I261-I265 VanDerWaalsContact O-CG1 3.24Å; I261-I265 WeakPolarHBondContact O-CG1 3.39Å; I261-I265 PolarHBondContact O-N 2.87Å |
| 262 | M | 94.3 | Very high | 95.1 | Very high | 9 Ų | 9 | 35.9 Ų | 35.9 | 4% | 0.044 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.2 | -42.5 | 177.9 | -68.9 | 177.7 | -172.9 | 0 | 0 | 111.6 | F41 L60 M122 F126 Y258 G259 I265 G266 | F41-M262 HydrophobicContact CE1-CE 4.31Å; F41-M262 HydrophobicContact CE1-CG 4.13Å; F41-M262 HydrophobicContact CE2-CG 4.23Å; F41-M262 HydrophobicContact CZ-CE 3.56Å; F41-M262 HydrophobicContact CZ-CG 3.61Å; F41-M262 HydrophobicContact CZ-SD 4.4Å; L60-M262 HydrophobicContact CD2-CE 4.46Å; L60-M262 HydrophobicContact CD2-CG 4.03Å; L60-M262 HydrophobicContact CD2-SD 4.13Å; M122-M262 HydrophobicContact CB-SD 4.4Å; F126-M262 HydrophobicContact CB-CE 4.36Å; F126-M262 HydrophobicContact CD1-CE 4.35Å; F126-M262 HydrophobicContact CD2-CE 4.01Å; F126-M262 HydrophobicContact CE2-CE 4.41Å; F126-M262 HydrophobicContact CG-CE 3.98Å; Y258-M262 WeakPolarHBondContact O-CG 2.99Å; Y258-M262 PolarHBondContact O-N 3.08Å; G259-M262 PolarHBondContact O-N 3.29Å; M262-I265 PolarHBondContact O-N 3.44Å; M262-G266 PolarHBondContact O-N 3.27Å |
| 263 | N | 94.4 | Very high | 95.2 | Very high | 54 Ų | 54 | 31.2 Ų | 31.2 | 29% | 0.289 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.9 | -42.4 | 179 | -75.2 | -14.3 | 0 | 0 | 0 | 112.4 | F120 G259 G260 I261 G266 A267 | F120-N263 HydrophobicContact CE1-CB 4.4Å; G259-N263 WeakPolarHBondContact O-CB 3.39Å; G259-N263 PolarHBondContact O-N 3.3Å; G259-N263 PolarHBondContact O-ND2 3.14Å; G260-N263 PolarHBondContact O-N 3.16Å; I261-N263 VanDerWaalsContact C-N 3.34Å; I261-N263 PolarHBondContact O-N 3.1Å; N263-G266 PolarHBondContact O-N 3.44Å; N263-A267 WeakPolarHBondContact O-CB 3.26Å; N263-A267 PolarHBondContact O-N 3.16Å |
| 264 | T | 96.1 | Very high | 95.2 | Very high | 84 Ų | 84 | 37 Ų | 37 | 52% | 0.515 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.8 | -42 | 177.7 | 54.6 | 0 | 0 | 0 | 0 | 111.2 | G260 I261 A267 L268 | G260-T264 WeakPolarHBondContact O-CG2 3.42Å; G260-T264 PolarHBondContact O-N 3.29Å; G260-T264 PolarHBondContact O-OG1 3.45Å; I261-T264 PolarHBondContact O-N 2.84Å; I261-T264 PolarHBondContact O-OG1 3.48Å; T264-A267 PolarHBondContact O-N 3.09Å; T264-L268 WeakPolarHBondContact O-CG 3.49Å; T264-L268 PolarHBondContact O-N 3.42Å |
| 265 | I | 96.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61 | -46.9 | 172.6 | -67.5 | 171.9 | 0 | 0 | 0 | 110.4 | L37 F41 L64 I261 M262 A267 L268 V269 | L37-I265 HydrophobicContact CB-CD1 4.37Å; L37-I265 HydrophobicContact CB-CG1 4.26Å; F41-I265 HydrophobicContact CB-CD1 3.93Å; F41-I265 HydrophobicContact CD1-CD1 4.49Å; F41-I265 HydrophobicContact CG-CD1 4.13Å; L64-I265 HydrophobicContact CD1-CG2 3.77Å; L64-I265 HydrophobicContact CD2-CG2 3.8Å; L64-I265 HydrophobicContact CG-CG2 4.45Å; I261-I265 HydrophobicContact CG2-CD1 3.7Å; I261-I265 HydrophobicContact CG2-CG1 4.38Å; I261-I265 WeakPolarHBondContact O-CB 3.38Å; I261-I265 VanDerWaalsContact O-CG1 3.24Å; I261-I265 WeakPolarHBondContact O-CG1 3.39Å; I261-I265 PolarHBondContact O-N 2.87Å; M262-I265 PolarHBondContact O-N 3.44Å; I265-A267 VanDerWaalsContact C-N 3.33Å; I265-A267 PolarHBondContact O-N 3.4Å; I265-L268 PolarHBondContact O-N 3.06Å; I265-L268 VanDerWaalsContact O-N 3.15Å; I265-V269 HydrophobicContact CG2-CG2 4.12Å; I265-V269 VanDerWaalsContact O-CG2 3.3Å; I265-V269 WeakPolarHBondContact O-CG2 3.42Å; I265-V269 PolarHBondContact O-N 2.91Å |
| 266 | G | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.5 | -43.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C119 F120 M262 N263 V269 L270 | C119-G266 VanDerWaalsContact CB-CA 3.5Å; F120-G266 VanDerWaalsContact CZ-C 3.49Å; M262-G266 PolarHBondContact O-N 3.27Å; N263-G266 PolarHBondContact O-N 3.44Å; G266-V269 PolarHBondContact O-N 3.47Å; G266-L270 WeakPolarHBondContact O-CG 3.37Å; G266-L270 PolarHBondContact O-N 3.01Å |
| 267 | A | 96.9 | Very high | 95.5 | Very high | 45 Ų | 45 | 38 Ų | 38 | 37% | 0.372 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N263 T264 I265 L270 L271 | N263-A267 WeakPolarHBondContact O-CB 3.26Å; N263-A267 PolarHBondContact O-N 3.16Å; T264-A267 PolarHBondContact O-N 3.09Å; I265-A267 VanDerWaalsContact C-N 3.33Å; I265-A267 PolarHBondContact O-N 3.4Å; A267-L270 WeakPolarHBondContact O-CB 3.26Å; A267-L270 PolarHBondContact O-N 3.15Å; A267-L271 WeakPolarHBondContact O-CG 3.35Å; A267-L271 PolarHBondContact O-N 3.02Å; A267-L271 VanDerWaalsContact O-N 3.1Å |
| 268 | L | 97.2 | Very high | 95.5 | Very high | 64 Ų | 64 | 36.2 Ų | 36.2 | 34% | 0.335 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.7 | -42.2 | 175.4 | -71.8 | 169.1 | 0 | 0 | 0 | 111.8 | L37 T264 I265 L270 L271 V272 | L37-L268 HydrophobicContact CD1-CD1 3.63Å; T264-L268 WeakPolarHBondContact O-CG 3.49Å; T264-L268 PolarHBondContact O-N 3.42Å; I265-L268 PolarHBondContact O-N 3.06Å; I265-L268 VanDerWaalsContact O-N 3.15Å; L268-L270 VanDerWaalsContact C-N 3.3Å; L268-L270 PolarHBondContact O-N 3.38Å; L268-L271 WeakPolarHBondContact O-CB 3.12Å; L268-L271 PolarHBondContact O-N 3.01Å; L268-L271 VanDerWaalsContact O-N 3.14Å; L268-V272 VanDerWaalsContact O-CG2 3.26Å; L268-V272 WeakPolarHBondContact O-CG2 3.43Å; L268-V272 PolarHBondContact O-N 3.44Å |
| 269 | V | 97.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.3 | -36.1 | 175.7 | 176.3 | 0 | 0 | 0 | 0 | 111 | V34 L64 L112 A116 I265 G266 V272 T273 | V34-V269 HydrophobicContact CG1-CG2 4.33Å; V34-V269 HydrophobicContact CG2-CG2 4.35Å; L64-V269 HydrophobicContact CD2-CG2 3.91Å; L112-V269 HydrophobicContact CD2-CG1 4.36Å; A116-V269 HydrophobicContact CB-CB 4.35Å; A116-V269 HydrophobicContact CB-CG1 3.98Å; I265-V269 HydrophobicContact CG2-CG2 4.12Å; I265-V269 VanDerWaalsContact O-CG2 3.3Å; I265-V269 WeakPolarHBondContact O-CG2 3.42Å; I265-V269 PolarHBondContact O-N 2.91Å; G266-V269 PolarHBondContact O-N 3.47Å; V269-V272 PolarHBondContact O-N 3.11Å; V269-T273 WeakPolarHBondContact O-CB 3.45Å; V269-T273 PolarHBondContact O-N 3.25Å; V269-T273 PolarHBondContact O-OG1 2.83Å |
| 270 | L | 96.6 | Very high | 95.5 | Very high | 61 Ų | 61 | 36.8 Ų | 36.8 | 32% | 0.319 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 171.9 | -74.8 | 177.5 | 0 | 0 | 0 | 112.4 | A116 F120 G266 A267 L268 V272 T273 M274 | A116-L270 HydrophobicContact CB-CD2 3.5Å; A116-L270 VanDerWaalsContact CB-CD2 3.5Å; A116-L270 HydrophobicContact CB-CG 3.75Å; F120-L270 HydrophobicContact CE2-CD1 3.74Å; F120-L270 HydrophobicContact CE2-CG 4.3Å; F120-L270 HydrophobicContact CZ-CD1 4.07Å; G266-L270 WeakPolarHBondContact O-CG 3.37Å; G266-L270 PolarHBondContact O-N 3.01Å; A267-L270 WeakPolarHBondContact O-CB 3.26Å; A267-L270 PolarHBondContact O-N 3.15Å; L268-L270 VanDerWaalsContact C-N 3.3Å; L268-L270 PolarHBondContact O-N 3.38Å; L270-V272 VanDerWaalsContact C-N 3.35Å; L270-T273 WeakPolarHBondContact O-CB 3.41Å; L270-T273 PolarHBondContact O-N 2.87Å; L270-M274 WeakPolarHBondContact O-CG 3.17Å; L270-M274 PolarHBondContact O-N 2.7Å |
| 271 | L | 96.7 | Very high | 95.4 | Very high | 107 Ų | 107 | 37.6 Ų | 37.6 | 56% | 0.56 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -63.6 | -41.9 | 175.9 | -67.6 | 174.9 | 0 | 0 | 0 | 111.6 | A267 L268 T273 M274 L275 | A267-L271 WeakPolarHBondContact O-CG 3.35Å; A267-L271 PolarHBondContact O-N 3.02Å; A267-L271 VanDerWaalsContact O-N 3.1Å; L268-L271 WeakPolarHBondContact O-CB 3.12Å; L268-L271 PolarHBondContact O-N 3.01Å; L268-L271 VanDerWaalsContact O-N 3.14Å; L271-T273 VanDerWaalsContact C-N 3.29Å; L271-T273 PolarHBondContact O-N 3.21Å; L271-M274 PolarHBondContact O-N 3.4Å; L271-L275 PolarHBondContact O-N 2.85Å; L271-L275 VanDerWaalsContact O-N 3.12Å |
| 272 | V | 96.3 | Very high | 95.2 | Very high | 10 Ų | 10 | 36.9 Ų | 36.9 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.2 | -42.8 | 172.7 | 175.8 | 0 | 0 | 0 | 0 | 110.1 | A30 V34 L268 V269 L270 M274 L275 E276 | A30-V272 HydrophobicContact CB-CG1 4.45Å; A30-V272 HydrophobicContact CB-CG2 4.11Å; V34-V272 HydrophobicContact CG2-CB 4.43Å; V34-V272 HydrophobicContact CG2-CG1 4.37Å; V34-V272 HydrophobicContact CG2-CG2 3.78Å; L268-V272 VanDerWaalsContact O-CG2 3.26Å; L268-V272 WeakPolarHBondContact O-CG2 3.43Å; L268-V272 PolarHBondContact O-N 3.44Å; V269-V272 PolarHBondContact O-N 3.11Å; L270-V272 VanDerWaalsContact C-N 3.35Å; V272-M274 VanDerWaalsContact C-N 3.33Å; V272-M274 PolarHBondContact O-N 3.29Å; V272-L275 WeakPolarHBondContact O-CB 3.33Å; V272-L275 PolarHBondContact O-N 2.74Å; V272-L275 VanDerWaalsContact O-N 3.12Å; V272-E276 HydrophobicContact CG1-CG 4.15Å; V272-E276 WeakPolarHBondContact O-CG 3.45Å; V272-E276 PolarHBondContact O-N 2.7Å |
| 273 | T | 95.9 | Very high | 95 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.043 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.7 | -41.1 | 177.1 | -55 | 0 | 0 | 0 | 0 | 111.7 | L112 I113 V269 L270 L271 L275 E276 V277 | L112-T273 HydrophobicContact CB-CG2 4.3Å; I113-T273 HydrophobicContact CD1-CG2 4.35Å; I113-T273 HydrophobicContact CG1-CG2 3.57Å; V269-T273 WeakPolarHBondContact O-CB 3.45Å; V269-T273 PolarHBondContact O-N 3.25Å; V269-T273 PolarHBondContact O-OG1 2.83Å; L270-T273 WeakPolarHBondContact O-CB 3.41Å; L270-T273 PolarHBondContact O-N 2.87Å; L271-T273 VanDerWaalsContact C-N 3.29Å; L271-T273 PolarHBondContact O-N 3.21Å; T273-L275 VanDerWaalsContact C-N 3.31Å; T273-L275 PolarHBondContact O-N 3.3Å; T273-E276 PolarHBondContact O-N 3.42Å; T273-V277 WeakPolarHBondContact O-CG2 3.47Å; T273-V277 PolarHBondContact O-N 3.36Å |
| 274 | M | 96.1 | Very high | 94.7 | Very high | 125 Ų | 125 | 35.8 Ų | 35.8 | 62% | 0.616 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -62.6 | -39.9 | 175.4 | -65.6 | -178.1 | -153 | 0 | 0 | 111.8 | L270 L271 V272 A278 | L270-M274 WeakPolarHBondContact O-CG 3.17Å; L270-M274 PolarHBondContact O-N 2.7Å; L271-M274 PolarHBondContact O-N 3.4Å; V272-M274 VanDerWaalsContact C-N 3.33Å; V272-M274 PolarHBondContact O-N 3.29Å; M274-A278 WeakPolarHBondContact O-CB 3.49Å; M274-A278 PolarHBondContact O-N 3.05Å |
| 275 | L | 96.1 | Very high | 94.3 | Very high | 28 Ų | 28 | 33.3 Ų | 33.3 | 15% | 0.147 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.2 | -43.2 | 174.3 | 178.2 | 65.4 | 0 | 0 | 0 | 111.6 | F26 A27 A30 L271 V272 T273 V277 A278 V279 | F26-L275 HydrophobicContact CD1-CD1 4.02Å; F26-L275 HydrophobicContact CD1-CD2 3.48Å; F26-L275 VanDerWaalsContact CD1-CD2 3.48Å; F26-L275 HydrophobicContact CD1-CG 4.42Å; F26-L275 HydrophobicContact CE1-CD2 3.82Å; A27-L275 HydrophobicContact CB-CD2 3.84Å; A27-L275 HydrophobicContact CB-CG 4.15Å; A30-L275 HydrophobicContact CB-CD2 4.04Å; L271-L275 PolarHBondContact O-N 2.85Å; L271-L275 VanDerWaalsContact O-N 3.12Å; V272-L275 WeakPolarHBondContact O-CB 3.33Å; V272-L275 PolarHBondContact O-N 2.74Å; V272-L275 VanDerWaalsContact O-N 3.12Å; T273-L275 VanDerWaalsContact C-N 3.31Å; T273-L275 PolarHBondContact O-N 3.3Å; L275-V277 PolarHBondContact O-N 3.19Å; L275-A278 WeakPolarHBondContact O-CB 3.46Å; L275-A278 PolarHBondContact O-N 2.85Å; L275-A278 VanDerWaalsContact O-N 3.12Å; L275-V279 PolarHBondContact O-N 3.13Å |
| 276 | E | 95.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.6 | -40.2 | 177.6 | -70.6 | -76.3 | 179.3 | 0 | 0 | 112.3 | N75 F108 N109 L112 V272 T273 V279 T280 | N75-E276 PolarHBondContact ND2-OE1 2.84Å; N75-E276 PolarHBondContact OD1-OE2 3.5Å; F108-E276 HydrophobicContact CE1-CG 4.43Å; N109-E276 VanDerWaalsContact OD1-C 3.28Å; N109-E276 WeakPolarHBondContact OD1-CB 3.45Å; L112-E276 HydrophobicContact CD1-CB 4.15Å; L112-E276 HydrophobicContact CD1-CG 3.67Å; V272-E276 HydrophobicContact CG1-CG 4.15Å; V272-E276 WeakPolarHBondContact O-CG 3.45Å; V272-E276 PolarHBondContact O-N 2.7Å; T273-E276 PolarHBondContact O-N 3.42Å; E276-V279 WeakPolarHBondContact O-CG2 3.31Å; E276-T280 WeakPolarHBondContact O-CB 3.38Å; E276-T280 PolarHBondContact O-N 3.06Å; E276-T280 PolarHBondContact O-OG1 2.74Å |
| 277 | V | 94.8 | Very high | 93.2 | Very high | 66 Ų | 66 | 33.6 Ų | 33.6 | 40% | 0.4 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 171.6 | 171.3 | 0 | 0 | 0 | 0 | 109.9 | N109 T273 L275 T280 V281 | N109-V277 HydrophobicContact CB-CG2 4.5Å; N109-V277 VanDerWaalsContact OD1-CG2 3.3Å; N109-V277 WeakPolarHBondContact OD1-CG2 2.82Å; N109-V277 PolarHBondContact OD1-N 3.02Å; N109-V277 VanDerWaalsContact OD1-N 3.11Å; T273-V277 WeakPolarHBondContact O-CG2 3.47Å; T273-V277 PolarHBondContact O-N 3.36Å; L275-V277 PolarHBondContact O-N 3.19Å; V277-T280 PolarHBondContact O-N 3.12Å; V277-V281 HydrophobicContact CG1-CG2 4.26Å; V277-V281 WeakPolarHBondContact O-CB 3.24Å; V277-V281 VanDerWaalsContact O-CG2 3.24Å; V277-V281 WeakPolarHBondContact O-CG2 3.5Å; V277-V281 PolarHBondContact O-N 3.45Å |
| 278 | A | 94.1 | Very high | 92.6 | Very high | 42 Ų | 42 | 31.6 Ų | 31.6 | 35% | 0.347 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.9 | -42.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | M274 L275 V281 G282 | M274-A278 WeakPolarHBondContact O-CB 3.49Å; M274-A278 PolarHBondContact O-N 3.05Å; L275-A278 WeakPolarHBondContact O-CB 3.46Å; L275-A278 PolarHBondContact O-N 2.85Å; L275-A278 VanDerWaalsContact O-N 3.12Å; A278-V281 PolarHBondContact O-N 2.01Å; A278-G282 PolarHBondContact O-N 2.92Å |
| 279 | V | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.7 | -36.4 | 176 | -63 | 0 | 0 | 0 | 0 | 111.9 | M23 Y24 L275 E276 G282 L283 | M23-V279 HydrophobicContact CB-CG1 3.63Å; Y24-V279 HydrophobicContact CD1-CB 4.2Å; Y24-V279 HydrophobicContact CD1-CG1 4.47Å; Y24-V279 HydrophobicContact CD1-CG2 4.31Å; Y24-V279 HydrophobicContact CD2-CB 4.5Å; Y24-V279 HydrophobicContact CE1-CB 3.86Å; Y24-V279 HydrophobicContact CE1-CG2 3.81Å; Y24-V279 HydrophobicContact CE2-CB 4.19Å; Y24-V279 HydrophobicContact CG-CB 4.49Å; Y24-V279 PolarHBondContact OH-O 2.99Å; L275-V279 PolarHBondContact O-N 3.13Å; E276-V279 WeakPolarHBondContact O-CG2 3.31Å; V279-G282 PolarHBondContact O-N 3.36Å; V279-L283 WeakPolarHBondContact O-CB 3.3Å; V279-L283 PolarHBondContact O-N 3.27Å |
| 280 | T | 92.7 | Very high | 90.9 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 8% | 0.08 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.4 | -43.8 | 176.1 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | L102 C105 M106 N109 E276 V277 L283 Q284 | L102-T280 HydrophobicContact CD2-CG2 4.31Å; C105-T280 HydrophobicContact CB-CG2 3.91Å; M106-T280 HydrophobicContact CG-CG2 4.46Å; N109-T280 PolarHBondContact ND2-OG1 3.39Å; N109-T280 VanDerWaalsContact ND2-OG1 3.16Å; E276-T280 WeakPolarHBondContact O-CB 3.38Å; E276-T280 PolarHBondContact O-N 3.06Å; E276-T280 PolarHBondContact O-OG1 2.74Å; V277-T280 PolarHBondContact O-N 3.12Å; T280-L283 PolarHBondContact O-N 3.4Å; T280-Q284 PolarHBondContact O-N 3.12Å |
| 281 | V | 90.8 | Very high | 89.9 | Confident | 48 Ų | 48 | 29.3 Ų | 29.3 | 29% | 0.291 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61.5 | -46 | 172.7 | 166.4 | 0 | 0 | 0 | 0 | 110.7 | V277 A278 L283 Q284 Y285 L307 | V277-V281 HydrophobicContact CG1-CG2 4.26Å; V277-V281 WeakPolarHBondContact O-CB 3.24Å; V277-V281 VanDerWaalsContact O-CG2 3.24Å; V277-V281 WeakPolarHBondContact O-CG2 3.5Å; V277-V281 PolarHBondContact O-N 3.45Å; A278-V281 PolarHBondContact O-N 2.01Å; V281-L283 VanDerWaalsContact C-N 3.34Å; V281-L283 PolarHBondContact O-N 3.44Å; V281-Q284 WeakPolarHBondContact O-CB 3.39Å; V281-Q284 PolarHBondContact O-N 3.05Å; V281-Y285 HydrophobicContact CG1-CD2 3.83Å; V281-Y285 HydrophobicContact CG1-CE2 3.73Å; V281-Y285 VanDerWaalsContact O-CD2 3.27Å; V281-Y285 WeakPolarHBondContact O-CD2 3.4Å; V281-Y285 PolarHBondContact O-N 2.92Å; V281-L307 HydrophobicContact CB-CD1 4.35Å; V281-L307 HydrophobicContact CG1-CD1 4Å; V281-L307 HydrophobicContact CG2-CD1 3.99Å |
| 282 | G | 90.2 | Very high | 89 | Confident | 7 Ų | 7 | 26.5 Ų | 26.5 | 7% | 0.072 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.5 | -44.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A278 V279 Y285 V286 | A278-G282 PolarHBondContact O-N 2.92Å; V279-G282 PolarHBondContact O-N 3.36Å; G282-Y285 PolarHBondContact O-N 3.23Å; G282-V286 WeakPolarHBondContact O-CG2 3.35Å; G282-V286 PolarHBondContact O-N 2.63Å |
| 283 | L | 89.6 | Confident | 88 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.9 | -39.1 | 176.6 | -174.1 | 65.5 | 0 | 0 | 0 | 112.2 | Y24 V81 L98 F101 L102 V279 T280 V281 Y285 V286 D287 | Y24-L283 HydrophobicContact CE2-CB 4.4Å; Y24-L283 WeakPolarHBondContact OH-CB 3.46Å; Y24-L283 WeakPolarHBondContact OH-CD2 3.44Å; V81-L283 HydrophobicContact CG1-CD1 4.34Å; L98-L283 HydrophobicContact CD1-CD1 4.38Å; F101-L283 HydrophobicContact CD1-CD2 3.62Å; F101-L283 HydrophobicContact CE1-CD2 3.56Å; L102-L283 HydrophobicContact CD2-CB 4.14Å; L102-L283 HydrophobicContact CD2-CD2 3.89Å; L102-L283 HydrophobicContact CD2-CG 4.03Å; L102-L283 HydrophobicContact CG-CD2 4.27Å; V279-L283 WeakPolarHBondContact O-CB 3.3Å; V279-L283 PolarHBondContact O-N 3.27Å; T280-L283 PolarHBondContact O-N 3.4Å; V281-L283 VanDerWaalsContact C-N 3.34Å; V281-L283 PolarHBondContact O-N 3.44Å; L283-Y285 VanDerWaalsContact C-N 3.3Å; L283-Y285 PolarHBondContact O-N 3.12Å; L283-V286 PolarHBondContact O-N 3.43Å; L283-D287 PolarHBondContact O-N 3.3Å |
| 284 | Q | 89.6 | Confident | 86.5 | Confident | 39 Ų | 39 | 31.4 Ų | 31.4 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.5 | -40.1 | 173.8 | -178.9 | 63.7 | 36.3 | 0 | 0 | 111.8 | L102 T280 V281 D287 T288 L307 | L102-Q284 VanDerWaalsContact CD1-OE1 3.27Å; L102-Q284 HydrophobicContact CD2-CB 4.33Å; T280-Q284 PolarHBondContact O-N 3.12Å; V281-Q284 WeakPolarHBondContact O-CB 3.39Å; V281-Q284 PolarHBondContact O-N 3.05Å; Q284-D287 PolarHBondContact O-N 2.61Å; Q284-T288 VanDerWaalsContact NE2-CG2 3.31Å; Q284-T288 WeakPolarHBondContact O-CB 3.32Å; Q284-T288 WeakPolarHBondContact O-CG2 3.48Å; Q284-T288 PolarHBondContact O-N 3.16Å; Q284-T288 PolarHBondContact O-OG1 3.44Å; Q284-L307 HydrophobicContact CG-CD1 4.25Å |
| 285 | Y | 86 | Confident | 85.1 | Confident | 33 Ų | 33 | 28.8 Ų | 28.8 | 13% | 0.129 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.5 | -39.4 | 174.1 | -84.3 | -71.3 | 0 | 0 | 0 | 112.4 | L4 V6 F8 V281 G282 L283 T288 S289 L307 | L4-Y285 VanDerWaalsContact CB-OH 3.27Å; L4-Y285 WeakPolarHBondContact CB-OH 3.38Å; L4-Y285 PolarHBondContact O-OH 2.93Å; L4-Y285 VanDerWaalsContact O-OH 3.08Å; V6-Y285 HydrophobicContact CG2-CE1 4.42Å; F8-Y285 HydrophobicContact CE2-CD1 4.18Å; F8-Y285 HydrophobicContact CZ-CD1 4.23Å; V281-Y285 HydrophobicContact CG1-CD2 3.83Å; V281-Y285 HydrophobicContact CG1-CE2 3.73Å; V281-Y285 VanDerWaalsContact O-CD2 3.27Å; V281-Y285 WeakPolarHBondContact O-CD2 3.4Å; V281-Y285 PolarHBondContact O-N 2.92Å; G282-Y285 PolarHBondContact O-N 3.23Å; L283-Y285 VanDerWaalsContact C-N 3.3Å; L283-Y285 PolarHBondContact O-N 3.12Å; Y285-T288 PolarHBondContact O-OG1 2.96Å; Y285-S289 WeakPolarHBondContact O-CB 3.16Å; Y285-S289 PolarHBondContact O-N 3.35Å; Y285-S289 PolarHBondContact O-OG 2.92Å; Y285-L307 HydrophobicContact CE2-CB 4.4Å |
| 286 | V | 85.1 | Confident | 83.6 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.024 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.3 | -48 | 173.8 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | L16 A17 V20 G282 L283 S289 L290 | L16-V286 HydrophobicContact CD2-CG2 3.97Å; L16-V286 HydrophobicContact CG-CG2 4.04Å; A17-V286 HydrophobicContact CB-CG2 4.47Å; V20-V286 HydrophobicContact CG2-CG2 4.42Å; G282-V286 WeakPolarHBondContact O-CG2 3.35Å; G282-V286 PolarHBondContact O-N 2.63Å; L283-V286 PolarHBondContact O-N 3.43Å; V286-S289 PolarHBondContact O-OG 3.43Å; V286-L290 HydrophobicContact CG1-CD1 3.83Å; V286-L290 WeakPolarHBondContact O-CG 3.24Å; V286-L290 PolarHBondContact O-N 3.48Å; V286-L290 VanDerWaalsContact O-N 3.14Å |
| 287 | D | 85.1 | Confident | 82 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.027 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.4 | -52.7 | 177.7 | -171.6 | 37.2 | 0 | 0 | 0 | 112.7 | L98 L102 L283 Q284 L290 S291 | L98-D287 HydrophobicContact CD2-CB 3.23Å; L98-D287 WeakPolarHBondContact CD2-OD1 3.33Å; L102-D287 HydrophobicContact CD1-CB 4.38Å; L283-D287 PolarHBondContact O-N 3.3Å; Q284-D287 PolarHBondContact O-N 2.61Å; D287-L290 PolarHBondContact O-N 3.2Å; D287-S291 VanDerWaalsContact O-CB 3.27Å; D287-S291 WeakPolarHBondContact O-CB 3.41Å; D287-S291 PolarHBondContact O-N 3.08Å; D287-S291 PolarHBondContact O-OG 2.99Å |
| 288 | T | 83.9 | Confident | 80.7 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67 | -42.8 | -175.7 | 49.8 | 0 | 0 | 0 | 0 | 111 | Q284 Y285 L290 S291 T292 G305 F306 | Q284-T288 VanDerWaalsContact NE2-CG2 3.31Å; Q284-T288 WeakPolarHBondContact O-CB 3.32Å; Q284-T288 WeakPolarHBondContact O-CG2 3.48Å; Q284-T288 PolarHBondContact O-N 3.16Å; Q284-T288 PolarHBondContact O-OG1 3.44Å; Y285-T288 PolarHBondContact O-OG1 2.96Å; T288-L290 VanDerWaalsContact C-N 3.26Å; T288-L290 PolarHBondContact O-N 3.36Å; T288-S291 WeakPolarHBondContact CA-OG 3.21Å; T288-S291 PolarHBondContact O-N 2.86Å; T288-S291 PolarHBondContact O-OG 3.45Å; T288-T292 WeakPolarHBondContact O-CG2 3.41Å; T288-T292 PolarHBondContact O-N 2.9Å; T288-T292 VanDerWaalsContact O-N 3.1Å; T288-T292 PolarHBondContact O-OG1 3.48Å; T288-G305 WeakPolarHBondContact OG1-CA 3.37Å; T288-F306 HydrophobicContact CG2-CD1 4.48Å; T288-F306 HydrophobicContact CG2-CD2 3.82Å; T288-F306 HydrophobicContact CG2-CE1 4.35Å; T288-F306 HydrophobicContact CG2-CE2 3.65Å; T288-F306 HydrophobicContact CG2-CG 4.24Å; T288-F306 HydrophobicContact CG2-CZ 3.94Å; T288-F306 WeakPolarHBondContact CG2-O 3.48Å; T288-F306 PolarHBondContact OG1-N 2.99Å; T288-F306 PolarHBondContact OG1-O 3.31Å |
| 289 | S | 81.6 | Confident | 79 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.014 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.5 | -30 | 177.5 | 73.6 | 0 | 0 | 0 | 0 | 113.9 | Y285 V286 S303 | Y285-S289 WeakPolarHBondContact O-CB 3.16Å; Y285-S289 PolarHBondContact O-N 3.35Å; Y285-S289 PolarHBondContact O-OG 2.92Å; V286-S289 PolarHBondContact O-OG 3.43Å; S289-S303 VanDerWaalsContact O-CB 3.23Å; S289-S303 WeakPolarHBondContact O-CB 3.46Å; S289-S303 PolarHBondContact O-OG 3.49Å |
| 290 | L | 77.4 | Confident | 77.6 | Confident | 32 Ų | 32 | 51.5 Ų | 51.5 | 17% | 0.168 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -89.8 | -26.1 | 178 | -67.8 | 171.6 | 0 | 0 | 0 | 112.5 | F91 V286 D287 T288 L293 | F91-L290 HydrophobicContact CD1-CB 3.95Å; F91-L290 HydrophobicContact CD1-CD1 4.05Å; F91-L290 HydrophobicContact CD2-CD1 3.6Å; F91-L290 HydrophobicContact CE1-CB 3.3Å; F91-L290 HydrophobicContact CE1-CD1 3.95Å; F91-L290 HydrophobicContact CE1-CG 4.23Å; F91-L290 HydrophobicContact CE2-CB 4.18Å; F91-L290 HydrophobicContact CE2-CD1 3.47Å; F91-L290 VanDerWaalsContact CE2-CD1 3.47Å; F91-L290 HydrophobicContact CE2-CG 4.47Å; F91-L290 HydrophobicContact CG-CD1 3.89Å; F91-L290 HydrophobicContact CZ-CB 3.44Å; F91-L290 VanDerWaalsContact CZ-CB 3.44Å; F91-L290 HydrophobicContact CZ-CD1 3.67Å; F91-L290 HydrophobicContact CZ-CG 4.2Å; V286-L290 HydrophobicContact CG1-CD1 3.83Å; V286-L290 WeakPolarHBondContact O-CG 3.24Å; V286-L290 PolarHBondContact O-N 3.48Å; V286-L290 VanDerWaalsContact O-N 3.14Å; D287-L290 PolarHBondContact O-N 3.2Å; T288-L290 VanDerWaalsContact C-N 3.26Å; T288-L290 PolarHBondContact O-N 3.36Å; L290-L293 WeakPolarHBondContact O-CD1 3.28Å |
| 291 | S | 76.3 | Confident | 76.2 | Confident | 44 Ų | 44 | 51.7 Ų | 51.7 | 31% | 0.308 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -81.6 | -19.9 | 178.8 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | D287 T288 | D287-S291 VanDerWaalsContact O-CB 3.27Å; D287-S291 WeakPolarHBondContact O-CB 3.41Å; D287-S291 PolarHBondContact O-N 3.08Å; D287-S291 PolarHBondContact O-OG 2.99Å; T288-S291 WeakPolarHBondContact CA-OG 3.21Å; T288-S291 PolarHBondContact O-N 2.86Å; T288-S291 PolarHBondContact O-OG 3.45Å |
| 292 | T | 78.3 | Confident | 75.5 | Confident | 48 Ų | 48 | 55.2 Ų | 55.2 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 17.2 | 179.3 | 58.8 | 0 | 0 | 0 | 0 | 114.3 | T288 A294 E304 F306 | T288-T292 WeakPolarHBondContact O-CG2 3.41Å; T288-T292 PolarHBondContact O-N 2.9Å; T288-T292 VanDerWaalsContact O-N 3.1Å; T288-T292 PolarHBondContact O-OG1 3.48Å; T292-A294 PolarHBondContact O-N 3.09Å; T292-E304 WeakPolarHBondContact CB-O 3.32Å; T292-E304 WeakPolarHBondContact CG2-O 3.46Å; T292-E304 PolarHBondContact OG1-N 2.89Å; T292-E304 VanDerWaalsContact OG1-N 3.14Å; T292-E304 PolarHBondContact OG1-O 3.36Å; T292-F306 HydrophobicContact CG2-CE1 3.77Å |
| 293 | L | 74.4 | Confident | 74.8 | Confident | 35 Ų | 35 | 55.1 Ų | 55.1 | 18% | 0.183 | 30% | 0.299 | C | S | . | . | trans | -52.5 | 125 | 173.3 | -82.8 | 166.6 | 0 | 0 | 0 | 110.8 | L290 N295 | L290-L293 WeakPolarHBondContact O-CD1 3.28Å; L293-N295 VanDerWaalsContact C-N 3.25Å; L293-N295 PolarHBondContact O-N 3.37Å | ||
| 294 | A | 64.3 | Low | 74.3 | Confident | 85 Ų | 85 | 59.3 Ų | 59.3 | 70% | 0.702 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -64.3 | -32.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T292 E302 | T292-A294 PolarHBondContact O-N 3.09Å; A294-E302 PolarHBondContact N-O 2.57Å |
| 295 | N | 67 | Low | 73.5 | Confident | 69 Ų | 69 | 57.5 Ų | 57.5 | 37% | 0.369 | 31% | 0.31 | S | S | . | . | trans | -129.9 | 113.9 | 168.4 | -173.4 | -6.1 | 0 | 0 | 0 | 110 | L293 E297 D298 S301 | L293-N295 VanDerWaalsContact C-N 3.25Å; L293-N295 PolarHBondContact O-N 3.37Å; N295-E297 PolarHBondContact O-N 3.04Å; N295-E297 PolarHBondContact OD1-N 3.32Å; N295-E297 VanDerWaalsContact OD1-N 3.11Å; N295-D298 HydrophobicContact CB-CB 4.09Å; N295-D298 CarbonylContact O-C 3.23Å; N295-D298 PolarHBondContact O-N 3.11Å; N295-D298 VanDerWaalsContact O-N 3.17Å; N295-S301 PolarHBondContact N-OG 2.82Å; N295-S301 PolarHBondContact O-OG 2.9Å | ||
| 296 | P | 64.8 | Low | 73.1 | Confident | 112 Ų | 112 | 57.4 Ų | 57.4 | 73% | 0.727 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -22.2 | 179.6 | -21.2 | 32 | 0 | 0 | 0 | 114.4 | ||
| 297 | E | 62.3 | Low | 72.4 | Confident | 187 Ų | 187 | 59.6 Ų | 59.6 | 87% | 0.874 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -15.4 | -179.8 | -60.8 | -172.6 | 167.1 | 0 | 0 | 112.7 | N295 | N295-E297 PolarHBondContact O-N 3.04Å; N295-E297 PolarHBondContact OD1-N 3.32Å; N295-E297 VanDerWaalsContact OD1-N 3.11Å |
| 298 | D | 66.5 | Low | 71.3 | Confident | 71 Ų | 71 | 61.7 Ų | 61.7 | 38% | 0.38 | 33% | 0.333 | S | S | . | . | trans | -120.5 | 105.9 | -179.4 | -177.5 | 9.1 | 0 | 0 | 0 | 111.7 | N295 E300 S301 | N295-D298 HydrophobicContact CB-CB 4.09Å; N295-D298 CarbonylContact O-C 3.23Å; N295-D298 PolarHBondContact O-N 3.11Å; N295-D298 VanDerWaalsContact O-N 3.17Å; D298-E300 PolarHBondContact O-N 3.14Å; D298-E300 PolarHBondContact OD1-N 3.23Å; D298-S301 WeakPolarHBondContact O-CB 3.36Å; D298-S301 PolarHBondContact O-N 3.27Å; D298-S301 PolarHBondContact O-OG 3.16Å | ||
| 299 | M | 60.1 | Low | 70.1 | Confident | 95 Ų | 95 | 68 Ų | 68 | 47% | 0.468 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -20.8 | 178.9 | -91 | -168 | -79.2 | 0 | 0 | 114.3 | L10 R13 P88 S301 | L10-M299 HydrophobicContact CD1-CB 4.11Å; R13-M299 PolarHBondContact NH1-O 3.49Å; P88-M299 HydrophobicContact CB-SD 4.39Å; P88-M299 HydrophobicContact CG-CE 3.4Å; P88-M299 VanDerWaalsContact CG-CE 3.4Å; P88-M299 HydrophobicContact CG-CG 3.87Å; P88-M299 HydrophobicContact CG-SD 3.13Å; P88-M299 WeakPolarHBondContact CG-SD 3.46Å; M299-S301 PolarHBondContact O-N 3.08Å |
| 300 | E | 63.5 | Low | 69.2 | Low | 150 Ų | 150 | 72 Ų | 72 | 70% | 0.701 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -13.5 | 178.4 | -65.3 | -167.9 | 161.3 | 0 | 0 | 112.7 | L10 D298 | L10-E300 HydrophobicContact CD2-CG 4.02Å; D298-E300 PolarHBondContact O-N 3.14Å; D298-E300 PolarHBondContact OD1-N 3.23Å |
| 301 | S | 64.6 | Low | 68.4 | Low | 17 Ų | 17 | 73.3 Ų | 73.3 | 12% | 0.119 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -61 | 142.4 | 179.6 | 66.8 | 0 | 0 | 0 | 0 | 112.4 | R13 N295 D298 M299 | R13-S301 PolarHBondContact NH1-O 2.89Å; R13-S301 PolarHBondContact NH2-O 3.15Å; N295-S301 PolarHBondContact N-OG 2.82Å; N295-S301 PolarHBondContact O-OG 2.9Å; D298-S301 WeakPolarHBondContact O-CB 3.36Å; D298-S301 PolarHBondContact O-N 3.27Å; D298-S301 PolarHBondContact O-OG 3.16Å; M299-S301 PolarHBondContact O-N 3.08Å |
| 302 | E | 74.1 | Confident | 67.5 | Low | 122 Ų | 122 | 74.4 Ų | 74.4 | 57% | 0.57 | 39% | 0.394 | S | S | * | . | trans | -63.1 | 150.8 | 176.8 | -67.6 | -167.1 | 176.4 | 0 | 0 | 111.6 | R13 A294 | R13-E302 VanDerWaalsContact NH2-C 3.34Å; A294-E302 PolarHBondContact N-O 2.57Å | ||
| 303 | S | 77.1 | Confident | 66.5 | Low | 4 Ų | 4 | 80.4 Ų | 80.4 | 3% | 0.028 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 165.1 | 175.5 | 82.4 | 0 | 0 | 0 | 0 | 112.3 | F8 R13 S289 | F8-S303 PolarHBondContact N-O 2.75Å; F8-S303 PolarHBondContact O-N 3.08Å; R13-S303 PolarHBondContact NE-OG 3.45Å; R13-S303 PolarHBondContact NH2-OG 3.03Å; S289-S303 VanDerWaalsContact O-CB 3.23Å; S289-S303 WeakPolarHBondContact O-CB 3.46Å; S289-S303 PolarHBondContact O-OG 3.49Å |
| 304 | E | 78.1 | Confident | 66.1 | Low | 89 Ų | 89 | 83.2 Ų | 83.2 | 42% | 0.416 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 121.7 | -178.5 | -62 | -169 | 159.3 | 0 | 0 | 110.3 | V5 K7 T292 | V5-E304 HydrophobicContact CG1-CB 4Å; V5-E304 HydrophobicContact CG1-CG 4.33Å; K7-E304 HydrophobicContact CG-CG 4.43Å; T292-E304 WeakPolarHBondContact CB-O 3.32Å; T292-E304 WeakPolarHBondContact CG2-O 3.46Å; T292-E304 PolarHBondContact OG1-N 2.89Å; T292-E304 VanDerWaalsContact OG1-N 3.14Å; T292-E304 PolarHBondContact OG1-O 3.36Å |
| 305 | G | 74.1 | Confident | 66.1 | Low | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 140.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V5 V6 T288 | V5-G305 CarbonylContact C-O 3.49Å; V5-G305 WeakPolarHBondContact CA-O 3.37Å; V6-G305 PolarHBondContact N-O 2.93Å; V6-G305 PolarHBondContact O-N 3.06Å; T288-G305 WeakPolarHBondContact OG1-CA 3.37Å |
| 306 | F | 77.6 | Confident | 65.9 | Low | 32 Ų | 32 | 84.4 Ų | 84.4 | 14% | 0.14 | 42% | 0.417 | C | S | . | . | trans | -143.2 | 150 | -178.7 | 52.2 | -98.7 | 0 | 0 | 0 | 111.4 | A2 V5 T288 T292 E309 | A2-F306 HydrophobicContact CB-CB 4.11Å; A2-F306 HydrophobicContact CB-CD1 4.49Å; A2-F306 HydrophobicContact CB-CD2 4.47Å; A2-F306 HydrophobicContact CB-CG 4.13Å; V5-F306 HydrophobicContact CG2-CB 4.21Å; T288-F306 HydrophobicContact CG2-CD1 4.48Å; T288-F306 HydrophobicContact CG2-CD2 3.82Å; T288-F306 HydrophobicContact CG2-CE1 4.35Å; T288-F306 HydrophobicContact CG2-CE2 3.65Å; T288-F306 HydrophobicContact CG2-CG 4.24Å; T288-F306 HydrophobicContact CG2-CZ 3.94Å; T288-F306 WeakPolarHBondContact CG2-O 3.48Å; T288-F306 PolarHBondContact OG1-N 2.99Å; T288-F306 PolarHBondContact OG1-O 3.31Å; T292-F306 HydrophobicContact CG2-CE1 3.77Å; F306-E309 HydrophobicContact CD2-CB 4.47Å; F306-E309 HydrophobicContact CE2-CB 3.77Å; F306-E309 HydrophobicContact CE2-CG 4.08Å; F306-E309 HydrophobicContact CZ-CG 4.33Å | ||
| 307 | L | 69.4 | Low | 66.2 | Low | 50 Ų | 50 | 83.4 Ų | 83.4 | 26% | 0.262 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -79 | -39.9 | -178.5 | -178.1 | 61.1 | 0 | 0 | 0 | 112 | L3 L4 V281 Q284 Y285 | L3-L307 PolarHBondContact O-N 3Å; L4-L307 HydrophobicContact CD1-CD2 4.06Å; V281-L307 HydrophobicContact CB-CD1 4.35Å; V281-L307 HydrophobicContact CG1-CD1 4Å; V281-L307 HydrophobicContact CG2-CD1 3.99Å; Q284-L307 HydrophobicContact CG-CD1 4.25Å; Y285-L307 HydrophobicContact CE2-CB 4.4Å |
| 308 | L | 62.8 | Low | 66.4 | Low | 49 Ų | 49 | 77.1 Ų | 77.1 | 26% | 0.257 | 38% | 0.381 | S | S | . | . | B | Isolated β-bridge | trans | -136.3 | 133.2 | 177 | -67.2 | 168.7 | 0 | 0 | 0 | 109.9 | A2 L3 K310 V312 T315 | A2-L308 WeakPolarHBondContact CA-O 3.41Å; L3-L308 HydrophobicContact CB-CB 4.39Å; L3-L308 HydrophobicContact CD1-CD1 4.47Å; L3-L308 PolarHBondContact N-O 3.04Å; L308-K310 WeakPolarHBondContact CB-O 3.39Å; L308-K310 PolarHBondContact O-N 3.46Å; L308-V312 HydrophobicContact CD1-CB 4.47Å; L308-V312 HydrophobicContact CD1-CG2 3.67Å; L308-T315 HydrophobicContact CD2-CG2 4.19Å |
| 309 | E | 58.2 | Low | 66.4 | Low | 134 Ų | 134 | 77.4 Ų | 77.4 | 63% | 0.626 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -66.5 | -28.6 | 175 | -162.7 | 177.8 | 167.1 | 0 | 0 | 111.7 | F306 | F306-E309 HydrophobicContact CD2-CB 4.47Å; F306-E309 HydrophobicContact CE2-CB 3.77Å; F306-E309 HydrophobicContact CE2-CG 4.08Å; F306-E309 HydrophobicContact CZ-CG 4.33Å |
| 310 | K | 62.6 | Low | 66.7 | Low | 88 Ų | 88 | 79.5 Ų | 79.5 | 38% | 0.383 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -128.2 | 168.7 | -179.9 | -59.4 | -178.3 | -174.5 | 173.4 | 0 | 111.4 | L308 E314 D318 | L308-K310 WeakPolarHBondContact CB-O 3.39Å; L308-K310 PolarHBondContact O-N 3.46Å; K310-E314 HydrophobicContact CB-CB 4.04Å; K310-D318 IonicContact NZ-OD2 2.83Å; K310-D318 PolarHBondContact NZ-OD2 3.04Å |
| 311 | T | 60.8 | Low | 67.1 | Low | 58 Ų | 58 | 75 Ų | 75 | 36% | 0.356 | 38% | 0.381 | S | S | . | . | trans | -64.5 | 147.8 | 177.8 | -41 | 0 | 0 | 0 | 0 | 110.5 | L3 K313 E314 T315 | L3-T311 HydrophobicContact CD1-CG2 4.35Å; T311-K313 PolarHBondContact O-N 3.25Å; T311-K313 VanDerWaalsContact O-N 3.08Å; T311-E314 WeakPolarHBondContact CB-OE2 3.48Å; T311-E314 PolarHBondContact N-OE2 3.22Å; T311-E314 WeakPolarHBondContact O-CA 3.31Å; T311-E314 WeakPolarHBondContact O-CB 3.46Å; T311-E314 PolarHBondContact O-N 2.63Å; T311-E314 PolarHBondContact OG1-OE2 2.91Å; T311-T315 PolarHBondContact O-N 2.69Å; T311-T315 PolarHBondContact O-OG1 3.29Å | ||
| 312 | V | 57.9 | Low | 67.6 | Low | 68 Ų | 68 | 80 Ų | 80 | 41% | 0.412 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -45.6 | -47 | 179.3 | 179.1 | 0 | 0 | 0 | 0 | 112.2 | L3 L308 E314 T315 F316 | L3-V312 HydrophobicContact CD1-CG2 4.02Å; L308-V312 HydrophobicContact CD1-CB 4.47Å; L308-V312 HydrophobicContact CD1-CG2 3.67Å; V312-E314 PolarHBondContact O-N 3.23Å; V312-T315 PolarHBondContact O-N 3.24Å; V312-F316 HydrophobicContact CG1-CD2 3.7Å; V312-F316 HydrophobicContact CG1-CE2 3.75Å; V312-F316 VanDerWaalsContact O-CD2 3.3Å; V312-F316 WeakPolarHBondContact O-CD2 3.45Å; V312-F316 PolarHBondContact O-N 3.24Å |
| 313 | K | 57.3 | Low | 67.2 | Low | 173 Ų | 173 | 80.4 Ų | 80.4 | 75% | 0.752 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -58.7 | -44.8 | 177.4 | -71 | -174.9 | 178.2 | -179 | 0 | 112.9 | T311 F316 T317 | T311-K313 PolarHBondContact O-N 3.25Å; T311-K313 VanDerWaalsContact O-N 3.08Å; K313-F316 PolarHBondContact O-N 3.03Å; K313-T317 PolarHBondContact O-N 3.05Å; K313-T317 PolarHBondContact O-OG1 3.19Å; K313-T317 VanDerWaalsContact O-OG1 3.08Å |
| 314 | E | 65.9 | Low | 66.9 | Low | 94 Ų | 94 | 87 Ų | 87 | 44% | 0.439 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.4 | -40.6 | -179.1 | -66.3 | 172.9 | 144.2 | 0 | 0 | 111.2 | K310 T311 V312 T317 D318 | K310-E314 HydrophobicContact CB-CB 4.04Å; T311-E314 WeakPolarHBondContact CB-OE2 3.48Å; T311-E314 PolarHBondContact N-OE2 3.22Å; T311-E314 WeakPolarHBondContact O-CA 3.31Å; T311-E314 WeakPolarHBondContact O-CB 3.46Å; T311-E314 PolarHBondContact O-N 2.63Å; T311-E314 PolarHBondContact OG1-OE2 2.91Å; V312-E314 PolarHBondContact O-N 3.23Å; E314-T317 VanDerWaalsContact C-OG1 3.31Å; E314-T317 VanDerWaalsContact CA-OG1 3.25Å; E314-T317 WeakPolarHBondContact CA-OG1 3.47Å; E314-T317 PolarHBondContact O-N 3.36Å; E314-T317 PolarHBondContact O-OG1 3.04Å; E314-D318 VanDerWaalsContact O-CB 3.32Å; E314-D318 WeakPolarHBondContact O-CB 3.43Å; E314-D318 PolarHBondContact O-N 3.21Å |
| 315 | T | 63.5 | Low | 66.6 | Low | 34 Ų | 34 | 85.8 Ų | 85.8 | 21% | 0.209 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 175.5 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | L308 T311 V312 D318 I319 | L308-T315 HydrophobicContact CD2-CG2 4.19Å; T311-T315 PolarHBondContact O-N 2.69Å; T311-T315 PolarHBondContact O-OG1 3.29Å; V312-T315 PolarHBondContact O-N 3.24Å; T315-D318 PolarHBondContact O-N 3.04Å; T315-I319 HydrophobicContact CG2-CD1 3.88Å; T315-I319 HydrophobicContact CG2-CG1 4.49Å; T315-I319 WeakPolarHBondContact O-CB 3.45Å; T315-I319 VanDerWaalsContact O-CG1 3.23Å; T315-I319 WeakPolarHBondContact O-CG1 3.36Å; T315-I319 PolarHBondContact O-N 3.08Å |
| 316 | F | 62 | Low | 66 | Low | 145 Ų | 145 | 92.5 Ų | 92.5 | 64% | 0.636 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.1 | -40.7 | 175.4 | -91 | -80.8 | 0 | 0 | 0 | 112.5 | V312 K313 I319 M320 | V312-F316 HydrophobicContact CG1-CD2 3.7Å; V312-F316 HydrophobicContact CG1-CE2 3.75Å; V312-F316 VanDerWaalsContact O-CD2 3.3Å; V312-F316 WeakPolarHBondContact O-CD2 3.45Å; V312-F316 PolarHBondContact O-N 3.24Å; K313-F316 PolarHBondContact O-N 3.03Å; F316-I319 PolarHBondContact O-N 3.4Å; F316-M320 VanDerWaalsContact O-CB 3.31Å; F316-M320 WeakPolarHBondContact O-CB 3.41Å; F316-M320 PolarHBondContact O-N 2.79Å |
| 317 | T | 70.8 | Confident | 64.6 | Low | 92 Ų | 92 | 93.7 Ų | 93.7 | 56% | 0.564 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.9 | -37.9 | 175.6 | 45.6 | 0 | 0 | 0 | 0 | 112.7 | K313 E314 M320 A321 | K313-T317 PolarHBondContact O-N 3.05Å; K313-T317 PolarHBondContact O-OG1 3.19Å; K313-T317 VanDerWaalsContact O-OG1 3.08Å; E314-T317 VanDerWaalsContact C-OG1 3.31Å; E314-T317 VanDerWaalsContact CA-OG1 3.25Å; E314-T317 WeakPolarHBondContact CA-OG1 3.47Å; E314-T317 PolarHBondContact O-N 3.36Å; E314-T317 PolarHBondContact O-OG1 3.04Å; T317-M320 PolarHBondContact O-N 3.38Å; T317-A321 VanDerWaalsContact O-CB 3.28Å; T317-A321 WeakPolarHBondContact O-CB 3.39Å; T317-A321 PolarHBondContact O-N 2.96Å |
| 318 | D | 68.3 | Low | 63.9 | Low | 54 Ų | 54 | 98.5 Ų | 98.5 | 29% | 0.289 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.9 | -40.3 | 178.4 | -156.6 | 0.9 | 0 | 0 | 0 | 110.8 | K310 E314 T315 A321 K322 | K310-D318 IonicContact NZ-OD2 2.83Å; K310-D318 PolarHBondContact NZ-OD2 3.04Å; E314-D318 VanDerWaalsContact O-CB 3.32Å; E314-D318 WeakPolarHBondContact O-CB 3.43Å; E314-D318 PolarHBondContact O-N 3.21Å; T315-D318 PolarHBondContact O-N 3.04Å; D318-A321 PolarHBondContact O-N 3.01Å; D318-K322 WeakPolarHBondContact O-CB 3.4Å; D318-K322 WeakPolarHBondContact O-CG 3.44Å; D318-K322 PolarHBondContact O-N 3.26Å |
| 319 | I | 66.1 | Low | 62.9 | Low | 77 Ų | 77 | 99.3 Ų | 99.3 | 40% | 0.395 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 172.8 | -70.2 | 169.1 | 0 | 0 | 0 | 111.1 | T315 F316 A321 K322 M323 | T315-I319 HydrophobicContact CG2-CD1 3.88Å; T315-I319 HydrophobicContact CG2-CG1 4.49Å; T315-I319 WeakPolarHBondContact O-CB 3.45Å; T315-I319 VanDerWaalsContact O-CG1 3.23Å; T315-I319 WeakPolarHBondContact O-CG1 3.36Å; T315-I319 PolarHBondContact O-N 3.08Å; F316-I319 PolarHBondContact O-N 3.4Å; I319-A321 VanDerWaalsContact C-N 3.32Å; I319-A321 PolarHBondContact O-N 2.87Å; I319-K322 PolarHBondContact O-N 3.33Å; I319-M323 HydrophobicContact CG2-CE 3.82Å; I319-M323 PolarHBondContact O-N 2.91Å |
| 320 | M | 65.6 | Low | 61.9 | Low | 139 Ų | 139 | 96.8 Ų | 96.8 | 69% | 0.685 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.3 | -39 | 178.1 | -173.9 | 179.9 | -79.7 | 0 | 0 | 111.4 | F316 T317 K324 | F316-M320 VanDerWaalsContact O-CB 3.31Å; F316-M320 WeakPolarHBondContact O-CB 3.41Å; F316-M320 PolarHBondContact O-N 2.79Å; T317-M320 PolarHBondContact O-N 3.38Å; M320-K324 VanDerWaalsContact O-CB 3.27Å; M320-K324 WeakPolarHBondContact O-CB 3.25Å; M320-K324 PolarHBondContact O-N 2.85Å |
| 321 | A | 72.7 | Confident | 60.6 | Low | 56 Ų | 56 | 101.7 Ų | 101.7 | 46% | 0.463 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.5 | -43.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T317 D318 I319 K324 A325 | T317-A321 VanDerWaalsContact O-CB 3.28Å; T317-A321 WeakPolarHBondContact O-CB 3.39Å; T317-A321 PolarHBondContact O-N 2.96Å; D318-A321 PolarHBondContact O-N 3.01Å; I319-A321 VanDerWaalsContact C-N 3.32Å; I319-A321 PolarHBondContact O-N 2.87Å; A321-K324 PolarHBondContact O-N 3.25Å; A321-A325 WeakPolarHBondContact O-CB 3.47Å; A321-A325 PolarHBondContact O-N 3.06Å |
| 322 | K | 74 | Confident | 59.3 | Low | 122 Ų | 122 | 105.1 Ų | 105.1 | 53% | 0.53 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.4 | -40.5 | 176.2 | -75 | 177.4 | -177.4 | 177.8 | 0 | 113 | D318 I319 A325 M326 | D318-K322 WeakPolarHBondContact O-CB 3.4Å; D318-K322 WeakPolarHBondContact O-CG 3.44Å; D318-K322 PolarHBondContact O-N 3.26Å; I319-K322 PolarHBondContact O-N 3.33Å; K322-A325 PolarHBondContact O-N 3.28Å; K322-M326 HydrophobicContact CB-CE 4.49Å; K322-M326 PolarHBondContact O-N 3.17Å |
| 323 | M | 67.1 | Low | 58.3 | Low | 130 Ų | 130 | 110.7 Ų | 110.7 | 64% | 0.64 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.7 | -42.5 | 172.7 | -76.8 | -171.1 | -169.8 | 0 | 0 | 111.5 | I319 A325 M326 G327 | I319-M323 HydrophobicContact CG2-CE 3.82Å; I319-M323 PolarHBondContact O-N 2.91Å; M323-A325 VanDerWaalsContact C-N 3.31Å; M323-A325 PolarHBondContact O-N 3.21Å; M323-M326 PolarHBondContact O-N 3.35Å; M323-G327 PolarHBondContact O-N 3.27Å |
| 324 | K | 69.8 | Low | 56.9 | Low | 143 Ų | 143 | 111.8 Ų | 111.8 | 62% | 0.622 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.8 | -33.5 | 176.7 | -167.8 | 174 | -174.2 | 175.7 | 0 | 112.4 | M320 A321 K328 | M320-K324 VanDerWaalsContact O-CB 3.27Å; M320-K324 WeakPolarHBondContact O-CB 3.25Å; M320-K324 PolarHBondContact O-N 2.85Å; A321-K324 PolarHBondContact O-N 3.25Å; K324-K328 WeakPolarHBondContact O-CG 2.8Å; K324-K328 PolarHBondContact O-N 3.16Å |
| 325 | A | 71.7 | Confident | 55.3 | Low | 63 Ų | 63 | 110.9 Ų | 110.9 | 52% | 0.521 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -71.3 | -43.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A321 K322 M323 G327 K328 G329 | A321-A325 WeakPolarHBondContact O-CB 3.47Å; A321-A325 PolarHBondContact O-N 3.06Å; K322-A325 PolarHBondContact O-N 3.28Å; M323-A325 VanDerWaalsContact C-N 3.31Å; M323-A325 PolarHBondContact O-N 3.21Å; A325-G327 PolarHBondContact O-N 2.83Å; A325-K328 PolarHBondContact O-N 3.11Å; A325-G329 PolarHBondContact O-N 3.35Å; A325-G329 VanDerWaalsContact O-N 3.13Å |
| 326 | M | 62.2 | Low | 53.6 | Low | 141 Ų | 141 | 112.9 Ų | 112.9 | 70% | 0.695 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -63.4 | -38.9 | 173.7 | -86 | -177.3 | -81.9 | 0 | 0 | 112.5 | K322 M323 K328 G329 | K322-M326 HydrophobicContact CB-CE 4.49Å; K322-M326 PolarHBondContact O-N 3.17Å; M323-M326 PolarHBondContact O-N 3.35Å; M326-K328 VanDerWaalsContact C-N 3.27Å; M326-K328 PolarHBondContact O-N 3.13Å; M326-G329 PolarHBondContact O-N 3.24Å |
| 327 | G | 49.1 | Very low | 52.1 | Low | 58 Ų | 58 | 115.3 Ų | 115.3 | 60% | 0.598 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -67.9 | -22.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | M323 A325 | M323-G327 PolarHBondContact O-N 3.27Å; A325-G327 PolarHBondContact O-N 2.83Å |
| 328 | K | 54.3 | Low | 50.2 | Low | 151 Ų | 151 | 120.5 Ų | 120.5 | 66% | 0.657 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -82.9 | -27.8 | 173.2 | -80.5 | -177.4 | 173.5 | -168.2 | 0 | 113.1 | K324 A325 M326 A330 K331 | K324-K328 WeakPolarHBondContact O-CG 2.8Å; K324-K328 PolarHBondContact O-N 3.16Å; A325-K328 PolarHBondContact O-N 3.11Å; M326-K328 VanDerWaalsContact C-N 3.27Å; M326-K328 PolarHBondContact O-N 3.13Å; K328-A330 PolarHBondContact O-N 3.23Å; K328-K331 PolarHBondContact O-N 3.16Å |
| 329 | G | 41.3 | Very low | 48.5 | Very low | 65 Ų | 65 | 121.1 Ų | 121.1 | 67% | 0.67 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -7.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | A325 M326 | A325-G329 PolarHBondContact O-N 3.35Å; A325-G329 VanDerWaalsContact O-N 3.13Å; M326-G329 PolarHBondContact O-N 3.24Å |
| 330 | A | 36.8 | Very low | 46.9 | Very low | 82 Ų | 82 | 124 Ų | 124 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -2.7 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | K328 V332 | K328-A330 PolarHBondContact O-N 3.23Å; A330-V332 PolarHBondContact O-N 3.31Å |
| 331 | K | 34.8 | Very low | 45.2 | Very low | 191 Ų | 191 | 122.1 Ų | 122.1 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | trans | -89.8 | 89.2 | 165.8 | -81.5 | -168.6 | 172.8 | -168.5 | 0 | 108.7 | K328 | K328-K331 PolarHBondContact O-N 3.16Š| ||
| 332 | V | 35.2 | Very low | 43.3 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 79% | 0.788 | 74% | 0.742 | S | S | * | * | trans | -64.6 | 132.9 | 164.4 | 177.4 | 0 | 0 | 0 | 0 | 107.8 | A330 E334 | A330-V332 PolarHBondContact O-N 3.31Å; V332-E334 PolarHBondContact O-N 3.26Å | ||
| 333 | E | 35.5 | Very low | 41.3 | Very low | 185 Ų | 185 | 126.5 Ų | 126.5 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | -55.7 | 110.7 | 172.6 | -68.4 | 173.6 | 145.7 | 0 | 0 | 109.8 | G335 | E333-G335 PolarHBondContact O-N 3.23Š| ||
| 334 | E | 28.8 | Very low | 39.7 | Very low | 195 Ų | 195 | 129.3 Ų | 129.3 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 117.7 | 156.6 | -91.1 | -178.5 | 150.5 | 0 | 0 | 107 | V332 G336 | V332-E334 PolarHBondContact O-N 3.26Å; E334-G336 PolarHBondContact O-N 2.61Å |
| 335 | G | 31.7 | Very low | 38.2 | Very low | 76 Ų | 76 | 128.6 Ų | 128.6 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 127.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E333 E337 | E333-G335 PolarHBondContact O-N 3.23Å; G335-E337 PolarHBondContact O-N 2.87Å |
| 336 | G | 28.7 | Very low | 36.4 | Very low | 76 Ų | 76 | 132.1 Ų | 132.1 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 129.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E334 E338 | E334-G336 PolarHBondContact O-N 2.61Å; G336-E338 PolarHBondContact O-N 3.13Å |
| 337 | E | 30.4 | Very low | 35 | Very low | 196 Ų | 196 | 131.6 Ų | 131.6 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 121.5 | 165 | -65.5 | 171.6 | 136.1 | 0 | 0 | 110.3 | G335 | G335-E337 PolarHBondContact O-N 2.87Š|
| 338 | E | 31.4 | Very low | 34.2 | Very low | 200 Ų | 200 | 135.9 Ų | 135.9 | 94% | 0.935 | 83% | 0.831 | S | S | * | * | trans | -93.5 | 113.6 | 157.7 | -78.8 | -168 | 162.2 | 0 | 0 | 108.9 | G336 | G336-E338 PolarHBondContact O-N 3.13Š| ||
| 339 | G | 32.4 | Very low | 32.9 | Very low | 67 Ų | 67 | 134.9 Ų | 134.9 | 69% | 0.691 | 84% | 0.842 | S | S | * | * | trans | -82.1 | 129.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 340 | V | 31.8 | Very low | 32.4 | Very low | 138 Ų | 138 | 139.6 Ų | 139.6 | 84% | 0.836 | 85% | 0.854 | S | S | * | * | trans | 70.9 | 118.3 | 133.9 | -169.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 341 | A | 29.8 | Very low | 32.1 | Very low | 100 Ų | 100 | 143.7 Ų | 143.7 | 83% | 0.826 | 87% | 0.866 | S | S | * | * | -160.3 | 108 | 127.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 342 | T | 33.3 | Very low | 31.9 | Very low | 130 Ų | 130 | 140.1 Ų | 140.1 | 80% | 0.798 | 87% | 0.869 | S | S | * | * | trans | -81.1 | 145.6 | 153.2 | 32 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 343 | V | 32.3 | Very low | 31.6 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 84% | 0.842 | 88% | 0.876 | S | S | * | * | trans | 144.5 | 101.3 | 142.6 | 176.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 344 | S | 32.8 | Very low | 31.2 | Very low | 189 Ų | 189 | 136.9 Ų | 136.9 | 100% | 1.322 | 88% | 0.877 | S | S | * | * | -176.1 | 0 | 102.7 | -137.3 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 344 of 344 residues in 91.8 ms
(Link to these results)