| 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 | 48.6 | Very low | 83.8 | Confident | 155 Ų | 155 | 85 Ų | 85 | 76% | 0.764 | 49% | 0.488 | S | S | * | . | 0 | 133 | 0 | -65 | 175.5 | -165.6 | 0 | 0 | 107.4 | T3 A316 | M1-T3 PolarHBondContact O-N 2.61Å; M1-A316 HydrophobicContact CE-CB 4.19Å | |||
| 2 | N | 53.7 | Low | 85 | Confident | 179 Ų | 179 | 77.9 Ų | 77.9 | 96% | 0.957 | 45% | 0.448 | S | S | * | . | trans | -78 | 55.7 | 177.4 | -84.4 | -3.6 | 0 | 0 | 0 | 111.5 | ||||
| 3 | T | 64.7 | Low | 85.9 | Confident | 59 Ų | 59 | 79 Ų | 79 | 36% | 0.362 | 44% | 0.444 | S | S | . | . | trans | -88.1 | 119.3 | 176.9 | -39.6 | 0 | 0 | 0 | 0 | 108.5 | M1 F5 | M1-T3 PolarHBondContact O-N 2.61Å; T3-F5 HydrophobicContact CG2-CD1 4.46Å; T3-F5 HydrophobicContact CG2-CE1 4.21Å; T3-F5 PolarHBondContact O-N 2.92Å | ||
| 4 | T | 84.5 | Confident | 86.7 | Confident | 125 Ų | 125 | 79.8 Ų | 79.8 | 77% | 0.767 | 44% | 0.442 | S | S | * | . | trans | -80.3 | 100.3 | 173.3 | -48.2 | 0 | 0 | 0 | 0 | 108.8 | Y11 | T4-Y11 PolarHBondContact O-OH 3.21Š| ||
| 5 | F | 95.5 | Very high | 87.4 | Confident | 25 Ų | 25 | 75.6 Ų | 75.6 | 11% | 0.11 | 42% | 0.419 | C | S | . | . | trans | -73 | 155.5 | 175 | -64.5 | -61.5 | 0 | 0 | 0 | 112.1 | T3 Y11 L15 A323 Y324 F327 | T3-F5 HydrophobicContact CG2-CD1 4.46Å; T3-F5 HydrophobicContact CG2-CE1 4.21Å; T3-F5 PolarHBondContact O-N 2.92Å; F5-Y11 HydrophobicContact CB-CE1 4.33Å; F5-Y11 HydrophobicContact CD1-CE1 4.16Å; F5-L15 HydrophobicContact CD1-CD1 4.18Å; F5-L15 HydrophobicContact CE1-CD1 4.28Å; F5-A323 HydrophobicContact CE2-CB 3.92Å; F5-A323 HydrophobicContact CZ-CB 4.37Å; F5-Y324 HydrophobicContact CB-CD2 4.03Å; F5-Y324 HydrophobicContact CB-CE2 4.38Å; F5-Y324 AromaticContact CD1-CD2 3.58Å; F5-Y324 HydrophobicContact CD1-CD2 3.58Å; F5-Y324 HydrophobicContact CD1-CE2 4.36Å; F5-Y324 HydrophobicContact CD1-CG 4.33Å; F5-Y324 HydrophobicContact CD2-CD2 4.4Å; F5-Y324 HydrophobicContact CE1-CD2 4.07Å; F5-Y324 HydrophobicContact CE1-CG 4.38Å; F5-Y324 AromaticContact CG-CD2 3.77Å; F5-Y324 HydrophobicContact CG-CD2 3.77Å; F5-F327 HydrophobicContact CB-CB 4.38Å; F5-F327 HydrophobicContact CB-CD1 3.5Å; F5-F327 VanDerWaalsContact CB-CD1 3.5Å; F5-F327 HydrophobicContact CB-CD2 3.99Å; F5-F327 HydrophobicContact CB-CE1 3.67Å; F5-F327 HydrophobicContact CB-CE2 4.11Å; F5-F327 HydrophobicContact CB-CG 3.67Å; F5-F327 HydrophobicContact CB-CZ 3.96Å; F5-F327 HydrophobicContact CD2-CB 4Å; F5-F327 HydrophobicContact CD2-CG 4.19Å; F5-F327 HydrophobicContact CG-CD1 4.37Å; F5-F327 HydrophobicContact CG-CG 4.35Å; F5-F327 VanDerWaalsContact O-CZ 3.26Å; F5-F327 WeakPolarHBondContact O-CZ 3.37Å | ||
| 6 | Q | 95.5 | Very high | 88.1 | Confident | 121 Ų | 121 | 71.5 Ų | 71.5 | 57% | 0.565 | 40% | 0.396 | S | S | * | . | trans | -122.6 | 154.5 | 172.4 | -56.5 | -179.5 | 21.9 | 0 | 0 | 109.6 | Y11 | Q6-Y11 HydrophobicContact CB-CD1 3.85Å; Q6-Y11 HydrophobicContact CB-CD2 4.03Å; Q6-Y11 HydrophobicContact CB-CE1 4.12Å; Q6-Y11 HydrophobicContact CB-CE2 4.3Å; Q6-Y11 HydrophobicContact CB-CG 3.8Å; Q6-Y11 HydrophobicContact CG-CD2 4.29Å; Q6-Y11 HydrophobicContact CG-CE2 4.22Å; Q6-Y11 WeakPolarHBondContact O-CD1 3.28Å | ||
| 7 | T | 93.7 | Very high | 88.6 | Confident | 66 Ų | 66 | 74.2 Ų | 74.2 | 41% | 0.405 | 42% | 0.415 | S | S | . | . | trans | -80.3 | 167.2 | 172.9 | 61 | 0 | 0 | 0 | 0 | 110.7 | F327 L328 K331 | T7-F327 HydrophobicContact CG2-CE1 3.92Å; T7-F327 HydrophobicContact CG2-CZ 4.13Å; T7-L328 HydrophobicContact CG2-CD2 4.15Å; T7-K331 HydrophobicContact CG2-CB 3.91Å; T7-K331 HydrophobicContact CG2-CG 4.32Å | ||
| 8 | G | 94.5 | Very high | 89 | Confident | 31 Ų | 31 | 77.2 Ų | 77.2 | 32% | 0.32 | 42% | 0.423 | S | S | . | . | S | Bend | trans | 98 | 147.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | A10 Y11 A12 | G8-A10 VanDerWaalsContact C-N 3.34Å; G8-A10 PolarHBondContact O-N 3.26Å; G8-Y11 PolarHBondContact O-N 3.08Å; G8-A12 PolarHBondContact O-N 3.02Å |
| 9 | L | 96.8 | Very high | 89.3 | Confident | 65 Ų | 65 | 73.9 Ų | 73.9 | 34% | 0.34 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.3 | -34.4 | -174.3 | -175.9 | 62.5 | 0 | 0 | 0 | 113.6 | Y11 A12 K13 E394 L398 | L9-Y11 VanDerWaalsContact C-N 3.35Å; L9-Y11 PolarHBondContact O-N 3.34Å; L9-A12 WeakPolarHBondContact O-CB 3.34Å; L9-A12 PolarHBondContact O-N 3.03Å; L9-K13 HydrophobicContact CG-CD 4.5Å; L9-K13 WeakPolarHBondContact O-CG 3.49Å; L9-K13 PolarHBondContact O-N 3Å; L9-E394 HydrophobicContact CD1-CB 4.45Å; L9-E394 HydrophobicContact CD1-CG 3.86Å; L9-L398 HydrophobicContact CD1-CD2 4.41Å; L9-L398 HydrophobicContact CD1-CG 4.49Å |
| 10 | A | 97.3 | Very high | 89.6 | Confident | 82 Ų | 82 | 77.4 Ų | 77.4 | 68% | 0.678 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.1 | -40.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G8 K13 E14 | G8-A10 VanDerWaalsContact C-N 3.34Å; G8-A10 PolarHBondContact O-N 3.26Å; A10-K13 PolarHBondContact O-N 3.37Å; A10-E14 PolarHBondContact O-N 2.87Å |
| 11 | Y | 97.4 | Very high | 90 | Very high | 27 Ų | 27 | 74 Ų | 74 | 11% | 0.106 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -69.9 | -39.1 | 176.1 | 179.8 | -105.5 | 0 | 0 | 0 | 111.7 | T4 F5 Q6 G8 L9 K13 E14 L15 Y324 | T4-Y11 PolarHBondContact O-OH 3.21Å; F5-Y11 HydrophobicContact CB-CE1 4.33Å; F5-Y11 HydrophobicContact CD1-CE1 4.16Å; Q6-Y11 HydrophobicContact CB-CD1 3.85Å; Q6-Y11 HydrophobicContact CB-CD2 4.03Å; Q6-Y11 HydrophobicContact CB-CE1 4.12Å; Q6-Y11 HydrophobicContact CB-CE2 4.3Å; Q6-Y11 HydrophobicContact CB-CG 3.8Å; Q6-Y11 HydrophobicContact CG-CD2 4.29Å; Q6-Y11 HydrophobicContact CG-CE2 4.22Å; Q6-Y11 WeakPolarHBondContact O-CD1 3.28Å; G8-Y11 PolarHBondContact O-N 3.08Å; L9-Y11 VanDerWaalsContact C-N 3.35Å; L9-Y11 PolarHBondContact O-N 3.34Å; Y11-K13 VanDerWaalsContact C-N 3.32Å; Y11-K13 PolarHBondContact O-N 2.67Å; Y11-E14 WeakPolarHBondContact O-CB 3.49Å; Y11-E14 PolarHBondContact O-N 2.96Å; Y11-E14 VanDerWaalsContact O-N 3.15Å; Y11-L15 HydrophobicContact CD1-CD1 4Å; Y11-L15 HydrophobicContact CD1-CG 4.34Å; Y11-L15 HydrophobicContact CE1-CD1 3.49Å; Y11-L15 VanDerWaalsContact CE1-CD1 3.49Å; Y11-L15 HydrophobicContact CE1-CD2 4.36Å; Y11-L15 HydrophobicContact CE1-CG 3.91Å; Y11-L15 PolarHBondContact O-N 3.02Å; Y11-Y324 HydrophobicContact CD1-CE2 4.12Å; Y11-Y324 HydrophobicContact CE1-CE2 4.06Å |
| 12 | A | 97.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -57.7 | -45.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G8 L9 E14 L15 D16 Y324 Y393 N397 | G8-A12 PolarHBondContact O-N 3.02Å; L9-A12 WeakPolarHBondContact O-CB 3.34Å; L9-A12 PolarHBondContact O-N 3.03Å; A12-E14 VanDerWaalsContact C-N 3.34Å; A12-E14 PolarHBondContact O-N 3.22Å; A12-L15 WeakPolarHBondContact O-CB 3.45Å; A12-L15 PolarHBondContact O-N 3.43Å; A12-D16 PolarHBondContact O-N 3.03Å; A12-Y324 HydrophobicContact CB-CE1 4.3Å; A12-Y393 WeakPolarHBondContact O-CB 3.28Å; A12-N397 HydrophobicContact CB-CB 3.75Å |
| 13 | K | 97.6 | Very high | 94.2 | Very high | 92 Ų | 92 | 67.9 Ų | 67.9 | 40% | 0.4 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.5 | -38 | 174.2 | -72.5 | -179.6 | 175.8 | -170 | 0 | 112.9 | L9 A10 Y11 D16 T17 E394 | L9-K13 HydrophobicContact CG-CD 4.5Å; L9-K13 WeakPolarHBondContact O-CG 3.49Å; L9-K13 PolarHBondContact O-N 3Å; A10-K13 PolarHBondContact O-N 3.37Å; Y11-K13 VanDerWaalsContact C-N 3.32Å; Y11-K13 PolarHBondContact O-N 2.67Å; K13-D16 PolarHBondContact O-N 3.19Å; K13-T17 WeakPolarHBondContact O-CG2 3.43Å; K13-T17 PolarHBondContact O-N 3.48Å; K13-E394 WeakPolarHBondContact CE-OE1 3.37Å; K13-E394 VanDerWaalsContact CE-OE2 3.24Å; K13-E394 WeakPolarHBondContact CE-OE2 3.18Å; K13-E394 HydrophobicContact CG-CB 4.4Å; K13-E394 IonicContact NZ-OE1 2.88Å; K13-E394 PolarHBondContact NZ-OE1 2.86Å; K13-E394 IonicContact NZ-OE2 2.99Å |
| 14 | E | 97.2 | Very high | 95.7 | Very high | 90 Ų | 90 | 66.3 Ų | 66.3 | 42% | 0.421 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 174.2 | -170.4 | -171 | 159 | 0 | 0 | 111.5 | A10 Y11 A12 D16 T17 K18 | A10-E14 PolarHBondContact O-N 2.87Å; Y11-E14 WeakPolarHBondContact O-CB 3.49Å; Y11-E14 PolarHBondContact O-N 2.96Å; Y11-E14 VanDerWaalsContact O-N 3.15Å; A12-E14 VanDerWaalsContact C-N 3.34Å; A12-E14 PolarHBondContact O-N 3.22Å; E14-D16 VanDerWaalsContact C-N 3.33Å; E14-D16 PolarHBondContact O-N 3.43Å; E14-T17 PolarHBondContact O-N 3.49Å; E14-T17 PolarHBondContact O-OG1 3.08Å; E14-K18 PolarHBondContact O-N 3.5Å; E14-K18 WeakPolarHBondContact OE1-CE 3.42Å; E14-K18 IonicContact OE1-NZ 2.61Å; E14-K18 PolarHBondContact OE1-NZ 2.64Å |
| 15 | L | 97 | Very high | 96.2 | Very high | 17 Ų | 17 | 63 Ų | 63 | 9% | 0.089 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 175 | -72.7 | 176.9 | 0 | 0 | 0 | 112 | F5 Y11 A12 T17 K18 D19 Y324 Y393 | F5-L15 HydrophobicContact CD1-CD1 4.18Å; F5-L15 HydrophobicContact CE1-CD1 4.28Å; Y11-L15 HydrophobicContact CD1-CD1 4Å; Y11-L15 HydrophobicContact CD1-CG 4.34Å; Y11-L15 HydrophobicContact CE1-CD1 3.49Å; Y11-L15 VanDerWaalsContact CE1-CD1 3.49Å; Y11-L15 HydrophobicContact CE1-CD2 4.36Å; Y11-L15 HydrophobicContact CE1-CG 3.91Å; Y11-L15 PolarHBondContact O-N 3.02Å; A12-L15 WeakPolarHBondContact O-CB 3.45Å; A12-L15 PolarHBondContact O-N 3.43Å; L15-T17 VanDerWaalsContact C-N 3.29Å; L15-T17 PolarHBondContact O-N 3.26Å; L15-K18 CarbonylContact O-C 3.43Å; L15-K18 WeakPolarHBondContact O-CA 3.25Å; L15-K18 PolarHBondContact O-N 3.04Å; L15-D19 PolarHBondContact O-N 3.46Å; L15-Y324 HydrophobicContact CD1-CD1 4.48Å; L15-Y324 HydrophobicContact CD1-CD2 4.05Å; L15-Y324 HydrophobicContact CD1-CE1 4.46Å; L15-Y324 HydrophobicContact CD1-CE2 4.05Å; L15-Y324 HydrophobicContact CD1-CG 4.27Å; L15-Y393 HydrophobicContact CB-CD1 3.83Å; L15-Y393 HydrophobicContact CB-CD2 3.89Å; L15-Y393 HydrophobicContact CB-CE1 4.31Å; L15-Y393 HydrophobicContact CB-CE2 4.38Å; L15-Y393 HydrophobicContact CB-CG 3.59Å; L15-Y393 HydrophobicContact CD1-CD1 3.54Å; L15-Y393 HydrophobicContact CD1-CE1 3.94Å; L15-Y393 HydrophobicContact CD1-CG 4.14Å; L15-Y393 HydrophobicContact CG-CD1 4.32Å |
| 16 | D | 97.5 | Very high | 96.2 | Very high | 10 Ų | 10 | 68.1 Ų | 68.1 | 5% | 0.053 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.4 | -39.7 | 174.3 | -80.8 | -42.5 | 0 | 0 | 0 | 112.4 | A12 K13 E14 K18 D19 H22 S392 Y393 E394 | A12-D16 PolarHBondContact O-N 3.03Å; K13-D16 PolarHBondContact O-N 3.19Å; E14-D16 VanDerWaalsContact C-N 3.33Å; E14-D16 PolarHBondContact O-N 3.43Å; D16-K18 PolarHBondContact O-N 3.13Å; D16-D19 PolarHBondContact O-N 2.67Å; D16-H22 IonicContact OD1-CE1 2.63Å; D16-H22 IonicContact OD1-ND1 2.66Å; D16-H22 PolarHBondContact OD1-ND1 3.43Å; D16-H22 VanDerWaalsContact OD1-ND1 3.08Å; D16-S392 WeakPolarHBondContact OD1-CA 3.44Å; D16-S392 VanDerWaalsContact OD1-CB 3.27Å; D16-S392 WeakPolarHBondContact OD1-CB 3.22Å; D16-Y393 WeakPolarHBondContact OD1-CD2 3.37Å; D16-Y393 PolarHBondContact OD1-N 2.93Å; D16-Y393 PolarHBondContact OD2-N 3.35Å; D16-E394 WeakPolarHBondContact OD2-CB 2.99Å; D16-E394 PolarHBondContact OD2-N 3.28Å |
| 17 | T | 96.7 | Very high | 96.2 | Very high | 117 Ų | 117 | 65.3 Ų | 65.3 | 72% | 0.718 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -66.5 | -19.6 | 175.7 | 68 | 0 | 0 | 0 | 0 | 114 | K13 E14 L15 | K13-T17 WeakPolarHBondContact O-CG2 3.43Å; K13-T17 PolarHBondContact O-N 3.48Å; E14-T17 PolarHBondContact O-N 3.49Å; E14-T17 PolarHBondContact O-OG1 3.08Å; L15-T17 VanDerWaalsContact C-N 3.29Å; L15-T17 PolarHBondContact O-N 3.26Å |
| 18 | K | 95.6 | Very high | 96.4 | Very high | 128 Ų | 128 | 62.7 Ų | 62.7 | 56% | 0.557 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -98.5 | -8.8 | 178.7 | -64.3 | 175.1 | -173.5 | 170.3 | 0 | 112.7 | E14 L15 D16 E20 | E14-K18 PolarHBondContact O-N 3.5Å; E14-K18 WeakPolarHBondContact OE1-CE 3.42Å; E14-K18 IonicContact OE1-NZ 2.61Å; E14-K18 PolarHBondContact OE1-NZ 2.64Å; L15-K18 CarbonylContact O-C 3.43Å; L15-K18 WeakPolarHBondContact O-CA 3.25Å; L15-K18 PolarHBondContact O-N 3.04Å; D16-K18 PolarHBondContact O-N 3.13Å; K18-E20 PolarHBondContact O-N 3.07Å |
| 19 | D | 96.3 | Very high | 96.5 | Very high | 16 Ų | 16 | 65.8 Ų | 65.8 | 9% | 0.086 | 33% | 0.325 | C | S | . | . | trans | -80.2 | 107.2 | -179.6 | 176.8 | 7.5 | 0 | 0 | 0 | 110.7 | L15 D16 L21 H22 N317 K321 Y393 | L15-D19 PolarHBondContact O-N 3.46Å; D16-D19 PolarHBondContact O-N 2.67Å; D19-L21 PolarHBondContact O-N 3.23Å; D19-L21 VanDerWaalsContact O-N 3.08Å; D19-L21 PolarHBondContact OD1-N 2.96Å; D19-H22 HydrophobicContact CB-CB 3.94Å; D19-H22 VanDerWaalsContact O-CB 3.28Å; D19-H22 WeakPolarHBondContact O-CB 3.45Å; D19-H22 PolarHBondContact O-N 2.66Å; D19-H22 PolarHBondContact OD1-N 3.35Å; D19-N317 VanDerWaalsContact CG-ND2 3.28Å; D19-N317 PolarHBondContact OD1-ND2 3.1Å; D19-N317 PolarHBondContact OD2-ND2 3.29Å; D19-K321 WeakPolarHBondContact OD2-CE 3.49Å; D19-K321 IonicContact OD2-NZ 3.24Å; D19-K321 PolarHBondContact OD2-NZ 3.45Å; D19-Y393 HydrophobicContact CB-CD2 4.37Å; D19-Y393 HydrophobicContact CB-CE2 3.88Å | ||
| 20 | E | 95.4 | Very high | 96.3 | Very high | 143 Ų | 143 | 64.1 Ų | 64.1 | 67% | 0.668 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -23.3 | 177.9 | -61.2 | -175.4 | 179.8 | 0 | 0 | 113.9 | K18 Q23 | K18-E20 PolarHBondContact O-N 3.07Å; E20-Q23 PolarHBondContact O-NE2 3.5Å |
| 21 | L | 96.7 | Very high | 96 | Very high | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -7 | -179.8 | -54.8 | -168.4 | 0 | 0 | 0 | 113.3 | D19 Q23 Y24 L309 N317 A388 | D19-L21 PolarHBondContact O-N 3.23Å; D19-L21 VanDerWaalsContact O-N 3.08Å; D19-L21 PolarHBondContact OD1-N 2.96Å; L21-Q23 PolarHBondContact O-N 2.9Å; L21-Q23 VanDerWaalsContact O-N 3.16Å; L21-Y24 HydrophobicContact CB-CD2 4.44Å; L21-Y24 HydrophobicContact CD2-CD2 4.35Å; L21-Y24 HydrophobicContact CD2-CE2 4.23Å; L21-Y24 WeakPolarHBondContact O-CB 3.48Å; L21-Y24 PolarHBondContact O-N 3.16Å; L21-L309 HydrophobicContact CD2-CD1 4.12Å; L21-L309 HydrophobicContact CD2-CD2 3.52Å; L21-L309 HydrophobicContact CD2-CG 4.43Å; L21-N317 HydrophobicContact CD1-CB 3.63Å; L21-N317 HydrophobicContact CG-CB 4.33Å; L21-A388 HydrophobicContact CD1-CB 4.3Å |
| 22 | H | 96 | Very high | 95.6 | Very high | 70 Ų | 70 | 70.7 Ų | 70.7 | 32% | 0.324 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -55.2 | -38.4 | -176.1 | -176.2 | 86.4 | 0 | 0 | 0 | 112.7 | D16 D19 Y24 R25 | D16-H22 IonicContact OD1-CE1 2.63Å; D16-H22 IonicContact OD1-ND1 2.66Å; D16-H22 PolarHBondContact OD1-ND1 3.43Å; D16-H22 VanDerWaalsContact OD1-ND1 3.08Å; D19-H22 HydrophobicContact CB-CB 3.94Å; D19-H22 VanDerWaalsContact O-CB 3.28Å; D19-H22 WeakPolarHBondContact O-CB 3.45Å; D19-H22 PolarHBondContact O-N 2.66Å; D19-H22 PolarHBondContact OD1-N 3.35Å; H22-Y24 PolarHBondContact O-N 3.15Å; H22-R25 VanDerWaalsContact O-CB 3.25Å; H22-R25 WeakPolarHBondContact O-CB 3.35Å; H22-R25 PolarHBondContact O-N 2.9Å; H22-R25 VanDerWaalsContact O-N 3.09Å |
| 23 | Q | 94.7 | Very high | 95.2 | Very high | 135 Ų | 135 | 74.4 Ų | 74.4 | 63% | 0.631 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -59.2 | -27.1 | 178.9 | 67.5 | -170.7 | -37.7 | 0 | 0 | 114.3 | E20 L21 R25 E26 | E20-Q23 PolarHBondContact O-NE2 3.5Å; L21-Q23 PolarHBondContact O-N 2.9Å; L21-Q23 VanDerWaalsContact O-N 3.16Å; Q23-R25 PolarHBondContact O-N 3.2Å; Q23-E26 PolarHBondContact O-N 2.9Å |
| 24 | Y | 95.8 | Very high | 95 | Very high | 27 Ų | 27 | 72.5 Ų | 72.5 | 11% | 0.106 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -71.8 | -14.7 | 179.9 | -71.2 | -89.3 | 0 | 0 | 0 | 112.2 | L21 H22 E26 D27 F28 I305 Q308 L309 L389 | L21-Y24 HydrophobicContact CB-CD2 4.44Å; L21-Y24 HydrophobicContact CD2-CD2 4.35Å; L21-Y24 HydrophobicContact CD2-CE2 4.23Å; L21-Y24 WeakPolarHBondContact O-CB 3.48Å; L21-Y24 PolarHBondContact O-N 3.16Å; H22-Y24 PolarHBondContact O-N 3.15Å; Y24-E26 PolarHBondContact O-N 2.95Å; Y24-D27 WeakPolarHBondContact CD1-OD2 3.43Å; Y24-D27 VanDerWaalsContact O-CB 3.3Å; Y24-D27 WeakPolarHBondContact O-CB 3.4Å; Y24-D27 PolarHBondContact O-N 3.21Å; Y24-F28 WeakPolarHBondContact O-CD2 3.48Å; Y24-I305 HydrophobicContact CD1-CG2 3.98Å; Y24-I305 HydrophobicContact CE1-CG2 4.2Å; Y24-Q308 PolarHBondContact OH-NE2 2.65Å; Y24-Q308 VanDerWaalsContact OH-NE2 3.1Å; Y24-L309 HydrophobicContact CD1-CD1 4.41Å; Y24-L309 HydrophobicContact CD2-CD1 4.3Å; Y24-L309 HydrophobicContact CD2-CD2 4.49Å; Y24-L309 HydrophobicContact CE1-CD1 4.21Å; Y24-L309 HydrophobicContact CE1-CD2 4.44Å; Y24-L309 HydrophobicContact CE1-CG 4.37Å; Y24-L309 HydrophobicContact CE2-CD1 4.14Å; Y24-L309 HydrophobicContact CE2-CD2 3.63Å; Y24-L309 HydrophobicContact CE2-CG 4.3Å; Y24-L309 HydrophobicContact CG-CD1 4.43Å; Y24-L309 WeakPolarHBondContact OH-CD2 3.26Å; Y24-L389 CarbonylContact C-O 3.55Å; Y24-L389 VanDerWaalsContact C-O 3.26Å |
| 25 | R | 95.7 | Very high | 95 | Very high | 56 Ų | 56 | 69.1 Ų | 69.1 | 21% | 0.211 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -55.4 | -39.2 | 174.8 | 178.2 | 177.7 | 165.5 | 80.5 | -3.1 | 111.4 | H22 Q23 D27 F28 I30 L389 Y390 E395 | H22-R25 VanDerWaalsContact O-CB 3.25Å; H22-R25 WeakPolarHBondContact O-CB 3.35Å; H22-R25 PolarHBondContact O-N 2.9Å; H22-R25 VanDerWaalsContact O-N 3.09Å; Q23-R25 PolarHBondContact O-N 3.2Å; R25-D27 PolarHBondContact O-N 3.37Å; R25-D27 VanDerWaalsContact O-N 3.16Å; R25-F28 PolarHBondContact O-N 3.24Å; R25-F28 VanDerWaalsContact O-N 3.11Å; R25-I30 HydrophobicContact CG-CD1 4.41Å; R25-L389 WeakPolarHBondContact CA-O 3.07Å; R25-L389 PolarHBondContact N-O 3.07Å; R25-Y390 PolarHBondContact NH1-O 3.05Å; R25-E395 IonicContact CZ-OE1 3.9Å; R25-E395 IonicContact CZ-OE2 3.53Å; R25-E395 VanDerWaalsContact NH1-CD 3.32Å; R25-E395 IonicContact NH1-OE1 2.74Å; R25-E395 PolarHBondContact NH1-OE1 3.43Å; R25-E395 IonicContact NH1-OE2 2.98Å; R25-E395 PolarHBondContact NH1-OE2 3.29Å; R25-E395 VanDerWaalsContact NH1-OE2 3.09Å; R25-E395 IonicContact NH2-OE1 3.14Å; R25-E395 PolarHBondContact NH2-OE1 3.18Å |
| 26 | E | 95 | Very high | 95 | Very high | 131 Ų | 131 | 69.5 Ų | 69.5 | 61% | 0.612 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -65.4 | -14.7 | 177.9 | -66.6 | -61.4 | 139.8 | 0 | 0 | 112.9 | Q23 Y24 F28 K47 | Q23-E26 PolarHBondContact O-N 2.9Å; Y24-E26 PolarHBondContact O-N 2.95Å; E26-F28 VanDerWaalsContact C-N 3.28Å; E26-K47 WeakPolarHBondContact O-CE 3.23Å; E26-K47 PolarHBondContact O-NZ 3.4Å |
| 27 | D | 96.1 | Very high | 95.1 | Very high | 63 Ų | 63 | 69 Ų | 69 | 34% | 0.337 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -82.7 | -3.6 | 175.8 | -64.7 | -34.1 | 0 | 0 | 0 | 113.1 | Y24 R25 S46 K47 | Y24-D27 WeakPolarHBondContact CD1-OD2 3.43Å; Y24-D27 VanDerWaalsContact O-CB 3.3Å; Y24-D27 WeakPolarHBondContact O-CB 3.4Å; Y24-D27 PolarHBondContact O-N 3.21Å; R25-D27 PolarHBondContact O-N 3.37Å; R25-D27 VanDerWaalsContact O-N 3.16Å; D27-S46 CarbonylContact O-C 3.3Å; D27-S46 VanDerWaalsContact O-CA 3.26Å; D27-S46 WeakPolarHBondContact O-CA 3.38Å; D27-K47 PolarHBondContact O-N 3.17Å |
| 28 | F | 97.4 | Very high | 95 | Very high | 10 Ų | 10 | 64.4 Ų | 64.4 | 4% | 0.044 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -113.1 | 148.2 | -179 | -66 | -93.2 | 0 | 0 | 0 | 112.3 | Y24 R25 E26 I30 M44 A45 N237 I305 L389 Y390 | Y24-F28 WeakPolarHBondContact O-CD2 3.48Å; R25-F28 PolarHBondContact O-N 3.24Å; R25-F28 VanDerWaalsContact O-N 3.11Å; E26-F28 VanDerWaalsContact C-N 3.28Å; F28-I30 HydrophobicContact CB-CD1 4.46Å; F28-I30 HydrophobicContact CB-CG1 4.41Å; F28-I30 PolarHBondContact O-N 2.83Å; F28-M44 HydrophobicContact CB-CB 4.31Å; F28-M44 HydrophobicContact CD1-CB 4Å; F28-M44 WeakPolarHBondContact CD1-O 3.37Å; F28-A45 WeakPolarHBondContact CA-O 3.33Å; F28-N237 HydrophobicContact CE1-CB 4.26Å; F28-N237 WeakPolarHBondContact CE1-ND2 3.29Å; F28-I305 HydrophobicContact CE2-CD1 4.48Å; F28-I305 HydrophobicContact CZ-CD1 4.14Å; F28-L389 HydrophobicContact CE2-CB 3.71Å; F28-L389 HydrophobicContact CE2-CD1 4.25Å; F28-L389 HydrophobicContact CZ-CB 3.96Å; F28-L389 HydrophobicContact CZ-CD1 3.75Å; F28-Y390 HydrophobicContact CB-CD1 4.43Å; F28-Y390 AromaticContact CD1-CD1 3.69Å; F28-Y390 HydrophobicContact CD1-CD1 3.69Å; F28-Y390 HydrophobicContact CD1-CE1 4.09Å; F28-Y390 AromaticContact CD2-CD1 3.89Å; F28-Y390 HydrophobicContact CD2-CD1 3.89Å; F28-Y390 HydrophobicContact CD2-CG 4.35Å; F28-Y390 AromaticContact CE1-CD1 3.84Å; F28-Y390 HydrophobicContact CE1-CD1 3.84Å; F28-Y390 HydrophobicContact CE1-CE1 4.1Å; F28-Y390 HydrophobicContact CE2-CD1 4.06Å; F28-Y390 AromaticContact CG-CD1 3.72Å; F28-Y390 HydrophobicContact CG-CD1 3.72Å; F28-Y390 HydrophobicContact CG-CG 4.23Å; F28-Y390 HydrophobicContact CZ-CD1 4.03Å |
| 29 | F | 96.1 | Very high | 95.1 | Very high | 96 Ų | 96 | 58.3 Ų | 58.3 | 42% | 0.421 | 30% | 0.303 | S | S | . | . | trans | -85.2 | 98.6 | 175.8 | -68.2 | -82.2 | 0 | 0 | 0 | 110.2 | M44 A45 K47 V50 | F29-M44 WeakPolarHBondContact O-CE 3.47Å; F29-A45 HydrophobicContact CD2-CB 4.12Å; F29-A45 WeakPolarHBondContact CD2-O 3.33Å; F29-A45 PolarHBondContact N-O 3.41Å; F29-K47 HydrophobicContact CE1-CG 4.47Å; F29-K47 HydrophobicContact CE2-CB 4.4Å; F29-K47 HydrophobicContact CE2-CG 3.88Å; F29-K47 HydrophobicContact CZ-CG 3.84Å; F29-V50 HydrophobicContact CD2-CG2 4.2Å; F29-V50 HydrophobicContact CE2-CB 4.08Å; F29-V50 HydrophobicContact CE2-CG2 3.53Å; F29-V50 HydrophobicContact CZ-CG2 4.31Å | ||
| 30 | I | 92.5 | Very high | 95.1 | Very high | 30 Ų | 30 | 57.6 Ų | 57.6 | 15% | 0.154 | 30% | 0.299 | C | S | . | . | trans | -115.5 | 135.8 | 177.7 | -61.5 | 175.2 | 0 | 0 | 0 | 108.9 | R25 F28 M44 Y390 | R25-I30 HydrophobicContact CG-CD1 4.41Å; F28-I30 HydrophobicContact CB-CD1 4.46Å; F28-I30 HydrophobicContact CB-CG1 4.41Å; F28-I30 PolarHBondContact O-N 2.83Å; I30-M44 HydrophobicContact CG1-CE 4.17Å; I30-M44 HydrophobicContact CG1-CG 4.36Å; I30-Y390 HydrophobicContact CD1-CD2 4.12Å; I30-Y390 HydrophobicContact CD1-CG 4.27Å | ||
| 31 | Q | 92 | Very high | 95.1 | Very high | 122 Ų | 122 | 52.4 Ų | 52.4 | 57% | 0.57 | 28% | 0.278 | S | S | * | . | trans | -71.3 | 141.7 | -176.2 | -63.9 | -59.1 | -32.5 | 0 | 0 | 111.4 | G33 E34 | Q31-G33 PolarHBondContact O-N 2.85Å; Q31-E34 HydrophobicContact CB-CB 3.92Å; Q31-E34 WeakPolarHBondContact O-CB 3.39Å; Q31-E34 PolarHBondContact O-N 3.49Å; Q31-E34 VanDerWaalsContact O-N 3.08Å | ||
| 32 | P | 88.9 | Confident | 95.1 | Very high | 125 Ų | 125 | 54.5 Ų | 54.5 | 81% | 0.812 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 126.5 | 175 | -24.2 | 33.9 | 0 | 0 | 0 | 111.8 | E34 | P32-E34 VanDerWaalsContact C-N 3.29Å; P32-E34 PolarHBondContact O-N 2.68Å |
| 33 | G | 89.5 | Confident | 95.1 | Very high | 78 Ų | 78 | 51.4 Ų | 51.4 | 80% | 0.804 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | -0.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q31 | Q31-G33 PolarHBondContact O-N 2.85Š|
| 34 | E | 93 | Very high | 95.2 | Very high | 53 Ų | 53 | 46.1 Ų | 46.1 | 25% | 0.248 | 25% | 0.252 | C | S | . | . | trans | -94.4 | 134.6 | 175.6 | -172.2 | 179.8 | 83.8 | 0 | 0 | 111.1 | Q31 P32 G371 V373 | Q31-E34 HydrophobicContact CB-CB 3.92Å; Q31-E34 WeakPolarHBondContact O-CB 3.39Å; Q31-E34 PolarHBondContact O-N 3.49Å; Q31-E34 VanDerWaalsContact O-N 3.08Å; P32-E34 VanDerWaalsContact C-N 3.29Å; P32-E34 PolarHBondContact O-N 2.68Å; E34-G371 CarbonylContact C-O 3.52Å; E34-G371 WeakPolarHBondContact CA-O 3.47Å; E34-V373 HydrophobicContact CG-CG2 3.75Å | ||
| 35 | I | 97.6 | Very high | 95.2 | Very high | 19 Ų | 19 | 47 Ų | 47 | 10% | 0.097 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 105.7 | 168.8 | -54.6 | 177.6 | 0 | 0 | 0 | 108.3 | M37 G371 V372 V373 E395 L398 V399 | I35-M37 HydrophobicContact CG2-CG 4.2Å; I35-M37 HydrophobicContact CG2-SD 4.36Å; I35-G371 PolarHBondContact N-O 3.08Å; I35-V372 HydrophobicContact CB-CG2 4.32Å; I35-V372 HydrophobicContact CD1-CG2 4.38Å; I35-V372 WeakPolarHBondContact O-CA 3.45Å; I35-V373 PolarHBondContact O-N 3.37Å; I35-E395 HydrophobicContact CD1-CG 4.48Å; I35-E395 HydrophobicContact CG1-CG 4.18Å; I35-E395 HydrophobicContact CG2-CB 3.7Å; I35-E395 HydrophobicContact CG2-CG 3.94Å; I35-L398 HydrophobicContact CD1-CB 3.73Å; I35-L398 HydrophobicContact CD1-CD1 4.11Å; I35-V399 HydrophobicContact CB-CG2 4.43Å; I35-V399 HydrophobicContact CD1-CG2 4.45Å; I35-V399 HydrophobicContact CG2-CG2 3.63Å |
| 36 | Y | 97.4 | Very high | 95.3 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 10% | 0.098 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 111.1 | -173.4 | -162 | -92.3 | 0 | 0 | 0 | 112.4 | D38 L42 M44 V373 Y390 | Y36-D38 VanDerWaalsContact CE1-C 3.46Å; Y36-D38 HydrophobicContact CE1-CB 4.11Å; Y36-L42 VanDerWaalsContact CE1-O 3.29Å; Y36-L42 WeakPolarHBondContact CE1-O 3.42Å; Y36-L42 PolarHBondContact OH-O 3.35Å; Y36-M44 HydrophobicContact CD1-CG 3.72Å; Y36-M44 HydrophobicContact CD1-SD 3.43Å; Y36-M44 WeakPolarHBondContact CD1-SD 3.42Å; Y36-M44 HydrophobicContact CD2-CE 4.41Å; Y36-M44 HydrophobicContact CD2-SD 3.58Å; Y36-M44 VanDerWaalsContact CD2-SD 3.58Å; Y36-M44 HydrophobicContact CE1-CG 4.04Å; Y36-M44 HydrophobicContact CE1-SD 3.47Å; Y36-M44 WeakPolarHBondContact CE1-SD 3.24Å; Y36-M44 HydrophobicContact CE2-SD 3.65Å; Y36-M44 HydrophobicContact CG-CG 4.11Å; Y36-M44 HydrophobicContact CG-SD 3.47Å; Y36-M44 VanDerWaalsContact CZ-SD 3.6Å; Y36-V373 HydrophobicContact CD2-CB 3.89Å; Y36-V373 HydrophobicContact CD2-CG1 4.04Å; Y36-V373 HydrophobicContact CD2-CG2 4.16Å; Y36-V373 HydrophobicContact CE2-CB 4.21Å; Y36-V373 HydrophobicContact CE2-CG1 3.82Å; Y36-Y390 HydrophobicContact CD1-CE2 4.2Å |
| 37 | M | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -116.7 | 16.7 | -177.4 | -60.5 | -68.2 | -75.9 | 0 | 0 | 112.8 | I35 L325 V372 V373 L384 A385 P386 T391 V399 | I35-M37 HydrophobicContact CG2-CG 4.2Å; I35-M37 HydrophobicContact CG2-SD 4.36Å; M37-L325 HydrophobicContact CE-CD2 4.29Å; M37-V372 HydrophobicContact CG-CG1 4.3Å; M37-V373 CarbonylContact C-O 3.6Å; M37-V373 WeakPolarHBondContact CA-O 3.49Å; M37-V373 WeakPolarHBondContact CB-O 3.23Å; M37-V373 PolarHBondContact N-O 3.21Å; M37-L384 HydrophobicContact CB-CD2 4.12Å; M37-L384 HydrophobicContact CE-CB 4.05Å; M37-L384 HydrophobicContact CG-CD2 4.5Å; M37-A385 WeakPolarHBondContact O-CB 3.34Å; M37-A385 PolarHBondContact O-N 3.33Å; M37-P386 HydrophobicContact CE-CB 4.4Å; M37-P386 HydrophobicContact CE-CG 3.82Å; M37-T391 HydrophobicContact SD-CG2 3.73Å; M37-V399 HydrophobicContact CE-CG2 4.48Å; M37-V399 HydrophobicContact CG-CG2 3.95Å; M37-V399 HydrophobicContact SD-CG2 4.24Å | ||
| 38 | D | 96.6 | Very high | 95.4 | Very high | 20 Ų | 20 | 41 Ų | 41 | 11% | 0.107 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -115.4 | 25.2 | -175.3 | -168.3 | 21 | 0 | 0 | 0 | 113.8 | Y36 N40 S41 L42 V373 D375 | Y36-D38 VanDerWaalsContact CE1-C 3.46Å; Y36-D38 HydrophobicContact CE1-CB 4.11Å; D38-N40 PolarHBondContact O-N 3.03Å; D38-N40 VanDerWaalsContact O-N 3.09Å; D38-N40 PolarHBondContact OD1-OD1 2.81Å; D38-S41 VanDerWaalsContact CG-CB 3.49Å; D38-S41 PolarHBondContact O-N 3.23Å; D38-S41 WeakPolarHBondContact OD1-CB 3.44Å; D38-L42 PolarHBondContact O-N 2.8Å; D38-V373 HydrophobicContact CB-CG1 4.19Å; D38-V373 PolarHBondContact N-O 3.23Å; D38-D375 WeakPolarHBondContact OD1-CB 3.35Å |
| 39 | G | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S41 L42 K234 Y235 Y390 | G39-S41 VanDerWaalsContact C-N 3.29Å; G39-L42 WeakPolarHBondContact CA-O 3.34Å; G39-K234 CarbonylContact O-C 3.23Å; G39-Y235 PolarHBondContact O-N 3.02Å; G39-Y390 VanDerWaalsContact CA-OH 3.3Å; G39-Y390 WeakPolarHBondContact CA-OH 3.44Å |
| 40 | N | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -14.2 | 172.4 | 64.4 | -42.1 | 0 | 0 | 0 | 113 | D38 H211 K234 Y235 R383 A385 | D38-N40 PolarHBondContact O-N 3.03Å; D38-N40 VanDerWaalsContact O-N 3.09Å; D38-N40 PolarHBondContact OD1-OD1 2.81Å; N40-H211 PolarHBondContact O-CE1 3.41Å; N40-H211 PolarHBondContact O-ND1 2.94Å; N40-K234 VanDerWaalsContact O-CD 3.27Å; N40-K234 WeakPolarHBondContact O-CD 3.31Å; N40-K234 WeakPolarHBondContact O-CG 3.48Å; N40-Y235 HydrophobicContact CB-CE1 4.01Å; N40-Y235 HydrophobicContact CB-CE2 3.77Å; N40-Y235 WeakPolarHBondContact CB-OH 3.45Å; N40-R383 VanDerWaalsContact ND2-CZ 3.29Å; N40-R383 PolarHBondContact ND2-NH1 3.45Å; N40-A385 HydrophobicContact CB-CB 3.78Å; N40-A385 VanDerWaalsContact OD1-CB 3.31Å; N40-A385 WeakPolarHBondContact OD1-CB 3.3Å |
| 41 | S | 95.2 | Very high | 95.7 | Very high | 34 Ų | 34 | 39.9 Ų | 39.9 | 24% | 0.238 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -47.7 | 173.8 | -166 | 0 | 0 | 0 | 0 | 111.6 | D38 G39 Y233 K234 | D38-S41 VanDerWaalsContact CG-CB 3.49Å; D38-S41 PolarHBondContact O-N 3.23Å; D38-S41 WeakPolarHBondContact OD1-CB 3.44Å; G39-S41 VanDerWaalsContact C-N 3.29Å; S41-Y233 WeakPolarHBondContact O-CD2 3.19Å; S41-Y233 WeakPolarHBondContact O-CE2 3.32Å; S41-K234 VanDerWaalsContact O-CG 3.3Å; S41-K234 WeakPolarHBondContact O-CG 3.42Å |
| 42 | L | 96.3 | Very high | 95.9 | Very high | 50 Ų | 50 | 34.7 Ų | 34.7 | 26% | 0.262 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -141.8 | 114.4 | 174 | -178.9 | 64.6 | 0 | 0 | 0 | 109.8 | Y36 D38 G39 Y233 L240 | Y36-L42 VanDerWaalsContact CE1-O 3.29Å; Y36-L42 WeakPolarHBondContact CE1-O 3.42Å; Y36-L42 PolarHBondContact OH-O 3.35Å; D38-L42 PolarHBondContact O-N 2.8Å; G39-L42 WeakPolarHBondContact CA-O 3.34Å; L42-Y233 WeakPolarHBondContact CA-O 3.17Å; L42-Y233 HydrophobicContact CD1-CD2 4.42Å; L42-L240 HydrophobicContact CD1-CD2 4.46Å; L42-L240 HydrophobicContact CD1-CG 4.16Å; L42-L240 HydrophobicContact CD2-CD2 3.77Å; L42-L240 HydrophobicContact CD2-CG 4.09Å |
| 43 | G | 96.8 | Very high | 96.3 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 6% | 0.062 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -68.6 | 146 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y233 K234 N237 | G43-Y233 PolarHBondContact N-O 3.3Å; G43-K234 VanDerWaalsContact CA-O 3.24Å; G43-K234 WeakPolarHBondContact CA-O 3.45Å; G43-K234 PolarHBondContact N-O 2.77Å; G43-N237 WeakPolarHBondContact CA-OD1 3.32Å |
| 44 | M | 96.6 | Very high | 96.7 | Very high | 24 Ų | 24 | 33.2 Ų | 33.2 | 12% | 0.118 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 142.3 | 179.1 | -64.3 | -53.5 | -69.5 | 0 | 0 | 111.3 | F28 F29 I30 Y36 S46 N237 Y390 | F28-M44 HydrophobicContact CB-CB 4.31Å; F28-M44 HydrophobicContact CD1-CB 4Å; F28-M44 WeakPolarHBondContact CD1-O 3.37Å; F29-M44 WeakPolarHBondContact O-CE 3.47Å; I30-M44 HydrophobicContact CG1-CE 4.17Å; I30-M44 HydrophobicContact CG1-CG 4.36Å; Y36-M44 HydrophobicContact CD1-CG 3.72Å; Y36-M44 HydrophobicContact CD1-SD 3.43Å; Y36-M44 WeakPolarHBondContact CD1-SD 3.42Å; Y36-M44 HydrophobicContact CD2-CE 4.41Å; Y36-M44 HydrophobicContact CD2-SD 3.58Å; Y36-M44 VanDerWaalsContact CD2-SD 3.58Å; Y36-M44 HydrophobicContact CE1-CG 4.04Å; Y36-M44 HydrophobicContact CE1-SD 3.47Å; Y36-M44 WeakPolarHBondContact CE1-SD 3.24Å; Y36-M44 HydrophobicContact CE2-SD 3.65Å; Y36-M44 HydrophobicContact CG-CG 4.11Å; Y36-M44 HydrophobicContact CG-SD 3.47Å; Y36-M44 VanDerWaalsContact CZ-SD 3.6Å; M44-S46 PolarHBondContact O-N 3.24Å; M44-N237 PolarHBondContact N-OD1 3.02Å; M44-N237 WeakPolarHBondContact O-CB 3.45Å; M44-Y390 HydrophobicContact CB-CD1 4.42Å; M44-Y390 HydrophobicContact CB-CE1 4.01Å; M44-Y390 HydrophobicContact CB-CE2 4.39Å; M44-Y390 HydrophobicContact CG-CD2 4.23Å; M44-Y390 HydrophobicContact CG-CE1 4.22Å; M44-Y390 HydrophobicContact CG-CE2 3.71Å; M44-Y390 PolarHBondContact N-OH 2.9Å |
| 45 | A | 96.1 | Very high | 96.9 | Very high | 45 Ų | 45 | 37.7 Ų | 37.7 | 37% | 0.372 | 20% | 0.204 | S | C | . | . | P | Polyproline II helix | trans | -63.2 | 131.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | F28 F29 | F28-A45 WeakPolarHBondContact CA-O 3.33Å; F29-A45 HydrophobicContact CD2-CB 4.12Å; F29-A45 WeakPolarHBondContact CD2-O 3.33Å; F29-A45 PolarHBondContact N-O 3.41Å |
| 46 | S | 96.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -92.1 | 150.4 | 171.6 | 73.2 | 0 | 0 | 0 | 0 | 111.5 | D27 M44 A48 A49 V50 | D27-S46 CarbonylContact O-C 3.3Å; D27-S46 VanDerWaalsContact O-CA 3.26Å; D27-S46 WeakPolarHBondContact O-CA 3.38Å; M44-S46 PolarHBondContact O-N 3.24Å; S46-A48 PolarHBondContact O-N 3.39Å; S46-A49 WeakPolarHBondContact O-CB 3.49Å; S46-A49 PolarHBondContact O-N 2.8Å; S46-A49 VanDerWaalsContact O-N 3.12Å; S46-A49 VanDerWaalsContact OG-CB 3.3Å; S46-A49 WeakPolarHBondContact OG-CB 3.4Å; S46-A49 PolarHBondContact OG-N 2.8Å; S46-V50 PolarHBondContact O-N 3.05Å |
| 47 | K | 97.4 | Very high | 96.9 | Very high | 92 Ų | 92 | 39.4 Ų | 39.4 | 40% | 0.4 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -55.6 | -37.2 | 171.9 | -69 | 176.5 | -179.3 | 168.3 | 0 | 111.2 | E26 D27 F29 T51 | E26-K47 WeakPolarHBondContact O-CE 3.23Å; E26-K47 PolarHBondContact O-NZ 3.4Å; D27-K47 PolarHBondContact O-N 3.17Å; F29-K47 HydrophobicContact CE1-CG 4.47Å; F29-K47 HydrophobicContact CE2-CB 4.4Å; F29-K47 HydrophobicContact CE2-CG 3.88Å; F29-K47 HydrophobicContact CZ-CG 3.84Å; K47-T51 VanDerWaalsContact O-CB 3.3Å; K47-T51 WeakPolarHBondContact O-CB 3.05Å; K47-T51 PolarHBondContact O-N 3.45Å; K47-T51 PolarHBondContact O-OG1 3.44Å |
| 48 | A | 96.6 | Very high | 96.9 | Very high | 33 Ų | 33 | 44.4 Ų | 44.4 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.5 | -43.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S46 T51 S52 G301 I305 | S46-A48 PolarHBondContact O-N 3.39Å; A48-T51 PolarHBondContact O-N 3.15Å; A48-S52 WeakPolarHBondContact O-CB 3.22Å; A48-S52 PolarHBondContact O-N 3.47Å; A48-G301 WeakPolarHBondContact CB-O 3.32Å; A48-I305 HydrophobicContact CB-CD1 4.47Å |
| 49 | A | 96.7 | Very high | 97 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 5% | 0.05 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.9 | -48.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S46 T51 S52 I53 G298 | S46-A49 WeakPolarHBondContact O-CB 3.49Å; S46-A49 PolarHBondContact O-N 2.8Å; S46-A49 VanDerWaalsContact O-N 3.12Å; S46-A49 VanDerWaalsContact OG-CB 3.3Å; S46-A49 WeakPolarHBondContact OG-CB 3.4Å; S46-A49 PolarHBondContact OG-N 2.8Å; A49-T51 PolarHBondContact O-N 3.07Å; A49-S52 WeakPolarHBondContact O-CB 3.49Å; A49-S52 PolarHBondContact O-N 3.01Å; A49-I53 WeakPolarHBondContact O-CG1 3.41Å; A49-I53 PolarHBondContact O-N 3.05Å; A49-G298 WeakPolarHBondContact CA-O 3.09Å; A49-G298 WeakPolarHBondContact CB-O 3.3Å |
| 50 | V | 97 | Very high | 97 | Very high | 46 Ų | 46 | 53.8 Ų | 53.8 | 28% | 0.279 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.8 | -48.9 | 177.6 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | F29 S46 S52 I53 E54 | F29-V50 HydrophobicContact CD2-CG2 4.2Å; F29-V50 HydrophobicContact CE2-CB 4.08Å; F29-V50 HydrophobicContact CE2-CG2 3.53Å; F29-V50 HydrophobicContact CZ-CG2 4.31Å; S46-V50 PolarHBondContact O-N 3.05Å; V50-S52 VanDerWaalsContact C-N 3.26Å; V50-S52 PolarHBondContact O-N 3.34Å; V50-I53 PolarHBondContact O-N 3.36Å; V50-E54 HydrophobicContact CG1-CG 4.43Å; V50-E54 WeakPolarHBondContact O-CG 3.42Å; V50-E54 PolarHBondContact O-N 3.28Å |
| 51 | T | 97.6 | Very high | 97 | Very high | 59 Ų | 59 | 60.3 Ų | 60.3 | 36% | 0.362 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.4 | -38.2 | 177.5 | -62.6 | 0 | 0 | 0 | 0 | 112 | K47 A48 A49 K55 | K47-T51 VanDerWaalsContact O-CB 3.3Å; K47-T51 WeakPolarHBondContact O-CB 3.05Å; K47-T51 PolarHBondContact O-N 3.45Å; K47-T51 PolarHBondContact O-OG1 3.44Å; A48-T51 PolarHBondContact O-N 3.15Å; A49-T51 PolarHBondContact O-N 3.07Å; T51-K55 HydrophobicContact CG2-CD 4.27Å; T51-K55 WeakPolarHBondContact O-CB 3.49Å; T51-K55 VanDerWaalsContact O-CG 3.3Å; T51-K55 WeakPolarHBondContact O-CG 3.29Å; T51-K55 PolarHBondContact O-N 2.87Å |
| 52 | S | 97.1 | Very high | 97.2 | Very high | 14 Ų | 14 | 67.5 Ų | 67.5 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.9 | -41.1 | 179.2 | -170.3 | 0 | 0 | 0 | 0 | 112.1 | A48 A49 V50 K55 M56 A297 | A48-S52 WeakPolarHBondContact O-CB 3.22Å; A48-S52 PolarHBondContact O-N 3.47Å; A49-S52 WeakPolarHBondContact O-CB 3.49Å; A49-S52 PolarHBondContact O-N 3.01Å; V50-S52 VanDerWaalsContact C-N 3.26Å; V50-S52 PolarHBondContact O-N 3.34Å; S52-K55 PolarHBondContact O-N 2.89Å; S52-M56 PolarHBondContact O-N 3.36Å; S52-M56 VanDerWaalsContact O-N 3.1Å; S52-A297 WeakPolarHBondContact CB-O 3.35Å; S52-A297 PolarHBondContact OG-O 3.48Å |
| 53 | I | 97.2 | Very high | 97.2 | Very high | 59 Ų | 59 | 68 Ų | 68 | 30% | 0.303 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 173.7 | -64.1 | 170.9 | 0 | 0 | 0 | 110.6 | A49 V50 K55 M56 I57 A297 | A49-I53 WeakPolarHBondContact O-CG1 3.41Å; A49-I53 PolarHBondContact O-N 3.05Å; V50-I53 PolarHBondContact O-N 3.36Å; I53-K55 VanDerWaalsContact C-N 3.34Å; I53-K55 PolarHBondContact O-N 3.31Å; I53-M56 WeakPolarHBondContact O-CB 3.37Å; I53-M56 PolarHBondContact O-N 2.68Å; I53-I57 HydrophobicContact CG2-CD1 3.9Å; I53-I57 HydrophobicContact CG2-CG1 4.42Å; I53-I57 WeakPolarHBondContact O-CG1 3.27Å; I53-I57 PolarHBondContact O-N 3.05Å; I53-A297 HydrophobicContact CG1-CB 4.44Å |
| 54 | E | 97.8 | Very high | 97.2 | Very high | 112 Ų | 112 | 69.2 Ų | 69.2 | 52% | 0.523 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.5 | -44.3 | 178.4 | -72 | 175.7 | 158.2 | 0 | 0 | 111.9 | V50 M56 I57 E58 | V50-E54 HydrophobicContact CG1-CG 4.43Å; V50-E54 WeakPolarHBondContact O-CG 3.42Å; V50-E54 PolarHBondContact O-N 3.28Å; E54-M56 VanDerWaalsContact C-N 3.27Å; E54-M56 PolarHBondContact O-N 3.11Å; E54-I57 WeakPolarHBondContact O-CB 3.44Å; E54-I57 PolarHBondContact O-N 2.77Å; E54-E58 PolarHBondContact O-N 2.98Å |
| 55 | K | 97.6 | Very high | 97.2 | Very high | 147 Ų | 147 | 73.8 Ų | 73.8 | 64% | 0.639 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -57.8 | -40.9 | 173.8 | -77.2 | 172.9 | -179.4 | 174 | 0 | 112 | T51 S52 I53 E58 R59 | T51-K55 HydrophobicContact CG2-CD 4.27Å; T51-K55 WeakPolarHBondContact O-CB 3.49Å; T51-K55 VanDerWaalsContact O-CG 3.3Å; T51-K55 WeakPolarHBondContact O-CG 3.29Å; T51-K55 PolarHBondContact O-N 2.87Å; S52-K55 PolarHBondContact O-N 2.89Å; I53-K55 VanDerWaalsContact C-N 3.34Å; I53-K55 PolarHBondContact O-N 3.31Å; K55-E58 PolarHBondContact O-N 3.1Å; K55-R59 WeakPolarHBondContact O-CB 3.42Å; K55-R59 PolarHBondContact O-N 2.92Å |
| 56 | M | 97.3 | Very high | 97.2 | Very high | 15 Ų | 15 | 77.6 Ų | 77.6 | 7% | 0.074 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.9 | -35.2 | 178.6 | -167.9 | 60.2 | 73.7 | 0 | 0 | 112.4 | S52 I53 E54 R59 W60 L71 Y74 I293 F294 A297 | S52-M56 PolarHBondContact O-N 3.36Å; S52-M56 VanDerWaalsContact O-N 3.1Å; I53-M56 WeakPolarHBondContact O-CB 3.37Å; I53-M56 PolarHBondContact O-N 2.68Å; E54-M56 VanDerWaalsContact C-N 3.27Å; E54-M56 PolarHBondContact O-N 3.11Å; M56-R59 WeakPolarHBondContact O-CB 3.39Å; M56-R59 PolarHBondContact O-N 3.44Å; M56-W60 PolarHBondContact O-N 3.24Å; M56-L71 HydrophobicContact CE-CD2 3.76Å; M56-L71 HydrophobicContact SD-CD1 3.88Å; M56-L71 HydrophobicContact SD-CD2 3.9Å; M56-Y74 HydrophobicContact CE-CD1 4.45Å; M56-Y74 HydrophobicContact CE-CE1 3.81Å; M56-Y74 HydrophobicContact CE-CE2 4.19Å; M56-I293 HydrophobicContact CE-CG2 3.74Å; M56-I293 HydrophobicContact CG-CG2 3.5Å; M56-I293 VanDerWaalsContact CG-CG2 3.5Å; M56-I293 HydrophobicContact SD-CG2 3.41Å; M56-I293 WeakPolarHBondContact SD-CG2 3.38Å; M56-F294 HydrophobicContact CB-CD1 4.19Å; M56-F294 HydrophobicContact CB-CE1 4.36Å; M56-F294 HydrophobicContact CG-CD1 3.78Å; M56-F294 HydrophobicContact CG-CE1 3.87Å; M56-A297 HydrophobicContact CB-CB 3.84Å; M56-A297 HydrophobicContact CE-CB 4.22Å; M56-A297 HydrophobicContact CG-CB 4.16Å |
| 57 | I | 97.8 | Very high | 97.2 | Very high | 65 Ų | 65 | 77.9 Ų | 77.9 | 33% | 0.333 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 172.2 | -69.3 | 167.9 | 0 | 0 | 0 | 110.5 | I53 E54 R59 W60 K61 F294 | I53-I57 HydrophobicContact CG2-CD1 3.9Å; I53-I57 HydrophobicContact CG2-CG1 4.42Å; I53-I57 WeakPolarHBondContact O-CG1 3.27Å; I53-I57 PolarHBondContact O-N 3.05Å; E54-I57 WeakPolarHBondContact O-CB 3.44Å; E54-I57 PolarHBondContact O-N 2.77Å; I57-R59 VanDerWaalsContact C-N 3.29Å; I57-R59 PolarHBondContact O-N 2.92Å; I57-W60 PolarHBondContact O-N 3.31Å; I57-K61 HydrophobicContact CG2-CD 4.05Å; I57-K61 WeakPolarHBondContact O-CG 3.22Å; I57-K61 PolarHBondContact O-N 3.37Å; I57-F294 HydrophobicContact CG1-CD1 4.31Å; I57-F294 HydrophobicContact CG1-CE1 3.98Å |
| 58 | E | 98.1 | Very high | 97 | Very high | 105 Ų | 105 | 78.2 Ų | 78.2 | 49% | 0.491 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.2 | -37.3 | 176.8 | -69.7 | -52.3 | 128 | 0 | 0 | 112.1 | E54 K55 K61 K62 | E54-E58 PolarHBondContact O-N 2.98Å; K55-E58 PolarHBondContact O-N 3.1Å; E58-K61 PolarHBondContact O-N 3.27Å; E58-K61 IonicContact OE1-NZ 2.72Å; E58-K61 PolarHBondContact OE1-NZ 3.25Å; E58-K61 IonicContact OE2-NZ 3.55Å; E58-K61 PolarHBondContact OE2-NZ 2.95Å; E58-K62 WeakPolarHBondContact O-CB 3.37Å; E58-K62 PolarHBondContact O-N 2.71Å |
| 59 | R | 97.3 | Very high | 96.8 | Very high | 58 Ų | 58 | 82.7 Ų | 82.7 | 22% | 0.219 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.7 | -49.4 | 172.5 | -169.6 | -179.9 | -179.4 | -177.7 | -0.1 | 111.4 | K55 M56 I57 K61 K62 E63 D70 | K55-R59 WeakPolarHBondContact O-CB 3.42Å; K55-R59 PolarHBondContact O-N 2.92Å; M56-R59 WeakPolarHBondContact O-CB 3.39Å; M56-R59 PolarHBondContact O-N 3.44Å; I57-R59 VanDerWaalsContact C-N 3.29Å; I57-R59 PolarHBondContact O-N 2.92Å; R59-K61 PolarHBondContact O-N 2.94Å; R59-K62 PolarHBondContact O-N 3.06Å; R59-E63 HydrophobicContact CG-CG 4.4Å; R59-E63 WeakPolarHBondContact CG-OE1 3.41Å; R59-E63 IonicContact CZ-OE2 2.73Å; R59-E63 IonicContact NE-OE1 3.75Å; R59-E63 PolarHBondContact NE-OE1 2.86Å; R59-E63 IonicContact NE-OE2 3.08Å; R59-E63 PolarHBondContact NE-OE2 3.44Å; R59-E63 IonicContact NH2-OE2 3.42Å; R59-E63 PolarHBondContact NH2-OE2 2.9Å; R59-E63 WeakPolarHBondContact O-CB 3.43Å; R59-E63 PolarHBondContact O-N 2.87Å; R59-D70 IonicContact CZ-OD1 2.93Å; R59-D70 IonicContact CZ-OD2 3.54Å; R59-D70 IonicContact NH1-OD1 2.73Å; R59-D70 PolarHBondContact NH1-OD1 3.21Å; R59-D70 IonicContact NH1-OD2 3.99Å; R59-D70 PolarHBondContact NH1-OD2 2.9Å; R59-D70 VanDerWaalsContact NH2-CG 3.26Å; R59-D70 IonicContact NH2-OD1 3.96Å; R59-D70 PolarHBondContact NH2-OD1 3.17Å; R59-D70 IonicContact NH2-OD2 3.84Å; R59-D70 PolarHBondContact NH2-OD2 3.39Å; R59-D70 VanDerWaalsContact NH2-OD2 3.16Å |
| 60 | W | 97.2 | Very high | 96.7 | Very high | 159 Ų | 159 | 85.7 Ų | 85.7 | 60% | 0.602 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -59.7 | -45.2 | 177.4 | 177.9 | 33.3 | 0 | 0 | 0 | 112.1 | M56 I57 K62 G64 F294 | M56-W60 PolarHBondContact O-N 3.24Å; I57-W60 PolarHBondContact O-N 3.31Å; W60-K62 VanDerWaalsContact C-N 3.29Å; W60-K62 PolarHBondContact O-N 3.47Å; W60-G64 WeakPolarHBondContact O-CA 3.44Å; W60-G64 PolarHBondContact O-N 3.04Å; W60-F294 HydrophobicContact CB-CZ 4.47Å; W60-F294 HydrophobicContact CD2-CZ 4.05Å; W60-F294 HydrophobicContact CE3-CE1 4.44Å; W60-F294 HydrophobicContact CE3-CE2 4.11Å; W60-F294 AromaticContact CE3-CZ 3.45Å; W60-F294 HydrophobicContact CE3-CZ 3.45Å; W60-F294 VanDerWaalsContact CE3-CZ 3.45Å; W60-F294 HydrophobicContact CZ3-CE2 4.13Å; W60-F294 AromaticContact CZ3-CZ 3.93Å; W60-F294 HydrophobicContact CZ3-CZ 3.93Å |
| 61 | K | 97.5 | Very high | 96.6 | Very high | 138 Ų | 138 | 84 Ų | 84 | 60% | 0.6 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -57.8 | -40.7 | 176.9 | -73.5 | 167 | 65.3 | -156.8 | 0 | 112.5 | I57 E58 R59 | I57-K61 HydrophobicContact CG2-CD 4.05Å; I57-K61 WeakPolarHBondContact O-CG 3.22Å; I57-K61 PolarHBondContact O-N 3.37Å; E58-K61 PolarHBondContact O-N 3.27Å; E58-K61 IonicContact OE1-NZ 2.72Å; E58-K61 PolarHBondContact OE1-NZ 3.25Å; E58-K61 IonicContact OE2-NZ 3.55Å; E58-K61 PolarHBondContact OE2-NZ 2.95Å; R59-K61 PolarHBondContact O-N 2.94Å |
| 62 | K | 97.9 | Very high | 96.4 | Very high | 184 Ų | 184 | 83.4 Ų | 83.4 | 80% | 0.8 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -82.5 | -42.2 | -175.4 | -174.4 | -179.1 | 176.2 | -173.4 | 0 | 113.3 | E58 R59 W60 | E58-K62 WeakPolarHBondContact O-CB 3.37Å; E58-K62 PolarHBondContact O-N 2.71Å; R59-K62 PolarHBondContact O-N 3.06Å; W60-K62 VanDerWaalsContact C-N 3.29Å; W60-K62 PolarHBondContact O-N 3.47Å |
| 63 | E | 97.8 | Very high | 96.2 | Very high | 60 Ų | 60 | 85.4 Ų | 85.4 | 28% | 0.28 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -98.8 | -23.2 | -169.5 | -66.1 | 173.9 | -156.3 | 0 | 0 | 113 | R59 V65 Q66 A67 | R59-E63 HydrophobicContact CG-CG 4.4Å; R59-E63 WeakPolarHBondContact CG-OE1 3.41Å; R59-E63 IonicContact CZ-OE2 2.73Å; R59-E63 IonicContact NE-OE1 3.75Å; R59-E63 PolarHBondContact NE-OE1 2.86Å; R59-E63 IonicContact NE-OE2 3.08Å; R59-E63 PolarHBondContact NE-OE2 3.44Å; R59-E63 IonicContact NH2-OE2 3.42Å; R59-E63 PolarHBondContact NH2-OE2 2.9Å; R59-E63 WeakPolarHBondContact O-CB 3.43Å; R59-E63 PolarHBondContact O-N 2.87Å; E63-V65 PolarHBondContact O-N 2.76Å; E63-Q66 HydrophobicContact CB-CB 4.33Å; E63-Q66 VanDerWaalsContact O-CB 3.27Å; E63-Q66 WeakPolarHBondContact O-CB 3.07Å; E63-Q66 PolarHBondContact O-N 3.11Å; E63-A67 HydrophobicContact CB-CB 4.01Å |
| 64 | G | 96.3 | Very high | 96.2 | Very high | 32 Ų | 32 | 83.5 Ų | 83.5 | 33% | 0.33 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | 54.2 | -126.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | W60 Q66 A67 | W60-G64 WeakPolarHBondContact O-CA 3.44Å; W60-G64 PolarHBondContact O-N 3.04Å; G64-Q66 PolarHBondContact O-N 3.1Å; G64-A67 WeakPolarHBondContact O-CB 3.27Å; G64-A67 PolarHBondContact O-N 3.45Å |
| 65 | V | 95.6 | Very high | 96.1 | Very high | 121 Ų | 121 | 78.4 Ų | 78.4 | 73% | 0.733 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -64.7 | -24.7 | 177.6 | 71.4 | 0 | 0 | 0 | 0 | 113.1 | E63 A67 W68 | E63-V65 PolarHBondContact O-N 2.76Å; V65-A67 PolarHBondContact O-N 3.46Å; V65-A67 VanDerWaalsContact O-N 3.16Å; V65-W68 WeakPolarHBondContact O-CB 3.42Å; V65-W68 PolarHBondContact O-N 2.91Å |
| 66 | Q | 96.8 | Very high | 96 | Very high | 125 Ų | 125 | 74.8 Ų | 74.8 | 58% | 0.584 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -65.5 | -19.4 | -179.1 | -59.1 | -179.4 | -3.6 | 0 | 0 | 112.5 | E63 G64 W68 N69 | E63-Q66 HydrophobicContact CB-CB 4.33Å; E63-Q66 VanDerWaalsContact O-CB 3.27Å; E63-Q66 WeakPolarHBondContact O-CB 3.07Å; E63-Q66 PolarHBondContact O-N 3.11Å; G64-Q66 PolarHBondContact O-N 3.1Å; Q66-W68 PolarHBondContact O-N 2.94Å; Q66-N69 VanDerWaalsContact O-CB 3.25Å; Q66-N69 WeakPolarHBondContact O-CB 3.24Å; Q66-N69 PolarHBondContact O-N 3.21Å; Q66-N69 PolarHBondContact O-ND2 3.06Å |
| 67 | A | 95.9 | Very high | 96 | Very high | 5 Ų | 5 | 78.8 Ų | 78.8 | 4% | 0.041 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -61.7 | -24.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E63 G64 V65 N69 D70 L71 | E63-A67 HydrophobicContact CB-CB 4.01Å; G64-A67 WeakPolarHBondContact O-CB 3.27Å; G64-A67 PolarHBondContact O-N 3.45Å; V65-A67 PolarHBondContact O-N 3.46Å; V65-A67 VanDerWaalsContact O-N 3.16Å; A67-N69 PolarHBondContact O-N 3.4Å; A67-D70 VanDerWaalsContact O-OD1 3.07Å; A67-L71 HydrophobicContact CB-CD1 3.6Å; A67-L71 HydrophobicContact CB-CG 4.43Å; A67-L71 WeakPolarHBondContact O-CB 3.43Å; A67-L71 WeakPolarHBondContact O-CG 3.2Å; A67-L71 PolarHBondContact O-N 2.93Å; A67-L71 VanDerWaalsContact O-N 3.1Å |
| 68 | W | 94.3 | Very high | 96 | Very high | 99 Ų | 99 | 75.7 Ų | 75.7 | 38% | 0.375 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -70.8 | -2.6 | 173.9 | -73.5 | 114.4 | 0 | 0 | 0 | 114.4 | V65 Q66 D70 L71 Y72 F263 P291 I293 | V65-W68 WeakPolarHBondContact O-CB 3.42Å; V65-W68 PolarHBondContact O-N 2.91Å; Q66-W68 PolarHBondContact O-N 2.94Å; W68-D70 PolarHBondContact O-N 3.34Å; W68-L71 HydrophobicContact CE3-CB 4.38Å; W68-Y72 WeakPolarHBondContact O-CD1 3.41Å; W68-F263 HydrophobicContact CH2-CZ 4.46Å; W68-F263 HydrophobicContact CZ3-CE1 4.38Å; W68-F263 AromaticContact CZ3-CZ 3.98Å; W68-F263 HydrophobicContact CZ3-CZ 3.98Å; W68-P291 HydrophobicContact CH2-CG 4.34Å; W68-P291 HydrophobicContact CZ3-CG 4.09Å; W68-I293 HydrophobicContact CH2-CG1 4.23Å |
| 69 | N | 92.9 | Very high | 96 | Very high | 127 Ų | 127 | 70.9 Ų | 70.9 | 68% | 0.679 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -64 | -23.6 | 175.4 | -72.3 | -20.2 | 0 | 0 | 0 | 113.1 | Q66 A67 Y72 | Q66-N69 VanDerWaalsContact O-CB 3.25Å; Q66-N69 WeakPolarHBondContact O-CB 3.24Å; Q66-N69 PolarHBondContact O-N 3.21Å; Q66-N69 PolarHBondContact O-ND2 3.06Å; A67-N69 PolarHBondContact O-N 3.4Å; N69-Y72 WeakPolarHBondContact O-CE1 3.31Å |
| 70 | D | 93.7 | Very high | 96 | Very high | 69 Ų | 69 | 70.3 Ų | 70.3 | 37% | 0.369 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.2 | -24.7 | 179.7 | 65.9 | -40.9 | 0 | 0 | 0 | 112.8 | R59 A67 W68 Y72 I73 | R59-D70 IonicContact CZ-OD1 2.93Å; R59-D70 IonicContact CZ-OD2 3.54Å; R59-D70 IonicContact NH1-OD1 2.73Å; R59-D70 PolarHBondContact NH1-OD1 3.21Å; R59-D70 IonicContact NH1-OD2 3.99Å; R59-D70 PolarHBondContact NH1-OD2 2.9Å; R59-D70 VanDerWaalsContact NH2-CG 3.26Å; R59-D70 IonicContact NH2-OD1 3.96Å; R59-D70 PolarHBondContact NH2-OD1 3.17Å; R59-D70 IonicContact NH2-OD2 3.84Å; R59-D70 PolarHBondContact NH2-OD2 3.39Å; R59-D70 VanDerWaalsContact NH2-OD2 3.16Å; A67-D70 VanDerWaalsContact O-OD1 3.07Å; W68-D70 PolarHBondContact O-N 3.34Å; D70-Y72 PolarHBondContact O-N 2.96Å; D70-Y72 VanDerWaalsContact O-N 3.1Å; D70-I73 WeakPolarHBondContact O-CG1 3.41Å; D70-I73 PolarHBondContact O-N 3.27Å |
| 71 | L | 94.9 | Very high | 96.1 | Very high | 10 Ų | 10 | 64.4 Ų | 64.4 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -64.5 | -18.1 | -179 | -71.9 | -180 | 0 | 0 | 0 | 113.9 | M56 A67 W68 I73 Y74 I293 | M56-L71 HydrophobicContact CE-CD2 3.76Å; M56-L71 HydrophobicContact SD-CD1 3.88Å; M56-L71 HydrophobicContact SD-CD2 3.9Å; A67-L71 HydrophobicContact CB-CD1 3.6Å; A67-L71 HydrophobicContact CB-CG 4.43Å; A67-L71 WeakPolarHBondContact O-CB 3.43Å; A67-L71 WeakPolarHBondContact O-CG 3.2Å; A67-L71 PolarHBondContact O-N 2.93Å; A67-L71 VanDerWaalsContact O-N 3.1Å; W68-L71 HydrophobicContact CE3-CB 4.38Å; L71-I73 PolarHBondContact O-N 3.13Å; L71-Y74 HydrophobicContact CD2-CD2 4.24Å; L71-Y74 HydrophobicContact CD2-CG 4.17Å; L71-Y74 WeakPolarHBondContact O-CB 3.2Å; L71-Y74 PolarHBondContact O-N 3.08Å; L71-I293 HydrophobicContact CB-CD1 4.06Å; L71-I293 HydrophobicContact CD1-CG2 4.14Å; L71-I293 HydrophobicContact CD2-CG2 4.42Å; L71-I293 WeakPolarHBondContact O-CD1 3.4Å |
| 72 | Y | 92.7 | Very high | 96.1 | Very high | 48 Ų | 48 | 57.9 Ų | 57.9 | 19% | 0.188 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -64.5 | -25.6 | 177 | 76.9 | -86.9 | 0 | 0 | 0 | 113.2 | W68 N69 D70 N267 F271 | W68-Y72 WeakPolarHBondContact O-CD1 3.41Å; N69-Y72 WeakPolarHBondContact O-CE1 3.31Å; D70-Y72 PolarHBondContact O-N 2.96Å; D70-Y72 VanDerWaalsContact O-N 3.1Å; Y72-N267 HydrophobicContact CE2-CB 4.08Å; Y72-F271 AromaticContact CD1-CE2 3.94Å; Y72-F271 HydrophobicContact CD1-CE2 3.94Å; Y72-F271 HydrophobicContact CD1-CZ 4.2Å; Y72-F271 AromaticContact CD2-CE2 3.73Å; Y72-F271 HydrophobicContact CD2-CE2 3.73Å; Y72-F271 HydrophobicContact CD2-CZ 4.16Å; Y72-F271 HydrophobicContact CE1-CE2 4.1Å; Y72-F271 AromaticContact CE2-CE2 3.86Å; Y72-F271 HydrophobicContact CE2-CE2 3.86Å; Y72-F271 AromaticContact CG-CE2 3.72Å; Y72-F271 HydrophobicContact CG-CE2 3.72Å; Y72-F271 AromaticContact CG-CZ 3.83Å; Y72-F271 HydrophobicContact CG-CZ 3.83Å |
| 73 | I | 94.4 | Very high | 96.1 | Very high | 56 Ų | 56 | 49.4 Ų | 49.4 | 29% | 0.287 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -99.8 | 11.7 | 172.7 | 57.3 | 172.7 | 0 | 0 | 0 | 113 | D70 L71 G75 E76 N267 | D70-I73 WeakPolarHBondContact O-CG1 3.41Å; D70-I73 PolarHBondContact O-N 3.27Å; L71-I73 PolarHBondContact O-N 3.13Å; I73-G75 PolarHBondContact O-N 3.05Å; I73-G75 VanDerWaalsContact O-N 3.13Å; I73-E76 HydrophobicContact CB-CG 4.36Å; I73-E76 WeakPolarHBondContact O-CB 3.44Å; I73-E76 PolarHBondContact O-N 2.93Å; I73-N267 HydrophobicContact CG2-CB 4.33Å; I73-N267 WeakPolarHBondContact CG2-ND2 3.25Å |
| 74 | Y | 96.3 | Very high | 96.1 | Very high | 19 Ų | 19 | 50.2 Ų | 50.2 | 8% | 0.075 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.5 | -29.9 | -175.9 | -171.6 | -126.5 | 0 | 0 | 0 | 112.7 | M56 L71 E76 K77 I78 I293 M296 A297 E300 | M56-Y74 HydrophobicContact CE-CD1 4.45Å; M56-Y74 HydrophobicContact CE-CE1 3.81Å; M56-Y74 HydrophobicContact CE-CE2 4.19Å; L71-Y74 HydrophobicContact CD2-CD2 4.24Å; L71-Y74 HydrophobicContact CD2-CG 4.17Å; L71-Y74 WeakPolarHBondContact O-CB 3.2Å; L71-Y74 PolarHBondContact O-N 3.08Å; Y74-E76 PolarHBondContact O-N 3.32Å; Y74-K77 HydrophobicContact CD2-CD 4.19Å; Y74-K77 HydrophobicContact CE2-CD 3.86Å; Y74-K77 WeakPolarHBondContact O-CB 3.47Å; Y74-K77 PolarHBondContact O-N 3.08Å; Y74-K77 VanDerWaalsContact O-N 3.13Å; Y74-I78 HydrophobicContact CE1-CD1 4.22Å; Y74-I78 PolarHBondContact O-N 3.13Å; Y74-I293 HydrophobicContact CD1-CD1 3.91Å; Y74-I293 HydrophobicContact CG-CD1 4.34Å; Y74-M296 HydrophobicContact CD1-CB 3.67Å; Y74-M296 HydrophobicContact CD1-CG 4.44Å; Y74-M296 HydrophobicContact CD1-SD 3.89Å; Y74-M296 HydrophobicContact CE1-CB 3.49Å; Y74-M296 VanDerWaalsContact CE1-CB 3.49Å; Y74-A297 WeakPolarHBondContact OH-CA 3.28Å; Y74-E300 WeakPolarHBondContact CE2-OE2 3.37Å; Y74-E300 VanDerWaalsContact CZ-OE2 3.29Å; Y74-E300 PolarHBondContact OH-OE2 2.72Å |
| 75 | G | 95.5 | Very high | 96.2 | Very high | 5 Ų | 5 | 49 Ų | 49 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.6 | -36.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I73 K77 I78 S79 | I73-G75 PolarHBondContact O-N 3.05Å; I73-G75 VanDerWaalsContact O-N 3.13Å; G75-K77 VanDerWaalsContact C-N 3.31Å; G75-K77 PolarHBondContact O-N 3.18Å; G75-I78 PolarHBondContact O-N 3.45Å; G75-I78 VanDerWaalsContact O-N 3.12Å; G75-S79 PolarHBondContact O-N 2.8Å; G75-S79 PolarHBondContact O-OG 2.63Å |
| 76 | E | 95.6 | Very high | 96.4 | Very high | 70 Ų | 70 | 43.2 Ų | 43.2 | 33% | 0.327 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.4 | -37.8 | 179 | -61.3 | -178.3 | -178.6 | 0 | 0 | 112.1 | I73 Y74 I78 S79 A80 N267 | I73-E76 HydrophobicContact CB-CG 4.36Å; I73-E76 WeakPolarHBondContact O-CB 3.44Å; I73-E76 PolarHBondContact O-N 2.93Å; Y74-E76 PolarHBondContact O-N 3.32Å; E76-I78 VanDerWaalsContact C-N 3.34Å; E76-S79 PolarHBondContact O-N 2.7Å; E76-A80 WeakPolarHBondContact O-CB 3.21Å; E76-A80 PolarHBondContact O-N 3.05Å; E76-N267 PolarHBondContact OE1-ND2 3.45Å |
| 77 | K | 96.9 | Very high | 96.4 | Very high | 100 Ų | 100 | 39.6 Ų | 39.6 | 44% | 0.435 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64 | -42.3 | 175.1 | -174.3 | -173.2 | 177.2 | -167.1 | 0 | 110.7 | Y74 G75 A80 L81 E300 | Y74-K77 HydrophobicContact CD2-CD 4.19Å; Y74-K77 HydrophobicContact CE2-CD 3.86Å; Y74-K77 WeakPolarHBondContact O-CB 3.47Å; Y74-K77 PolarHBondContact O-N 3.08Å; Y74-K77 VanDerWaalsContact O-N 3.13Å; G75-K77 VanDerWaalsContact C-N 3.31Å; G75-K77 PolarHBondContact O-N 3.18Å; K77-A80 PolarHBondContact O-N 3.37Å; K77-L81 WeakPolarHBondContact O-CG 3.5Å; K77-L81 PolarHBondContact O-N 3.2Å; K77-E300 VanDerWaalsContact CE-OE1 3.31Å; K77-E300 WeakPolarHBondContact CE-OE1 3.37Å; K77-E300 IonicContact NZ-OE1 3.18Å; K77-E300 PolarHBondContact NZ-OE1 2.63Å; K77-E300 IonicContact NZ-OE2 3.83Å; K77-E300 PolarHBondContact NZ-OE2 2.88Å |
| 78 | I | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.4 | -43.2 | 178.1 | -49.9 | -53.6 | 0 | 0 | 0 | 110.5 | Y74 G75 E76 A80 L81 M82 V95 M296 L299 E300 L303 | Y74-I78 HydrophobicContact CE1-CD1 4.22Å; Y74-I78 PolarHBondContact O-N 3.13Å; G75-I78 PolarHBondContact O-N 3.45Å; G75-I78 VanDerWaalsContact O-N 3.12Å; E76-I78 VanDerWaalsContact C-N 3.34Å; I78-A80 VanDerWaalsContact C-N 3.26Å; I78-A80 PolarHBondContact O-N 3.13Å; I78-L81 CarbonylContact O-C 3.53Å; I78-L81 WeakPolarHBondContact O-CA 3.31Å; I78-L81 WeakPolarHBondContact O-CB 3.37Å; I78-L81 PolarHBondContact O-N 3.45Å; I78-M82 HydrophobicContact CG2-CG 4.44Å; I78-M82 HydrophobicContact CG2-SD 4.47Å; I78-M82 WeakPolarHBondContact O-CG 3.35Å; I78-M82 PolarHBondContact O-N 2.79Å; I78-V95 HydrophobicContact CB-CB 4.49Å; I78-V95 HydrophobicContact CB-CG2 4.12Å; I78-V95 HydrophobicContact CG2-CB 4.33Å; I78-V95 HydrophobicContact CG2-CG1 4.18Å; I78-V95 HydrophobicContact CG2-CG2 3.82Å; I78-M296 HydrophobicContact CD1-CB 4.42Å; I78-M296 HydrophobicContact CG1-CB 4Å; I78-M296 HydrophobicContact CG1-CG 4.25Å; I78-M296 HydrophobicContact CG1-SD 4.43Å; I78-L299 HydrophobicContact CG2-CD2 3.71Å; I78-L299 HydrophobicContact CG2-CG 4.13Å; I78-E300 HydrophobicContact CD1-CB 3.74Å; I78-E300 HydrophobicContact CD1-CG 4.28Å; I78-L303 HydrophobicContact CG2-CD1 3.84Å |
| 79 | S | 98.1 | Very high | 96.7 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.3 | -41.1 | 173.4 | -68 | 0 | 0 | 0 | 0 | 112 | G75 E76 L81 M82 A83 I93 | G75-S79 PolarHBondContact O-N 2.8Å; G75-S79 PolarHBondContact O-OG 2.63Å; E76-S79 PolarHBondContact O-N 2.7Å; S79-L81 VanDerWaalsContact C-N 3.34Å; S79-L81 PolarHBondContact O-N 2.95Å; S79-M82 PolarHBondContact O-N 3Å; S79-A83 PolarHBondContact O-N 3.19Å; S79-I93 WeakPolarHBondContact CB-O 3.47Å; S79-I93 PolarHBondContact OG-O 2.87Å |
| 80 | A | 98.2 | Very high | 97 | Very high | 46 Ų | 46 | 35.9 Ų | 35.9 | 38% | 0.38 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.5 | -35.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E76 K77 I78 M82 P84 P90 | E76-A80 WeakPolarHBondContact O-CB 3.21Å; E76-A80 PolarHBondContact O-N 3.05Å; K77-A80 PolarHBondContact O-N 3.37Å; I78-A80 VanDerWaalsContact C-N 3.26Å; I78-A80 PolarHBondContact O-N 3.13Å; A80-M82 VanDerWaalsContact C-N 3.34Å; A80-P84 WeakPolarHBondContact O-CD 3.32Å; A80-P90 HydrophobicContact CB-CB 4.19Å; A80-P90 HydrophobicContact CB-CG 4.25Å |
| 81 | L | 98.2 | Very high | 97.2 | Very high | 36 Ų | 36 | 37.2 Ų | 37.2 | 19% | 0.188 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -74.4 | -24 | 174.4 | -69 | 172.2 | 0 | 0 | 0 | 112.9 | K77 I78 S79 E300 L303 N307 | K77-L81 WeakPolarHBondContact O-CG 3.5Å; K77-L81 PolarHBondContact O-N 3.2Å; I78-L81 CarbonylContact O-C 3.53Å; I78-L81 WeakPolarHBondContact O-CA 3.31Å; I78-L81 WeakPolarHBondContact O-CB 3.37Å; I78-L81 PolarHBondContact O-N 3.45Å; S79-L81 VanDerWaalsContact C-N 3.34Å; S79-L81 PolarHBondContact O-N 2.95Å; L81-E300 HydrophobicContact CD1-CG 3.8Å; L81-L303 HydrophobicContact CB-CB 3.99Å; L81-L303 HydrophobicContact CB-CD1 3.79Å; L81-L303 HydrophobicContact CD1-CB 4.4Å; L81-N307 PolarHBondContact O-ND2 3.28Å |
| 82 | M | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -84.6 | -29.6 | 175.7 | -68 | -170.1 | 120.2 | 0 | 0 | 113.1 | I78 S79 A80 P84 L85 I93 V95 W230 T232 L236 L299 L303 | I78-M82 HydrophobicContact CG2-CG 4.44Å; I78-M82 HydrophobicContact CG2-SD 4.47Å; I78-M82 WeakPolarHBondContact O-CG 3.35Å; I78-M82 PolarHBondContact O-N 2.79Å; S79-M82 PolarHBondContact O-N 3Å; A80-M82 VanDerWaalsContact C-N 3.34Å; M82-P84 VanDerWaalsContact C-CD 3.49Å; M82-P84 VanDerWaalsContact C-N 3.33Å; M82-L85 VanDerWaalsContact O-CB 3.25Å; M82-L85 WeakPolarHBondContact O-CB 3.46Å; M82-L85 PolarHBondContact O-N 2.84Å; M82-I93 HydrophobicContact CB-CD1 4.25Å; M82-I93 HydrophobicContact CB-CG2 4.42Å; M82-V95 HydrophobicContact SD-CG2 3.46Å; M82-V95 WeakPolarHBondContact SD-CG2 3.41Å; M82-W230 HydrophobicContact SD-CZ2 4.21Å; M82-T232 HydrophobicContact CE-CG2 3.36Å; M82-L236 HydrophobicContact CE-CD1 3.79Å; M82-L299 HydrophobicContact CE-CD2 4.1Å; M82-L303 HydrophobicContact CG-CD1 3.6Å; M82-L303 HydrophobicContact CG-CD2 4.29Å |
| 83 | A | 98.4 | Very high | 97.6 | Very high | 5 Ų | 5 | 34.7 Ų | 34.7 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -51.1 | -41.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S79 L85 I86 N87 A88 P90 I93 | S79-A83 PolarHBondContact O-N 3.19Å; A83-L85 VanDerWaalsContact C-N 3.25Å; A83-L85 PolarHBondContact O-N 3.46Å; A83-I86 PolarHBondContact O-N 3.3Å; A83-N87 PolarHBondContact O-N 3.42Å; A83-N87 VanDerWaalsContact O-N 3.07Å; A83-A88 PolarHBondContact O-N 2.92Å; A83-P90 HydrophobicContact CB-CB 4.42Å; A83-P90 HydrophobicContact CB-CG 3.88Å; A83-I93 VanDerWaalsContact CA-CD1 3.47Å; A83-I93 HydrophobicContact CB-CD1 3.94Å |
| 84 | P | 98.1 | Very high | 97.8 | Very high | 77 Ų | 77 | 32.1 Ų | 32.1 | 50% | 0.5 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -66.2 | -21.1 | 176.5 | -25.8 | 39.1 | 0 | 0 | 0 | 114.8 | A80 M82 I86 N307 | A80-P84 WeakPolarHBondContact O-CD 3.32Å; M82-P84 VanDerWaalsContact C-CD 3.49Å; M82-P84 VanDerWaalsContact C-N 3.33Å; P84-I86 VanDerWaalsContact C-N 3.34Å; P84-N307 WeakPolarHBondContact CG-OD1 3.17Å |
| 85 | L | 98.2 | Very high | 97.9 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.7 | -28.7 | -179.3 | -58.6 | 178.3 | 0 | 0 | 0 | 113.2 | M82 A83 I213 L236 L303 F306 M311 | M82-L85 VanDerWaalsContact O-CB 3.25Å; M82-L85 WeakPolarHBondContact O-CB 3.46Å; M82-L85 PolarHBondContact O-N 2.84Å; A83-L85 VanDerWaalsContact C-N 3.25Å; A83-L85 PolarHBondContact O-N 3.46Å; L85-I213 HydrophobicContact CB-CD1 3.74Å; L85-I213 HydrophobicContact CD1-CD1 4.21Å; L85-I213 HydrophobicContact CD1-CG1 4.31Å; L85-L236 HydrophobicContact CD1-CD1 4.09Å; L85-L236 HydrophobicContact CD1-CD2 3.7Å; L85-L303 HydrophobicContact CD1-CD2 3.65Å; L85-F306 HydrophobicContact CD2-CB 4Å; L85-F306 HydrophobicContact CD2-CD1 4.17Å; L85-F306 HydrophobicContact CD2-CG 4.39Å; L85-M311 HydrophobicContact CD2-CG 3.87Å; L85-M311 HydrophobicContact CD2-SD 3.91Å |
| 86 | I | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -119.3 | 8.2 | -179.2 | 58.2 | 168.5 | 0 | 0 | 0 | 113 | A83 P84 A88 I93 L209 I213 I218 F220 W230 Y247 | A83-I86 PolarHBondContact O-N 3.3Å; P84-I86 VanDerWaalsContact C-N 3.34Å; I86-A88 VanDerWaalsContact C-N 3.26Å; I86-A88 HydrophobicContact CD1-CB 3.85Å; I86-A88 HydrophobicContact CG1-CB 3.86Å; I86-A88 PolarHBondContact O-N 2.99Å; I86-I93 HydrophobicContact CD1-CD1 3.69Å; I86-I93 HydrophobicContact CD1-CG1 3.99Å; I86-I93 HydrophobicContact CG1-CD1 4.04Å; I86-L209 HydrophobicContact CG2-CD1 4Å; I86-I213 HydrophobicContact CG2-CD1 3.39Å; I86-I218 CarbonylContact C-O 3.57Å; I86-I218 WeakPolarHBondContact CA-O 3.4Å; I86-I218 HydrophobicContact CB-CB 4.42Å; I86-I218 HydrophobicContact CB-CG2 4.02Å; I86-I218 HydrophobicContact CG2-CB 4.16Å; I86-I218 HydrophobicContact CG2-CD1 4.2Å; I86-I218 HydrophobicContact CG2-CG2 3.94Å; I86-F220 HydrophobicContact CB-CD2 4.11Å; I86-F220 HydrophobicContact CB-CE2 4.35Å; I86-F220 HydrophobicContact CB-CG 4.27Å; I86-F220 HydrophobicContact CD1-CD2 3.66Å; I86-F220 HydrophobicContact CD1-CE2 3.87Å; I86-F220 HydrophobicContact CG1-CD2 4.32Å; I86-F220 WeakPolarHBondContact O-CB 3.47Å; I86-F220 PolarHBondContact O-N 2.86Å; I86-W230 HydrophobicContact CD1-CH2 3.84Å; I86-W230 HydrophobicContact CD1-CZ3 4.32Å; I86-Y247 HydrophobicContact CD1-CD2 4.04Å; I86-Y247 HydrophobicContact CD1-CG 4.48Å |
| 87 | N | 98.1 | Very high | 97.9 | Very high | 50 Ų | 50 | 30 Ų | 30 | 27% | 0.267 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 43.1 | -173.9 | -163.2 | 18.4 | 0 | 0 | 0 | 114.1 | A83 D219 K221 | A83-N87 PolarHBondContact O-N 3.42Å; A83-N87 VanDerWaalsContact O-N 3.07Å; N87-D219 HydrophobicContact CB-CB 4.44Å; N87-D219 PolarHBondContact ND2-OD1 3.46Å; N87-D219 PolarHBondContact ND2-OD2 3.48Å; N87-K221 WeakPolarHBondContact O-CD 3.2Å; N87-K221 WeakPolarHBondContact O-CE 3.48Å; N87-K221 WeakPolarHBondContact O-CG 3.43Å; N87-K221 PolarHBondContact O-N 3.31Å; N87-K221 PolarHBondContact OD1-NZ 2.79Å |
| 88 | A | 98.1 | Very high | 98 | Very high | 8 Ų | 8 | 28.2 Ų | 28.2 | 7% | 0.066 | 17% | 0.172 | C | C | . | . | trans | -106.1 | 176.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A83 I86 I93 F220 Y247 | A83-A88 PolarHBondContact O-N 2.92Å; I86-A88 VanDerWaalsContact C-N 3.26Å; I86-A88 HydrophobicContact CD1-CB 3.85Å; I86-A88 HydrophobicContact CG1-CB 3.86Å; I86-A88 PolarHBondContact O-N 2.99Å; A88-I93 HydrophobicContact CB-CD1 4.43Å; A88-F220 HydrophobicContact CB-CB 4.35Å; A88-Y247 HydrophobicContact CB-CD2 4.1Å; A88-Y247 HydrophobicContact CB-CE2 3.76Å | ||
| 89 | K | 98.3 | Very high | 97.9 | Very high | 95 Ų | 95 | 28.7 Ų | 28.7 | 41% | 0.413 | 18% | 0.175 | S | C | . | . | trans | -79.8 | 146.5 | 166.9 | -63 | 176.7 | -178.4 | 176.3 | 0 | 109.9 | Q91 E92 | K89-Q91 PolarHBondContact O-N 2.85Å; K89-Q91 VanDerWaalsContact O-N 3.15Å; K89-E92 HydrophobicContact CB-CG 4.16Å; K89-E92 WeakPolarHBondContact CB-OE2 3.48Å; K89-E92 PolarHBondContact N-OE2 3.15Å; K89-E92 WeakPolarHBondContact O-CB 3.47Å; K89-E92 PolarHBondContact O-N 2.9Å | ||
| 90 | P | 98.3 | Very high | 97.9 | Very high | 49 Ų | 49 | 30.5 Ų | 30.5 | 32% | 0.318 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -53.4 | -34.9 | 173.7 | -27.5 | 35.6 | 0 | 0 | 0 | 113.8 | A80 A83 E92 I93 | A80-P90 HydrophobicContact CB-CB 4.19Å; A80-P90 HydrophobicContact CB-CG 4.25Å; A83-P90 HydrophobicContact CB-CB 4.42Å; A83-P90 HydrophobicContact CB-CG 3.88Å; P90-E92 PolarHBondContact O-N 3.01Å; P90-I93 PolarHBondContact O-N 3.3Å; P90-I93 VanDerWaalsContact O-N 3.14Å; P90-I93 VanDerWaalsContact O-O 3.13Å |
| 91 | Q | 98.2 | Very high | 97.8 | Very high | 97 Ų | 97 | 30.2 Ų | 30.2 | 45% | 0.453 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -65.4 | -21.6 | 178.3 | -67.2 | 76.5 | 22.2 | 0 | 0 | 113.1 | K89 I93 F253 D282 A283 | K89-Q91 PolarHBondContact O-N 2.85Å; K89-Q91 VanDerWaalsContact O-N 3.15Å; Q91-I93 PolarHBondContact O-N 3.16Å; Q91-F253 HydrophobicContact CB-CE2 4.33Å; Q91-F253 HydrophobicContact CB-CZ 4.41Å; Q91-F253 WeakPolarHBondContact O-CZ 3.44Å; Q91-D282 HydrophobicContact CB-CB 3.89Å; Q91-D282 HydrophobicContact CG-CB 4.4Å; Q91-D282 WeakPolarHBondContact O-CB 3.43Å; Q91-A283 WeakPolarHBondContact O-CB 3.44Å; Q91-A283 PolarHBondContact O-N 3.24Å |
| 92 | E | 98.7 | Very high | 97.8 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 2% | 0.023 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -84.8 | -0 | 177.8 | -62.5 | 175.2 | 118.5 | 0 | 0 | 112.3 | K89 P90 Y247 I248 Q250 F253 | K89-E92 HydrophobicContact CB-CG 4.16Å; K89-E92 WeakPolarHBondContact CB-OE2 3.48Å; K89-E92 PolarHBondContact N-OE2 3.15Å; K89-E92 WeakPolarHBondContact O-CB 3.47Å; K89-E92 PolarHBondContact O-N 2.9Å; P90-E92 PolarHBondContact O-N 3.01Å; E92-Y247 HydrophobicContact CB-CD2 3.7Å; E92-Y247 HydrophobicContact CB-CE2 3.44Å; E92-Y247 VanDerWaalsContact CB-CE2 3.44Å; E92-Y247 HydrophobicContact CG-CE2 4.21Å; E92-Y247 CarbonylContact O-C 3.19Å; E92-Y247 WeakPolarHBondContact O-CA 3.4Å; E92-Y247 VanDerWaalsContact O-CD2 3.29Å; E92-Y247 WeakPolarHBondContact O-CD2 3.41Å; E92-I248 WeakPolarHBondContact CA-O 3.4Å; E92-I248 WeakPolarHBondContact CB-O 3.11Å; E92-I248 PolarHBondContact O-N 3.18Å; E92-Q250 HydrophobicContact CG-CB 3.97Å; E92-Q250 WeakPolarHBondContact OE1-CB 3.38Å; E92-Q250 WeakPolarHBondContact OE1-CG 3.2Å; E92-Q250 PolarHBondContact OE1-N 3.42Å; E92-F253 HydrophobicContact CB-CZ 4.37Å; E92-F253 HydrophobicContact CG-CZ 3.8Å |
| 93 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 134.4 | -175.8 | -54.6 | 171 | 0 | 0 | 0 | 109.7 | S79 M82 A83 I86 A88 P90 Q91 V95 W230 L246 Y247 | S79-I93 WeakPolarHBondContact CB-O 3.47Å; S79-I93 PolarHBondContact OG-O 2.87Å; M82-I93 HydrophobicContact CB-CD1 4.25Å; M82-I93 HydrophobicContact CB-CG2 4.42Å; A83-I93 VanDerWaalsContact CA-CD1 3.47Å; A83-I93 HydrophobicContact CB-CD1 3.94Å; I86-I93 HydrophobicContact CD1-CD1 3.69Å; I86-I93 HydrophobicContact CD1-CG1 3.99Å; I86-I93 HydrophobicContact CG1-CD1 4.04Å; A88-I93 HydrophobicContact CB-CD1 4.43Å; P90-I93 PolarHBondContact O-N 3.3Å; P90-I93 VanDerWaalsContact O-N 3.14Å; P90-I93 VanDerWaalsContact O-O 3.13Å; Q91-I93 PolarHBondContact O-N 3.16Å; I93-V95 HydrophobicContact CG2-CG2 4.48Å; I93-W230 HydrophobicContact CG2-CH2 4.08Å; I93-W230 HydrophobicContact CG2-CZ2 3.96Å; I93-L246 WeakPolarHBondContact CA-O 3.3Å; I93-Y247 HydrophobicContact CG1-CD2 4.4Å |
| 94 | T | 97.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 145.5 | 163.2 | -173.2 | 0 | 0 | 0 | 0 | 110.2 | T96 G245 L246 A283 Q287 | T94-T96 HydrophobicContact CG2-CG2 3.99Å; T94-G245 WeakPolarHBondContact O-CA 3.21Å; T94-L246 HydrophobicContact CG2-CB 3.81Å; T94-L246 HydrophobicContact CG2-CD2 4.01Å; T94-L246 HydrophobicContact CG2-CG 4.18Å; T94-L246 PolarHBondContact N-O 3.09Å; T94-L246 PolarHBondContact O-N 3.07Å; T94-A283 WeakPolarHBondContact CB-O 3.37Å; T94-A283 HydrophobicContact CG2-CB 4.48Å; T94-A283 VanDerWaalsContact CG2-O 3.29Å; T94-A283 WeakPolarHBondContact CG2-O 3.43Å; T94-Q287 VanDerWaalsContact OG1-CG 3.23Å; T94-Q287 WeakPolarHBondContact OG1-CG 3.3Å |
| 95 | V | 97.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 106.1 | 179.4 | -176.4 | 0 | 0 | 0 | 0 | 107.5 | I78 M82 I93 T243 A244 M296 L299 | I78-V95 HydrophobicContact CB-CB 4.49Å; I78-V95 HydrophobicContact CB-CG2 4.12Å; I78-V95 HydrophobicContact CG2-CB 4.33Å; I78-V95 HydrophobicContact CG2-CG1 4.18Å; I78-V95 HydrophobicContact CG2-CG2 3.82Å; M82-V95 HydrophobicContact SD-CG2 3.46Å; M82-V95 WeakPolarHBondContact SD-CG2 3.41Å; I93-V95 HydrophobicContact CG2-CG2 4.48Å; V95-T243 HydrophobicContact CG1-CG2 3.47Å; V95-T243 VanDerWaalsContact CG1-CG2 3.47Å; V95-A244 CarbonylContact C-O 3.58Å; V95-A244 WeakPolarHBondContact CA-O 3.41Å; V95-M296 HydrophobicContact CB-CE 4.2Å; V95-M296 HydrophobicContact CG1-CE 4.21Å; V95-M296 WeakPolarHBondContact O-CE 3.47Å; V95-L299 HydrophobicContact CG1-CD2 4.2Å |
| 96 | T | 96.7 | Very high | 97.8 | Very high | 15 Ų | 15 | 27 Ų | 27 | 9% | 0.092 | 16% | 0.158 | C | C | . | . | trans | -160.9 | 156.5 | -171.3 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | T94 N102 T243 A244 Q287 | T94-T96 HydrophobicContact CG2-CG2 3.99Å; T96-N102 PolarHBondContact O-ND2 2.88Å; T96-N102 PolarHBondContact O-OD1 3.29Å; T96-T243 VanDerWaalsContact C-OG1 3.31Å; T96-T243 WeakPolarHBondContact CA-OG1 3.25Å; T96-A244 PolarHBondContact N-O 3.18Å; T96-A244 VanDerWaalsContact O-O 3.08Å; T96-Q287 HydrophobicContact CG2-CG 4.39Å | ||
| 97 | G | 96 | Very high | 97.8 | Very high | 34 Ų | 34 | 27 Ų | 27 | 35% | 0.351 | 16% | 0.158 | S | C | . | . | S | Bend | trans | 57.5 | -156.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | T243 A244 | G97-T243 VanDerWaalsContact O-CA 3.32Å; G97-T243 WeakPolarHBondContact O-CA 3.5Å; G97-T243 PolarHBondContact O-OG1 3.44Å; G97-A244 PolarHBondContact O-N 2.91Å |
| 98 | S | 97.3 | Very high | 97.8 | Very high | 63 Ų | 63 | 25.2 Ų | 25.2 | 44% | 0.441 | 15% | 0.149 | S | C | . | . | trans | -110 | 167.5 | 167.7 | 69.5 | 0 | 0 | 0 | 0 | 110.8 | T100 S101 N102 | S98-T100 VanDerWaalsContact C-N 3.33Å; S98-T100 PolarHBondContact O-N 2.86Å; S98-S101 PolarHBondContact N-OG 3.31Å; S98-S101 PolarHBondContact O-N 3.19Å; S98-S101 PolarHBondContact O-OG 3.16Å; S98-S101 PolarHBondContact OG-N 3.3Å; S98-S101 PolarHBondContact OG-OG 3.4Å; S98-N102 PolarHBondContact O-N 2.89Å | ||
| 99 | T | 97 | Very high | 97.8 | Very high | 11 Ų | 11 | 24.9 Ų | 24.9 | 7% | 0.067 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -52.2 | -52.3 | 177.6 | -53.2 | 0 | 0 | 0 | 0 | 111 | S101 N102 I103 C210 V229 C231 A244 | T99-S101 VanDerWaalsContact C-N 3.33Å; T99-S101 PolarHBondContact O-N 3.14Å; T99-N102 CarbonylContact O-C 3.54Å; T99-N102 WeakPolarHBondContact O-CA 3.42Å; T99-N102 PolarHBondContact O-N 2.92Å; T99-I103 HydrophobicContact CG2-CD1 4.24Å; T99-I103 WeakPolarHBondContact O-CG1 3.45Å; T99-I103 PolarHBondContact O-N 2.91Å; T99-C210 VanDerWaalsContact CG2-SG 3.52Å; T99-C210 PolarHBondContact OG1-SG 3.48Å; T99-V229 HydrophobicContact CG2-CB 4.37Å; T99-V229 HydrophobicContact CG2-CG2 3.96Å; T99-C231 WeakPolarHBondContact OG1-CA 2.98Å; T99-C231 VanDerWaalsContact OG1-CB 3.32Å; T99-C231 WeakPolarHBondContact OG1-CB 3.36Å; T99-C231 PolarHBondContact OG1-N 2.83Å; T99-C231 VanDerWaalsContact OG1-N 3.1Å; T99-A244 VanDerWaalsContact N-CB 3.29Å |
| 100 | T | 97.2 | Very high | 97.8 | Very high | 41 Ų | 41 | 20.9 Ų | 20.9 | 25% | 0.252 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -59.1 | -42.3 | -179.1 | -43.5 | 0 | 0 | 0 | 0 | 112.2 | S98 N102 I103 H104 T129 A133 | S98-T100 VanDerWaalsContact C-N 3.33Å; S98-T100 PolarHBondContact O-N 2.86Å; T100-N102 VanDerWaalsContact C-N 3.31Å; T100-N102 PolarHBondContact O-N 2.9Å; T100-I103 PolarHBondContact O-N 3.32Å; T100-H104 PolarHBondContact O-CD2 3.14Å; T100-H104 PolarHBondContact O-N 2.89Å; T100-T129 WeakPolarHBondContact CG2-OG1 3.45Å; T100-T129 WeakPolarHBondContact OG1-CG2 3.49Å; T100-T129 PolarHBondContact OG1-OG1 2.91Å; T100-A133 HydrophobicContact CG2-CB 4.27Å |
| 101 | S | 97.5 | Very high | 97.8 | Very high | 40 Ų | 40 | 18.5 Ų | 18.5 | 28% | 0.28 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -67.1 | -32.8 | 176.4 | 65.7 | 0 | 0 | 0 | 0 | 112.7 | S98 T99 H104 S105 | S98-S101 PolarHBondContact N-OG 3.31Å; S98-S101 PolarHBondContact O-N 3.19Å; S98-S101 PolarHBondContact O-OG 3.16Å; S98-S101 PolarHBondContact OG-N 3.3Å; S98-S101 PolarHBondContact OG-OG 3.4Å; T99-S101 VanDerWaalsContact C-N 3.33Å; T99-S101 PolarHBondContact O-N 3.14Å; S101-H104 PolarHBondContact O-N 2.98Å; S101-S105 WeakPolarHBondContact O-CB 3.24Å; S101-S105 PolarHBondContact O-N 3.11Å |
| 102 | N | 98.2 | Very high | 97.7 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 3% | 0.027 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -73.7 | -32.1 | 175.9 | -70.7 | -7.4 | 0 | 0 | 0 | 111.6 | T96 S98 T99 T100 S105 A106 V229 A244 G245 L246 | T96-N102 PolarHBondContact O-ND2 2.88Å; T96-N102 PolarHBondContact O-OD1 3.29Å; S98-N102 PolarHBondContact O-N 2.89Å; T99-N102 CarbonylContact O-C 3.54Å; T99-N102 WeakPolarHBondContact O-CA 3.42Å; T99-N102 PolarHBondContact O-N 2.92Å; T100-N102 VanDerWaalsContact C-N 3.31Å; T100-N102 PolarHBondContact O-N 2.9Å; N102-S105 PolarHBondContact O-N 3.34Å; N102-A106 WeakPolarHBondContact O-CB 3.47Å; N102-A106 PolarHBondContact O-N 2.73Å; N102-V229 HydrophobicContact CB-CB 4.34Å; N102-V229 HydrophobicContact CB-CG1 3.81Å; N102-A244 WeakPolarHBondContact ND2-CB 3.19Å; N102-G245 PolarHBondContact ND2-O 3.18Å; N102-L246 HydrophobicContact CB-CB 4.25Å; N102-L246 HydrophobicContact CB-CD1 4.43Å |
| 103 | I | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.3 | -49.7 | 168.6 | -64.3 | 170.8 | 0 | 0 | 0 | 109.5 | T99 T100 S105 A106 L107 D130 A133 L177 V229 | T99-I103 HydrophobicContact CG2-CD1 4.24Å; T99-I103 WeakPolarHBondContact O-CG1 3.45Å; T99-I103 PolarHBondContact O-N 2.91Å; T100-I103 PolarHBondContact O-N 3.32Å; I103-S105 VanDerWaalsContact C-N 3.33Å; I103-S105 PolarHBondContact O-N 2.82Å; I103-A106 PolarHBondContact O-N 2.98Å; I103-L107 HydrophobicContact CG2-CD1 3.74Å; I103-L107 HydrophobicContact CG2-CG 4.12Å; I103-L107 WeakPolarHBondContact O-CB 3.2Å; I103-L107 VanDerWaalsContact O-CG 3.31Å; I103-L107 WeakPolarHBondContact O-CG 3.16Å; I103-L107 PolarHBondContact O-N 3.5Å; I103-D130 HydrophobicContact CD1-CB 4.12Å; I103-D130 WeakPolarHBondContact CD1-OD1 3.25Å; I103-A133 HydrophobicContact CB-CB 4.12Å; I103-A133 HydrophobicContact CG2-CB 3.59Å; I103-L177 HydrophobicContact CG2-CD2 3.71Å; I103-V229 HydrophobicContact CD1-CG2 4.32Å; I103-V229 HydrophobicContact CG1-CB 4.45Å; I103-V229 HydrophobicContact CG1-CG1 4.36Å; I103-V229 HydrophobicContact CG1-CG2 3.69Å |
| 104 | H | 98.4 | Very high | 97.5 | Very high | 52 Ų | 52 | 24 Ų | 24 | 24% | 0.241 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.7 | -42.6 | 175.6 | -76.9 | -66.5 | 0 | 0 | 0 | 112.9 | T100 S101 A108 S136 M137 L259 | T100-H104 PolarHBondContact O-CD2 3.14Å; T100-H104 PolarHBondContact O-N 2.89Å; S101-H104 PolarHBondContact O-N 2.98Å; H104-A108 WeakPolarHBondContact O-CB 3.4Å; H104-A108 PolarHBondContact O-N 2.87Å; H104-S136 PolarHBondContact CE1-OG 2.94Å; H104-S136 VanDerWaalsContact CE1-OG 3.28Å; H104-M137 HydrophobicContact CB-CE 4.43Å; H104-M137 WeakPolarHBondContact O-CE 3.2Å; H104-L259 HydrophobicContact CB-CD1 4.33Å |
| 105 | S | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 178.1 | -171.1 | 0 | 0 | 0 | 0 | 112 | S101 N102 I103 T109 | S101-S105 WeakPolarHBondContact O-CB 3.24Å; S101-S105 PolarHBondContact O-N 3.11Å; N102-S105 PolarHBondContact O-N 3.34Å; I103-S105 VanDerWaalsContact C-N 3.33Å; I103-S105 PolarHBondContact O-N 2.82Å; S105-T109 WeakPolarHBondContact O-CB 3.5Å; S105-T109 PolarHBondContact O-N 3.3Å; S105-T109 PolarHBondContact O-OG1 3.47Å |
| 106 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.9 | -49.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N102 I103 A108 T109 F110 F227 L246 | N102-A106 WeakPolarHBondContact O-CB 3.47Å; N102-A106 PolarHBondContact O-N 2.73Å; I103-A106 PolarHBondContact O-N 2.98Å; A106-A108 PolarHBondContact O-N 3.36Å; A106-T109 WeakPolarHBondContact O-CA 3.41Å; A106-T109 WeakPolarHBondContact O-CB 3.29Å; A106-T109 PolarHBondContact O-N 3.09Å; A106-F110 HydrophobicContact CB-CD2 4.46Å; A106-F110 WeakPolarHBondContact O-CD2 3.19Å; A106-F110 PolarHBondContact O-N 2.74Å; A106-F227 HydrophobicContact CB-CD2 3.45Å; A106-F227 VanDerWaalsContact CB-CD2 3.45Å; A106-F227 HydrophobicContact CB-CE2 3.64Å; A106-F227 HydrophobicContact CB-CG 3.94Å; A106-F227 HydrophobicContact CB-CZ 4.27Å; A106-L246 HydrophobicContact CB-CD1 4.29Å |
| 107 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.2 | -40 | 178.9 | -65.4 | 179 | 0 | 0 | 0 | 112 | I103 T109 F110 Y111 I120 V134 M137 V175 | I103-L107 HydrophobicContact CG2-CD1 3.74Å; I103-L107 HydrophobicContact CG2-CG 4.12Å; I103-L107 WeakPolarHBondContact O-CB 3.2Å; I103-L107 VanDerWaalsContact O-CG 3.31Å; I103-L107 WeakPolarHBondContact O-CG 3.16Å; I103-L107 PolarHBondContact O-N 3.5Å; L107-T109 PolarHBondContact O-N 2.95Å; L107-F110 PolarHBondContact O-N 3.03Å; L107-Y111 WeakPolarHBondContact O-CA 3.43Å; L107-Y111 WeakPolarHBondContact O-CB 3.37Å; L107-Y111 PolarHBondContact O-N 3Å; L107-I120 HydrophobicContact CD2-CD1 4.32Å; L107-V134 HydrophobicContact CD1-CB 4.45Å; L107-V134 HydrophobicContact CD1-CG2 3.78Å; L107-M137 HydrophobicContact CB-CB 4.46Å; L107-M137 HydrophobicContact CB-CE 4.24Å; L107-M137 HydrophobicContact CB-CG 3.94Å; L107-M137 HydrophobicContact CD1-CB 4.25Å; L107-V175 HydrophobicContact CD2-CG1 3.96Å |
| 108 | A | 98 | Very high | 97.5 | Very high | 11 Ų | 11 | 41.3 Ų | 41.3 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.2 | -28.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H104 A106 M137 L259 | H104-A108 WeakPolarHBondContact O-CB 3.4Å; H104-A108 PolarHBondContact O-N 2.87Å; A106-A108 PolarHBondContact O-N 3.36Å; A108-M137 HydrophobicContact CB-CE 3.98Å; A108-L259 HydrophobicContact CB-CD2 4.19Å; A108-L259 HydrophobicContact CB-CG 3.87Å |
| 109 | T | 97.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -84 | -40.2 | 179.7 | -57.5 | 0 | 0 | 0 | 0 | 112.9 | S105 A106 L107 H112 K255 G258 W286 | S105-T109 WeakPolarHBondContact O-CB 3.5Å; S105-T109 PolarHBondContact O-N 3.3Å; S105-T109 PolarHBondContact O-OG1 3.47Å; A106-T109 WeakPolarHBondContact O-CA 3.41Å; A106-T109 WeakPolarHBondContact O-CB 3.29Å; A106-T109 PolarHBondContact O-N 3.09Å; L107-T109 PolarHBondContact O-N 2.95Å; T109-H112 PolarHBondContact O-NE2 3.17Å; T109-K255 HydrophobicContact CG2-CB 4.48Å; T109-G258 PolarHBondContact OG1-N 3.3Å; T109-W286 HydrophobicContact CG2-CZ2 3.61Å; T109-W286 VanDerWaalsContact CG2-NE1 3.35Å; T109-W286 PolarHBondContact OG1-NE1 3.33Å |
| 110 | F | 98.3 | Very high | 97.6 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -104.7 | -26.5 | -170.8 | -69.1 | -68.5 | 0 | 0 | 0 | 114 | A106 L107 H112 V175 I204 F227 I248 H252 K255 | A106-F110 HydrophobicContact CB-CD2 4.46Å; A106-F110 WeakPolarHBondContact O-CD2 3.19Å; A106-F110 PolarHBondContact O-N 2.74Å; L107-F110 PolarHBondContact O-N 3.03Å; F110-H112 PolarHBondContact O-N 2.93Å; F110-H112 VanDerWaalsContact O-N 3.12Å; F110-V175 HydrophobicContact CB-CG2 4.49Å; F110-I204 HydrophobicContact CB-CG2 3.87Å; F110-I204 HydrophobicContact CD1-CD1 4.31Å; F110-I204 HydrophobicContact CD1-CG1 4.36Å; F110-I204 HydrophobicContact CD1-CG2 3.89Å; F110-I204 HydrophobicContact CG-CG2 3.85Å; F110-F227 HydrophobicContact CD2-CB 4.34Å; F110-F227 AromaticContact CD2-CD1 3.56Å; F110-F227 HydrophobicContact CD2-CD1 3.56Å; F110-F227 HydrophobicContact CD2-CE1 4.11Å; F110-F227 HydrophobicContact CD2-CG 4.11Å; F110-F227 HydrophobicContact CE2-CB 3.72Å; F110-F227 AromaticContact CE2-CD1 3.78Å; F110-F227 HydrophobicContact CE2-CD1 3.78Å; F110-F227 AromaticContact CE2-CG 3.99Å; F110-F227 HydrophobicContact CE2-CG 3.99Å; F110-F227 HydrophobicContact CG-CD1 4.29Å; F110-F227 HydrophobicContact CZ-CB 4.43Å; F110-I248 HydrophobicContact CE2-CD1 3.75Å; F110-I248 HydrophobicContact CZ-CD1 4.16Å; F110-I248 HydrophobicContact CZ-CG2 4.33Å; F110-H252 HydrophobicContact CE1-CB 4.01Å; F110-H252 AromaticContact CE1-CD2 3.56Å; F110-H252 AromaticContact CE1-CG 3.59Å; F110-H252 AromaticContact CE1-ND1 3.9Å; F110-H252 AromaticContact CE1-NE2 3.84Å; F110-H252 HydrophobicContact CZ-CB 4.11Å; F110-H252 AromaticContact CZ-CD2 3.8Å; F110-K255 HydrophobicContact CD1-CD 4.19Å; F110-K255 HydrophobicContact CE1-CD 3.86Å |
| 111 | Y | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -85 | 90.3 | -179.1 | -174.8 | -124 | 0 | 0 | 0 | 110.9 | L107 P113 Y118 I120 M137 V138 K141 A174 V175 | L107-Y111 WeakPolarHBondContact O-CA 3.43Å; L107-Y111 WeakPolarHBondContact O-CB 3.37Å; L107-Y111 PolarHBondContact O-N 3Å; Y111-P113 VanDerWaalsContact C-CD 3.46Å; Y111-P113 HydrophobicContact CD1-CG 4.41Å; Y111-P113 HydrophobicContact CE1-CB 4.39Å; Y111-P113 HydrophobicContact CE1-CG 3.88Å; Y111-P113 HydrophobicContact CE2-CB 3.87Å; Y111-P113 HydrophobicContact CE2-CG 4.18Å; Y111-P113 VanDerWaalsContact O-CD 3.28Å; Y111-P113 WeakPolarHBondContact O-CD 3.31Å; Y111-Y118 WeakPolarHBondContact CE2-O 3.45Å; Y111-Y118 VanDerWaalsContact CZ-O 3.29Å; Y111-Y118 PolarHBondContact OH-O 3.47Å; Y111-I120 HydrophobicContact CD1-CD1 3.86Å; Y111-I120 HydrophobicContact CD2-CD1 3.74Å; Y111-I120 HydrophobicContact CD2-CG1 3.64Å; Y111-I120 HydrophobicContact CE1-CD1 3.97Å; Y111-I120 HydrophobicContact CE1-CG1 4.41Å; Y111-I120 HydrophobicContact CE2-CD1 3.87Å; Y111-I120 HydrophobicContact CE2-CG1 3.48Å; Y111-I120 VanDerWaalsContact CE2-CG1 3.48Å; Y111-I120 HydrophobicContact CG-CD1 3.74Å; Y111-I120 HydrophobicContact CG-CG1 4.18Å; Y111-M137 HydrophobicContact CD1-CG 3.98Å; Y111-V138 HydrophobicContact CE1-CG2 4.06Å; Y111-K141 HydrophobicContact CD1-CG 3.85Å; Y111-K141 HydrophobicContact CE1-CB 4.11Å; Y111-K141 HydrophobicContact CE1-CG 3.67Å; Y111-K141 WeakPolarHBondContact O-CE 3.34Å; Y111-A174 HydrophobicContact CD2-CB 4.12Å; Y111-A174 HydrophobicContact CE2-CB 4.18Å; Y111-V175 HydrophobicContact CD2-CG2 4.03Å | ||
| 112 | H | 95.9 | Very high | 97.7 | Very high | 114 Ų | 114 | 36 Ų | 36 | 53% | 0.528 | 17% | 0.174 | S | C | . | . | trans | -113.2 | 76.8 | 172.2 | -61 | -46.3 | 0 | 0 | 0 | 109.4 | T109 F110 | T109-H112 PolarHBondContact O-NE2 3.17Å; F110-H112 PolarHBondContact O-N 2.93Å; F110-H112 VanDerWaalsContact O-N 3.12Å | ||
| 113 | P | 97.1 | Very high | 97.6 | Very high | 28 Ų | 28 | 36 Ų | 36 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | trans | -61.1 | 141.5 | -176.3 | 26.7 | -35.2 | 0 | 0 | 0 | 111 | Y111 R117 K141 Y143 | Y111-P113 VanDerWaalsContact C-CD 3.46Å; Y111-P113 HydrophobicContact CD1-CG 4.41Å; Y111-P113 HydrophobicContact CE1-CB 4.39Å; Y111-P113 HydrophobicContact CE1-CG 3.88Å; Y111-P113 HydrophobicContact CE2-CB 3.87Å; Y111-P113 HydrophobicContact CE2-CG 4.18Å; Y111-P113 VanDerWaalsContact O-CD 3.28Å; Y111-P113 WeakPolarHBondContact O-CD 3.31Å; P113-R117 WeakPolarHBondContact CA-O 3.34Å; P113-K141 HydrophobicContact CG-CB 4.04Å; P113-K141 HydrophobicContact CG-CD 4.49Å; P113-K141 HydrophobicContact CG-CG 4.11Å; P113-Y143 HydrophobicContact CB-CD2 4.46Å; P113-Y143 HydrophobicContact CB-CE2 3.6Å; P113-Y143 HydrophobicContact CG-CD2 4.28Å; P113-Y143 HydrophobicContact CG-CE2 3.54Å | ||
| 114 | T | 96.7 | Very high | 97.3 | Very high | 75 Ų | 75 | 39.7 Ų | 39.7 | 46% | 0.46 | 19% | 0.194 | S | C | . | . | trans | -116 | 176.7 | 173.4 | 64.7 | 0 | 0 | 0 | 0 | 109.3 | D116 R117 Y118 Y143 | T114-D116 PolarHBondContact O-N 3.38Å; T114-R117 PolarHBondContact N-O 3.3Å; T114-R117 PolarHBondContact OG1-N 3.32Å; T114-R117 PolarHBondContact OG1-O 2.98Å; T114-Y118 WeakPolarHBondContact O-CB 3.37Å; T114-Y143 PolarHBondContact O-OH 2.87Å | ||
| 115 | K | 94.6 | Very high | 97 | Very high | 185 Ų | 185 | 38.7 Ų | 38.7 | 80% | 0.804 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -58 | -38.1 | 176 | -172.6 | -178.7 | 175.5 | -172.5 | 0 | 112.7 | ||
| 116 | D | 96.3 | Very high | 96.5 | Very high | 125 Ų | 125 | 39.7 Ų | 39.7 | 67% | 0.668 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -99.5 | -23.3 | -172.4 | -53.9 | -46.1 | 0 | 0 | 0 | 112.7 | T114 D172 | T114-D116 PolarHBondContact O-N 3.38Å; D116-D172 VanDerWaalsContact O-CA 3.23Å; D116-D172 WeakPolarHBondContact O-CA 3.3Å; D116-D172 WeakPolarHBondContact O-CB 3.14Å |
| 117 | R | 97.7 | Very high | 96.2 | Very high | 68 Ų | 68 | 43.3 Ų | 43.3 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | trans | -132.4 | 96.8 | -177.8 | -173.7 | -178.1 | -64.6 | -98.4 | 2.6 | 110.6 | P113 T114 D171 D172 V173 A174 R201 | P113-R117 WeakPolarHBondContact CA-O 3.34Å; T114-R117 PolarHBondContact N-O 3.3Å; T114-R117 PolarHBondContact OG1-N 3.32Å; T114-R117 PolarHBondContact OG1-O 2.98Å; R117-D171 PolarHBondContact NE-O 3.29Å; R117-D171 PolarHBondContact NH1-O 2.75Å; R117-D171 PolarHBondContact NH2-O 2.64Å; R117-D172 CarbonylContact C-O 3.53Å; R117-D172 WeakPolarHBondContact CA-O 3.39Å; R117-V173 WeakPolarHBondContact CD-O 3.06Å; R117-V173 VanDerWaalsContact CG-O 3.31Å; R117-V173 WeakPolarHBondContact CG-O 3.33Å; R117-V173 PolarHBondContact NH1-O 3.12Å; R117-A174 HydrophobicContact CG-CB 3.89Å; R117-R201 PolarHBondContact NH1-O 3.22Å; R117-R201 PolarHBondContact NH2-O 2.99Å | ||
| 118 | Y | 98.2 | Very high | 95.7 | Very high | 36 Ų | 36 | 45.8 Ų | 45.8 | 14% | 0.141 | 23% | 0.227 | C | C | . | . | trans | -141.2 | -3.8 | -171.2 | 63 | -83.4 | 0 | 0 | 0 | 114.1 | Y111 T114 Y143 E147 A148 D172 | Y111-Y118 WeakPolarHBondContact CE2-O 3.45Å; Y111-Y118 VanDerWaalsContact CZ-O 3.29Å; Y111-Y118 PolarHBondContact OH-O 3.47Å; T114-Y118 WeakPolarHBondContact O-CB 3.37Å; Y118-Y143 AromaticContact CD2-CD1 3.72Å; Y118-Y143 HydrophobicContact CD2-CD1 3.72Å; Y118-Y143 AromaticContact CD2-CE1 3.61Å; Y118-Y143 HydrophobicContact CD2-CE1 3.61Å; Y118-Y143 HydrophobicContact CE2-CD1 4.27Å; Y118-Y143 HydrophobicContact CE2-CE1 4.33Å; Y118-Y143 HydrophobicContact CG-CD1 4.33Å; Y118-Y143 AromaticContact CG-CE1 3.76Å; Y118-Y143 HydrophobicContact CG-CE1 3.76Å; Y118-E147 HydrophobicContact CE2-CG 3.91Å; Y118-E147 WeakPolarHBondContact CE2-OE1 2.82Å; Y118-E147 PolarHBondContact OH-OE1 2.73Å; Y118-A148 HydrophobicContact CD2-CB 3.89Å; Y118-A148 HydrophobicContact CE2-CB 4.26Å; Y118-D172 PolarHBondContact N-O 2.76Å | ||
| 119 | K | 98.6 | Very high | 95.5 | Very high | 41 Ų | 41 | 46.9 Ų | 46.9 | 18% | 0.178 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 144.1 | -176.2 | -62.4 | -174 | -178.5 | 164.2 | 0 | 112.2 | E147 A148 K150 D172 V173 A174 V175 | K119-E147 VanDerWaalsContact CE-O 3.3Å; K119-E147 WeakPolarHBondContact CE-O 3.3Å; K119-A148 CarbonylContact C-O 3.58Å; K119-A148 WeakPolarHBondContact CA-O 3.37Å; K119-K150 HydrophobicContact CB-CB 4.46Å; K119-K150 HydrophobicContact CD-CB 4.35Å; K119-D172 HydrophobicContact CD-CB 4.42Å; K119-D172 VanDerWaalsContact CD-OD2 3.31Å; K119-D172 WeakPolarHBondContact CD-OD2 3.36Å; K119-D172 WeakPolarHBondContact CE-OD2 3.41Å; K119-D172 PolarHBondContact N-O 3.2Å; K119-D172 IonicContact NZ-OD2 3.18Å; K119-D172 PolarHBondContact NZ-OD2 2.71Å; K119-V173 HydrophobicContact CB-CG2 4.44Å; K119-A174 PolarHBondContact O-N 2.81Å; K119-V175 PolarHBondContact O-N 3.47Å |
| 120 | I | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 124.6 | 164.5 | -54.7 | -176.2 | 0 | 0 | 0 | 107.7 | L107 Y111 V122 V134 V138 A148 K150 V175 | L107-I120 HydrophobicContact CD2-CD1 4.32Å; Y111-I120 HydrophobicContact CD1-CD1 3.86Å; Y111-I120 HydrophobicContact CD2-CD1 3.74Å; Y111-I120 HydrophobicContact CD2-CG1 3.64Å; Y111-I120 HydrophobicContact CE1-CD1 3.97Å; Y111-I120 HydrophobicContact CE1-CG1 4.41Å; Y111-I120 HydrophobicContact CE2-CD1 3.87Å; Y111-I120 HydrophobicContact CE2-CG1 3.48Å; Y111-I120 VanDerWaalsContact CE2-CG1 3.48Å; Y111-I120 HydrophobicContact CG-CD1 3.74Å; Y111-I120 HydrophobicContact CG-CG1 4.18Å; I120-V122 HydrophobicContact CG2-CG1 4.21Å; I120-V134 HydrophobicContact CB-CG1 4Å; I120-V134 HydrophobicContact CD1-CG1 4.11Å; I120-V134 HydrophobicContact CG2-CG1 3.79Å; I120-V134 HydrophobicContact CG2-CG2 4.24Å; I120-V138 HydrophobicContact CD1-CG2 3.86Å; I120-V138 HydrophobicContact CG1-CG2 4.25Å; I120-A148 PolarHBondContact N-O 3.46Å; I120-K150 PolarHBondContact O-N 2.85Å; I120-V175 CarbonylContact C-O 3.47Å; I120-V175 VanDerWaalsContact CA-O 3.28Å; I120-V175 WeakPolarHBondContact CA-O 3.49Å; I120-V175 HydrophobicContact CG1-CB 4.4Å; I120-V175 HydrophobicContact CG2-CB 4.41Å |
| 121 | L | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 127.7 | 177 | -170.1 | 61.9 | 0 | 0 | 0 | 110.3 | K150 I152 V165 A168 M169 V173 V175 I176 L177 | L121-K150 WeakPolarHBondContact CA-O 3.44Å; L121-K150 HydrophobicContact CD1-CB 3.8Å; L121-K150 HydrophobicContact CD1-CD 3.88Å; L121-K150 HydrophobicContact CD1-CG 3.67Å; L121-K150 WeakPolarHBondContact CD1-O 3.3Å; L121-I152 HydrophobicContact CD1-CD1 3.68Å; L121-I152 HydrophobicContact CD1-CG1 3.95Å; L121-I152 HydrophobicContact CG-CD1 4.46Å; L121-I152 HydrophobicContact CG-CG1 4.37Å; L121-V165 HydrophobicContact CD2-CG1 4.35Å; L121-A168 HydrophobicContact CD1-CB 4.01Å; L121-A168 HydrophobicContact CD2-CB 4.16Å; L121-M169 HydrophobicContact CD2-CG 4.28Å; L121-V173 HydrophobicContact CB-CG1 3.83Å; L121-V175 PolarHBondContact N-O 2.55Å; L121-I176 HydrophobicContact CB-CB 4.43Å; L121-I176 HydrophobicContact CB-CG1 3.98Å; L121-I176 HydrophobicContact CB-CG2 4.36Å; L121-I176 HydrophobicContact CD2-CD1 4.1Å; L121-I176 HydrophobicContact CD2-CG1 4.24Å; L121-I176 WeakPolarHBondContact O-CA 3.5Å; L121-L177 PolarHBondContact O-N 3.22Å |
| 122 | V | 98.1 | Very high | 95.1 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.024 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 165.6 | 175.8 | -59.4 | 0 | 0 | 0 | 0 | 109.8 | I120 V134 V149 K150 V151 I152 L177 | I120-V122 HydrophobicContact CG2-CG1 4.21Å; V122-V134 HydrophobicContact CG1-CG1 4.23Å; V122-V134 HydrophobicContact CG1-CG2 4.05Å; V122-V149 HydrophobicContact CG2-CG1 3.84Å; V122-K150 PolarHBondContact N-O 3.49Å; V122-V151 HydrophobicContact CG2-CG2 4.18Å; V122-V151 CarbonylContact O-C 3.41Å; V122-V151 WeakPolarHBondContact O-CA 3.42Å; V122-I152 PolarHBondContact O-N 2.84Å; V122-L177 HydrophobicContact CG1-CB 4.46Å |
| 123 | D | 95.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 166.6 | 167.4 | 68 | -73.2 | 0 | 0 | 0 | 112.2 | L125 N126 I152 I160 L178 P179 | D123-L125 VanDerWaalsContact OD2-C 3.25Å; D123-L125 WeakPolarHBondContact OD2-CA 3.45Å; D123-L125 WeakPolarHBondContact OD2-CB 3.3Å; D123-L125 PolarHBondContact OD2-N 3.1Å; D123-N126 WeakPolarHBondContact OD1-CB 3.17Å; D123-N126 PolarHBondContact OD2-N 3.1Å; D123-I152 CarbonylContact C-O 3.47Å; D123-I152 WeakPolarHBondContact CA-O 3.5Å; D123-I160 HydrophobicContact CB-CD1 3.96Å; D123-I160 HydrophobicContact CB-CG1 3.81Å; D123-L178 HydrophobicContact CB-CD2 4.08Å; D123-P179 WeakPolarHBondContact OD1-CD 3.49Å |
| 124 | D | 92.6 | Very high | 95.2 | Very high | 76 Ų | 76 | 48.5 Ų | 48.5 | 41% | 0.406 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -92.9 | 0.9 | 176.6 | 70.9 | -16.6 | 0 | 0 | 0 | 114.8 | V151 I152 R153 S154 | D124-V151 HydrophobicContact CB-CG1 3.66Å; D124-I152 PolarHBondContact N-O 2.93Å; D124-R153 WeakPolarHBondContact OD2-CA 3.37Å; D124-S154 PolarHBondContact OD1-N 2.67Å |
| 125 | L | 92 | Very high | 95.2 | Very high | 32 Ų | 32 | 46 Ų | 46 | 17% | 0.168 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -103.4 | -4.7 | 178.2 | -60 | -174.9 | 0 | 0 | 0 | 113.2 | D123 G157 E158 L182 Y183 | D123-L125 VanDerWaalsContact OD2-C 3.25Å; D123-L125 WeakPolarHBondContact OD2-CA 3.45Å; D123-L125 WeakPolarHBondContact OD2-CB 3.3Å; D123-L125 PolarHBondContact OD2-N 3.1Å; L125-G157 WeakPolarHBondContact CD2-O 3.22Å; L125-E158 VanDerWaalsContact CD1-C 3.45Å; L125-L182 HydrophobicContact CB-CD1 4.41Å; L125-L182 HydrophobicContact CB-CD2 3.89Å; L125-L182 HydrophobicContact CD1-CD1 3.99Å; L125-Y183 WeakPolarHBondContact O-CE1 3.48Å |
| 126 | N | 88 | Confident | 95.4 | Very high | 21 Ų | 21 | 38.8 Ų | 38.8 | 11% | 0.112 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -64.9 | 162.5 | -176.3 | -153.5 | -6.1 | 0 | 0 | 0 | 111.6 | D123 P179 | D123-N126 WeakPolarHBondContact OD1-CB 3.17Å; D123-N126 PolarHBondContact OD2-N 3.1Å; N126-P179 HydrophobicContact CB-CG 4.39Å; N126-P179 WeakPolarHBondContact OD1-CB 3.33Å |
| 127 | F | 90.7 | Very high | 95.4 | Very high | 77 Ų | 77 | 33.4 Ų | 33.4 | 34% | 0.338 | 16% | 0.159 | S | C | . | . | trans | -64.2 | 140 | 178.4 | -162.1 | -98.9 | 0 | 0 | 0 | 110.5 | T129 D130 Y183 | F127-T129 HydrophobicContact CD1-CG2 3.86Å; F127-T129 HydrophobicContact CE1-CG2 4.35Å; F127-T129 PolarHBondContact O-N 2.71Å; F127-T129 VanDerWaalsContact O-N 3.07Å; F127-D130 WeakPolarHBondContact O-CB 3.32Å; F127-D130 PolarHBondContact O-N 3.29Å; F127-D130 VanDerWaalsContact O-N 3.14Å; F127-Y183 HydrophobicContact CB-CD1 4.35Å; F127-Y183 HydrophobicContact CD2-CD1 4.02Å; F127-Y183 HydrophobicContact CD2-CD2 4.19Å; F127-Y183 HydrophobicContact CD2-CE1 4.18Å; F127-Y183 HydrophobicContact CD2-CE2 4.33Å; F127-Y183 HydrophobicContact CD2-CG 4.02Å | ||
| 128 | P | 89 | Confident | 95.4 | Very high | 51 Ų | 51 | 30.1 Ų | 30.1 | 33% | 0.331 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -56.4 | -33.4 | -171.2 | -30 | 35.5 | 0 | 0 | 0 | 115.1 | D130 R131 Y132 | P128-D130 VanDerWaalsContact C-N 3.32Å; P128-D130 PolarHBondContact O-N 3.21Å; P128-R131 WeakPolarHBondContact O-CB 3.41Å; P128-R131 PolarHBondContact O-N 3.17Å; P128-Y132 HydrophobicContact CB-CD2 4.44Å; P128-Y132 HydrophobicContact CB-CE1 4.45Å; P128-Y132 HydrophobicContact CB-CE2 3.72Å; P128-Y132 WeakPolarHBondContact O-CD1 2.87Å; P128-Y132 VanDerWaalsContact O-CD2 3.24Å; P128-Y132 WeakPolarHBondContact O-CD2 3.44Å; P128-Y132 PolarHBondContact O-N 3.37Å |
| 129 | T | 92.2 | Very high | 95.3 | Very high | 34 Ų | 34 | 33.9 Ų | 33.9 | 21% | 0.209 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.2 | -32.1 | -177.5 | -159.6 | 0 | 0 | 0 | 0 | 113.4 | T100 F127 R131 Y132 A133 | T100-T129 WeakPolarHBondContact CG2-OG1 3.45Å; T100-T129 WeakPolarHBondContact OG1-CG2 3.49Å; T100-T129 PolarHBondContact OG1-OG1 2.91Å; F127-T129 HydrophobicContact CD1-CG2 3.86Å; F127-T129 HydrophobicContact CE1-CG2 4.35Å; F127-T129 PolarHBondContact O-N 2.71Å; F127-T129 VanDerWaalsContact O-N 3.07Å; T129-R131 VanDerWaalsContact C-N 3.34Å; T129-Y132 PolarHBondContact O-N 2.91Å; T129-A133 WeakPolarHBondContact O-CB 3.46Å; T129-A133 PolarHBondContact O-N 3.48Å |
| 130 | D | 96.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.011 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.7 | -45.8 | 176.4 | -62.5 | -116.6 | 0 | 0 | 0 | 109.4 | I103 F127 P128 A133 V134 D208 | I103-D130 HydrophobicContact CD1-CB 4.12Å; I103-D130 WeakPolarHBondContact CD1-OD1 3.25Å; F127-D130 WeakPolarHBondContact O-CB 3.32Å; F127-D130 PolarHBondContact O-N 3.29Å; F127-D130 VanDerWaalsContact O-N 3.14Å; P128-D130 VanDerWaalsContact C-N 3.32Å; P128-D130 PolarHBondContact O-N 3.21Å; D130-A133 PolarHBondContact O-N 2.95Å; D130-V134 WeakPolarHBondContact O-CG2 3.36Å; D130-V134 PolarHBondContact O-N 3.39Å; D130-D208 WeakPolarHBondContact OD1-CB 3.15Å |
| 131 | R | 94.6 | Very high | 95.1 | Very high | 57 Ų | 57 | 41.9 Ų | 41.9 | 22% | 0.215 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.5 | -48.6 | 175.2 | 179.4 | 65 | -162.7 | -169.9 | 9.9 | 111.7 | P128 T129 A133 V134 D135 V149 | P128-R131 WeakPolarHBondContact O-CB 3.41Å; P128-R131 PolarHBondContact O-N 3.17Å; T129-R131 VanDerWaalsContact C-N 3.34Å; R131-A133 VanDerWaalsContact C-N 3.29Å; R131-A133 PolarHBondContact O-N 3.33Å; R131-V134 PolarHBondContact O-N 2.97Å; R131-D135 IonicContact CZ-OD1 2.64Å; R131-D135 IonicContact CZ-OD2 2.68Å; R131-D135 IonicContact NE-OD1 2.68Å; R131-D135 PolarHBondContact NE-OD1 3.46Å; R131-D135 IonicContact NE-OD2 3.88Å; R131-D135 PolarHBondContact NE-OD2 3.48Å; R131-D135 IonicContact NH1-OD1 3.69Å; R131-D135 IonicContact NH2-OD1 3.46Å; R131-D135 PolarHBondContact NH2-OD1 3.2Å; R131-D135 IonicContact NH2-OD2 3.33Å; R131-D135 WeakPolarHBondContact O-CB 3.45Å; R131-D135 VanDerWaalsContact O-CG 3.29Å; R131-D135 PolarHBondContact O-N 3.05Å; R131-V149 VanDerWaalsContact CZ-CG1 3.44Å |
| 132 | Y | 95.5 | Very high | 94.9 | Very high | 128 Ų | 128 | 45.2 Ų | 45.2 | 50% | 0.502 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.1 | -36.7 | 179.2 | -57 | -26.1 | 0 | 0 | 0 | 112.4 | P128 T129 S136 | P128-Y132 HydrophobicContact CB-CD2 4.44Å; P128-Y132 HydrophobicContact CB-CE1 4.45Å; P128-Y132 HydrophobicContact CB-CE2 3.72Å; P128-Y132 WeakPolarHBondContact O-CD1 2.87Å; P128-Y132 VanDerWaalsContact O-CD2 3.24Å; P128-Y132 WeakPolarHBondContact O-CD2 3.44Å; P128-Y132 PolarHBondContact O-N 3.37Å; T129-Y132 PolarHBondContact O-N 2.91Å; Y132-S136 WeakPolarHBondContact O-CB 3.46Å; Y132-S136 PolarHBondContact O-N 2.91Å; Y132-S136 PolarHBondContact O-OG 2.85Å |
| 133 | A | 97.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.4 | -38.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T100 I103 T129 D130 R131 S136 M137 | T100-A133 HydrophobicContact CG2-CB 4.27Å; I103-A133 HydrophobicContact CB-CB 4.12Å; I103-A133 HydrophobicContact CG2-CB 3.59Å; T129-A133 WeakPolarHBondContact O-CB 3.46Å; T129-A133 PolarHBondContact O-N 3.48Å; D130-A133 PolarHBondContact O-N 2.95Å; R131-A133 VanDerWaalsContact C-N 3.29Å; R131-A133 PolarHBondContact O-N 3.33Å; A133-S136 PolarHBondContact O-OG 3.29Å; A133-M137 WeakPolarHBondContact O-CB 3.32Å; A133-M137 PolarHBondContact O-N 2.65Å |
| 134 | V | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.6 | -51.4 | 173.4 | 167.6 | 0 | 0 | 0 | 0 | 111.1 | L107 I120 V122 D130 R131 S136 M137 V138 V149 L177 | L107-V134 HydrophobicContact CD1-CB 4.45Å; L107-V134 HydrophobicContact CD1-CG2 3.78Å; I120-V134 HydrophobicContact CB-CG1 4Å; I120-V134 HydrophobicContact CD1-CG1 4.11Å; I120-V134 HydrophobicContact CG2-CG1 3.79Å; I120-V134 HydrophobicContact CG2-CG2 4.24Å; V122-V134 HydrophobicContact CG1-CG1 4.23Å; V122-V134 HydrophobicContact CG1-CG2 4.05Å; D130-V134 WeakPolarHBondContact O-CG2 3.36Å; D130-V134 PolarHBondContact O-N 3.39Å; R131-V134 PolarHBondContact O-N 2.97Å; V134-S136 PolarHBondContact O-N 2.98Å; V134-M137 PolarHBondContact O-N 2.96Å; V134-V138 PolarHBondContact O-N 2.87Å; V134-V149 HydrophobicContact CG1-CG1 3.74Å; V134-V149 HydrophobicContact CG1-CG2 3.97Å; V134-L177 HydrophobicContact CG2-CD2 3.89Å |
| 135 | D | 97.3 | Very high | 95 | Very high | 23 Ų | 23 | 48 Ų | 48 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.8 | -50.8 | -177.1 | -73.7 | -15.8 | 0 | 0 | 0 | 111.3 | R131 M137 V138 E139 I145 | R131-D135 IonicContact CZ-OD1 2.64Å; R131-D135 IonicContact CZ-OD2 2.68Å; R131-D135 IonicContact NE-OD1 2.68Å; R131-D135 PolarHBondContact NE-OD1 3.46Å; R131-D135 IonicContact NE-OD2 3.88Å; R131-D135 PolarHBondContact NE-OD2 3.48Å; R131-D135 IonicContact NH1-OD1 3.69Å; R131-D135 IonicContact NH2-OD1 3.46Å; R131-D135 PolarHBondContact NH2-OD1 3.2Å; R131-D135 IonicContact NH2-OD2 3.33Å; R131-D135 WeakPolarHBondContact O-CB 3.45Å; R131-D135 VanDerWaalsContact O-CG 3.29Å; R131-D135 PolarHBondContact O-N 3.05Å; D135-M137 VanDerWaalsContact C-N 3.33Å; D135-M137 PolarHBondContact O-N 3.26Å; D135-V138 WeakPolarHBondContact O-CB 3.32Å; D135-V138 PolarHBondContact O-N 3.48Å; D135-E139 WeakPolarHBondContact O-CG 3.25Å; D135-E139 PolarHBondContact O-N 3.47Å; D135-I145 HydrophobicContact CB-CD1 3.84Å; D135-I145 HydrophobicContact CB-CG1 4.11Å; D135-I145 WeakPolarHBondContact OD1-CG2 3.26Å |
| 136 | S | 97.5 | Very high | 95.1 | Very high | 34 Ų | 34 | 54.2 Ų | 54.2 | 24% | 0.238 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.9 | -32.5 | 178.9 | 54.7 | 0 | 0 | 0 | 0 | 113.1 | H104 Y132 A133 V134 I140 | H104-S136 PolarHBondContact CE1-OG 2.94Å; H104-S136 VanDerWaalsContact CE1-OG 3.28Å; Y132-S136 WeakPolarHBondContact O-CB 3.46Å; Y132-S136 PolarHBondContact O-N 2.91Å; Y132-S136 PolarHBondContact O-OG 2.85Å; A133-S136 PolarHBondContact O-OG 3.29Å; V134-S136 PolarHBondContact O-N 2.98Å; S136-I140 WeakPolarHBondContact O-CB 3.4Å; S136-I140 WeakPolarHBondContact O-CD1 3.4Å; S136-I140 WeakPolarHBondContact O-CG1 3.29Å; S136-I140 PolarHBondContact O-N 2.67Å |
| 137 | M | 97.3 | Very high | 95.5 | Very high | 11 Ų | 11 | 57.6 Ų | 57.6 | 5% | 0.054 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.3 | -39.4 | 174.2 | -172.6 | 61.9 | 60.9 | 0 | 0 | 111.7 | H104 L107 A108 Y111 A133 V134 D135 I140 K141 | H104-M137 HydrophobicContact CB-CE 4.43Å; H104-M137 WeakPolarHBondContact O-CE 3.2Å; L107-M137 HydrophobicContact CB-CB 4.46Å; L107-M137 HydrophobicContact CB-CE 4.24Å; L107-M137 HydrophobicContact CB-CG 3.94Å; L107-M137 HydrophobicContact CD1-CB 4.25Å; A108-M137 HydrophobicContact CB-CE 3.98Å; Y111-M137 HydrophobicContact CD1-CG 3.98Å; A133-M137 WeakPolarHBondContact O-CB 3.32Å; A133-M137 PolarHBondContact O-N 2.65Å; V134-M137 PolarHBondContact O-N 2.96Å; D135-M137 VanDerWaalsContact C-N 3.33Å; D135-M137 PolarHBondContact O-N 3.26Å; M137-I140 PolarHBondContact O-N 3.3Å; M137-K141 WeakPolarHBondContact O-CG 3.43Å; M137-K141 PolarHBondContact O-N 2.87Å; M137-K141 VanDerWaalsContact O-N 3.14Å |
| 138 | V | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62 | -46.6 | 175.3 | 162.9 | 0 | 0 | 0 | 0 | 111.2 | Y111 I120 V134 D135 I140 K141 G142 Y143 A148 V149 | Y111-V138 HydrophobicContact CE1-CG2 4.06Å; I120-V138 HydrophobicContact CD1-CG2 3.86Å; I120-V138 HydrophobicContact CG1-CG2 4.25Å; V134-V138 PolarHBondContact O-N 2.87Å; D135-V138 WeakPolarHBondContact O-CB 3.32Å; D135-V138 PolarHBondContact O-N 3.48Å; V138-I140 PolarHBondContact O-N 3.23Å; V138-K141 PolarHBondContact O-N 2.72Å; V138-K141 VanDerWaalsContact O-N 3.1Å; V138-G142 PolarHBondContact O-N 3.35Å; V138-Y143 PolarHBondContact O-N 3.34Å; V138-A148 HydrophobicContact CG1-CB 3.47Å; V138-A148 VanDerWaalsContact CG1-CB 3.47Å; V138-A148 HydrophobicContact CG2-CB 4.24Å; V138-V149 HydrophobicContact CB-CG2 4.12Å; V138-V149 HydrophobicContact CG1-CG2 4.19Å; V138-V149 HydrophobicContact CG2-CG2 3.71Å |
| 139 | E | 97.2 | Very high | 96.2 | Very high | 114 Ų | 114 | 52 Ų | 52 | 53% | 0.533 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 176.5 | -69.4 | -178.3 | 136.8 | 0 | 0 | 112.1 | D135 K141 G142 I145 | D135-E139 WeakPolarHBondContact O-CG 3.25Å; D135-E139 PolarHBondContact O-N 3.47Å; E139-K141 PolarHBondContact O-N 3.42Å; E139-G142 WeakPolarHBondContact O-CA 3.09Å; E139-G142 PolarHBondContact O-N 2.85Å; E139-I145 HydrophobicContact CG-CD1 4.18Å; E139-I145 HydrophobicContact CG-CG1 3.92Å |
| 140 | I | 96.1 | Very high | 96.5 | Very high | 127 Ų | 127 | 53 Ų | 53 | 65% | 0.651 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -59.5 | -31.8 | 175 | -74 | 166.4 | 0 | 0 | 0 | 111.6 | S136 M137 V138 G142 | S136-I140 WeakPolarHBondContact O-CB 3.4Å; S136-I140 WeakPolarHBondContact O-CD1 3.4Å; S136-I140 WeakPolarHBondContact O-CG1 3.29Å; S136-I140 PolarHBondContact O-N 2.67Å; M137-I140 PolarHBondContact O-N 3.3Å; V138-I140 PolarHBondContact O-N 3.23Å; I140-G142 VanDerWaalsContact C-N 3.26Å; I140-G142 PolarHBondContact O-N 2.82Å |
| 141 | K | 95.6 | Very high | 96.5 | Very high | 83 Ų | 83 | 55.4 Ų | 55.4 | 36% | 0.361 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -0.6 | 175.1 | -63.9 | -60.4 | -174.7 | -176.8 | 0 | 113.6 | Y111 P113 M137 V138 E139 Y143 | Y111-K141 HydrophobicContact CD1-CG 3.85Å; Y111-K141 HydrophobicContact CE1-CB 4.11Å; Y111-K141 HydrophobicContact CE1-CG 3.67Å; Y111-K141 WeakPolarHBondContact O-CE 3.34Å; P113-K141 HydrophobicContact CG-CB 4.04Å; P113-K141 HydrophobicContact CG-CD 4.49Å; P113-K141 HydrophobicContact CG-CG 4.11Å; M137-K141 WeakPolarHBondContact O-CG 3.43Å; M137-K141 PolarHBondContact O-N 2.87Å; M137-K141 VanDerWaalsContact O-N 3.14Å; V138-K141 PolarHBondContact O-N 2.72Å; V138-K141 VanDerWaalsContact O-N 3.1Å; E139-K141 PolarHBondContact O-N 3.42Å; K141-Y143 HydrophobicContact CB-CD2 3.99Å; K141-Y143 HydrophobicContact CB-CE2 4.35Å |
| 142 | G | 96 | Very high | 96.5 | Very high | 69 Ų | 69 | 53.4 Ų | 53.4 | 71% | 0.711 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | 15.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115 | V138 E139 I140 | V138-G142 PolarHBondContact O-N 3.35Å; E139-G142 WeakPolarHBondContact O-CA 3.09Å; E139-G142 PolarHBondContact O-N 2.85Å; I140-G142 VanDerWaalsContact C-N 3.26Å; I140-G142 PolarHBondContact O-N 2.82Å |
| 143 | Y | 96.3 | Very high | 96.4 | Very high | 53 Ų | 53 | 57 Ų | 57 | 21% | 0.208 | 29% | 0.291 | C | S | . | . | trans | -98.9 | 153.4 | 173.6 | -67.3 | -93.1 | 0 | 0 | 0 | 110.2 | P113 T114 Y118 V138 K141 A148 | P113-Y143 HydrophobicContact CB-CD2 4.46Å; P113-Y143 HydrophobicContact CB-CE2 3.6Å; P113-Y143 HydrophobicContact CG-CD2 4.28Å; P113-Y143 HydrophobicContact CG-CE2 3.54Å; T114-Y143 PolarHBondContact O-OH 2.87Å; Y118-Y143 AromaticContact CD2-CD1 3.72Å; Y118-Y143 HydrophobicContact CD2-CD1 3.72Å; Y118-Y143 AromaticContact CD2-CE1 3.61Å; Y118-Y143 HydrophobicContact CD2-CE1 3.61Å; Y118-Y143 HydrophobicContact CE2-CD1 4.27Å; Y118-Y143 HydrophobicContact CE2-CE1 4.33Å; Y118-Y143 HydrophobicContact CG-CD1 4.33Å; Y118-Y143 AromaticContact CG-CE1 3.76Å; Y118-Y143 HydrophobicContact CG-CE1 3.76Å; V138-Y143 PolarHBondContact O-N 3.34Å; K141-Y143 HydrophobicContact CB-CD2 3.99Å; K141-Y143 HydrophobicContact CB-CE2 4.35Å; Y143-A148 HydrophobicContact CD1-CB 4.24Å; Y143-A148 HydrophobicContact CG-CB 4.02Å | ||
| 144 | S | 96.1 | Very high | 96.1 | Very high | 53 Ų | 53 | 57.8 Ų | 57.8 | 37% | 0.371 | 30% | 0.297 | S | S | . | . | trans | -78.7 | 150.3 | 168 | 68.2 | 0 | 0 | 0 | 0 | 110.9 | E146 E147 A148 | S144-E146 VanDerWaalsContact C-N 3.3Å; S144-E146 PolarHBondContact O-N 3.08Å; S144-E147 PolarHBondContact O-N 3.3Å; S144-E147 VanDerWaalsContact OG-CB 3.28Å; S144-E147 WeakPolarHBondContact OG-CB 3.48Å; S144-E147 PolarHBondContact OG-N 3Å; S144-A148 PolarHBondContact O-N 3.3Å | ||
| 145 | I | 95.6 | Very high | 95.6 | Very high | 38 Ų | 38 | 62.7 Ų | 62.7 | 20% | 0.195 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.4 | -43.1 | -179.7 | -64.9 | 169 | 0 | 0 | 0 | 110.7 | D135 E139 E147 V149 | D135-I145 HydrophobicContact CB-CD1 3.84Å; D135-I145 HydrophobicContact CB-CG1 4.11Å; D135-I145 WeakPolarHBondContact OD1-CG2 3.26Å; E139-I145 HydrophobicContact CG-CD1 4.18Å; E139-I145 HydrophobicContact CG-CG1 3.92Å; I145-E147 PolarHBondContact O-N 3.23Å; I145-V149 HydrophobicContact CG2-CB 4.35Å; I145-V149 HydrophobicContact CG2-CG2 4.07Å; I145-V149 WeakPolarHBondContact O-CB 3.37Å; I145-V149 PolarHBondContact O-N 3.23Å |
| 146 | E | 94.5 | Very high | 95.1 | Very high | 163 Ų | 163 | 66.2 Ų | 66.2 | 76% | 0.762 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.9 | -28.8 | -178.5 | -61.4 | 76.9 | -167.5 | 0 | 0 | 113 | S144 | S144-E146 VanDerWaalsContact C-N 3.3Å; S144-E146 PolarHBondContact O-N 3.08Å |
| 147 | E | 94.7 | Very high | 94.6 | Very high | 92 Ų | 92 | 66.1 Ų | 66.1 | 43% | 0.43 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -85.4 | -44.9 | -178.3 | -165.3 | -161.7 | 152.1 | 0 | 0 | 111.8 | Y118 K119 S144 I145 | Y118-E147 HydrophobicContact CE2-CG 3.91Å; Y118-E147 WeakPolarHBondContact CE2-OE1 2.82Å; Y118-E147 PolarHBondContact OH-OE1 2.73Å; K119-E147 VanDerWaalsContact CE-O 3.3Å; K119-E147 WeakPolarHBondContact CE-O 3.3Å; S144-E147 PolarHBondContact O-N 3.3Å; S144-E147 VanDerWaalsContact OG-CB 3.28Å; S144-E147 WeakPolarHBondContact OG-CB 3.48Å; S144-E147 PolarHBondContact OG-N 3Å; I145-E147 PolarHBondContact O-N 3.23Å |
| 148 | A | 97.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -102.7 | -13.5 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y118 K119 I120 V138 Y143 S144 | Y118-A148 HydrophobicContact CD2-CB 3.89Å; Y118-A148 HydrophobicContact CE2-CB 4.26Å; K119-A148 CarbonylContact C-O 3.58Å; K119-A148 WeakPolarHBondContact CA-O 3.37Å; I120-A148 PolarHBondContact N-O 3.46Å; V138-A148 HydrophobicContact CG1-CB 3.47Å; V138-A148 VanDerWaalsContact CG1-CB 3.47Å; V138-A148 HydrophobicContact CG2-CB 4.24Å; Y143-A148 HydrophobicContact CD1-CB 4.24Å; Y143-A148 HydrophobicContact CG-CB 4.02Å; S144-A148 PolarHBondContact O-N 3.3Å |
| 149 | V | 97.8 | Very high | 94 | Very high | 10 Ų | 10 | 70.3 Ų | 70.3 | 6% | 0.061 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 106.2 | 173.9 | -162.6 | 0 | 0 | 0 | 0 | 110.5 | V122 R131 V134 V138 I145 V151 | V122-V149 HydrophobicContact CG2-CG1 3.84Å; R131-V149 VanDerWaalsContact CZ-CG1 3.44Å; V134-V149 HydrophobicContact CG1-CG1 3.74Å; V134-V149 HydrophobicContact CG1-CG2 3.97Å; V138-V149 HydrophobicContact CB-CG2 4.12Å; V138-V149 HydrophobicContact CG1-CG2 4.19Å; V138-V149 HydrophobicContact CG2-CG2 3.71Å; I145-V149 HydrophobicContact CG2-CB 4.35Å; I145-V149 HydrophobicContact CG2-CG2 4.07Å; I145-V149 WeakPolarHBondContact O-CB 3.37Å; I145-V149 PolarHBondContact O-N 3.23Å; V149-V151 HydrophobicContact CG1-CG2 4.42Å |
| 150 | K | 97.8 | Very high | 94 | Very high | 54 Ų | 54 | 65.2 Ų | 65.2 | 24% | 0.235 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 122.5 | 177.8 | -169.9 | 175.3 | -175 | -174.1 | 0 | 108.8 | K119 I120 L121 V122 A168 T170 V173 | K119-K150 HydrophobicContact CB-CB 4.46Å; K119-K150 HydrophobicContact CD-CB 4.35Å; I120-K150 PolarHBondContact O-N 2.85Å; L121-K150 WeakPolarHBondContact CA-O 3.44Å; L121-K150 HydrophobicContact CD1-CB 3.8Å; L121-K150 HydrophobicContact CD1-CD 3.88Å; L121-K150 HydrophobicContact CD1-CG 3.67Å; L121-K150 WeakPolarHBondContact CD1-O 3.3Å; V122-K150 PolarHBondContact N-O 3.49Å; K150-A168 PolarHBondContact NZ-O 3.3Å; K150-T170 PolarHBondContact NZ-OG1 2.66Å; K150-V173 HydrophobicContact CD-CG2 4.24Å |
| 151 | V | 96.6 | Very high | 94 | Very high | 54 Ų | 54 | 62.8 Ų | 62.8 | 33% | 0.327 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 123 | -172.9 | -170.4 | 0 | 0 | 0 | 0 | 110.6 | V122 D124 V149 | V122-V151 HydrophobicContact CG2-CG2 4.18Å; V122-V151 CarbonylContact O-C 3.41Å; V122-V151 WeakPolarHBondContact O-CA 3.42Å; D124-V151 HydrophobicContact CB-CG1 3.66Å; V149-V151 HydrophobicContact CG1-CG2 4.42Å |
| 152 | I | 94.6 | Very high | 94 | Very high | 15 Ų | 15 | 60.7 Ų | 60.7 | 8% | 0.077 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 118.2 | 168.1 | -50.9 | -54.1 | 0 | 0 | 0 | 107.9 | L121 V122 D123 D124 A164 V165 A168 | L121-I152 HydrophobicContact CD1-CD1 3.68Å; L121-I152 HydrophobicContact CD1-CG1 3.95Å; L121-I152 HydrophobicContact CG-CD1 4.46Å; L121-I152 HydrophobicContact CG-CG1 4.37Å; V122-I152 PolarHBondContact O-N 2.84Å; D123-I152 CarbonylContact C-O 3.47Å; D123-I152 WeakPolarHBondContact CA-O 3.5Å; D124-I152 PolarHBondContact N-O 2.93Å; I152-A164 HydrophobicContact CG2-CB 4.05Å; I152-V165 HydrophobicContact CB-CG2 4.48Å; I152-V165 HydrophobicContact CG1-CG2 4.04Å; I152-V165 HydrophobicContact CG2-CG2 4.23Å; I152-A168 HydrophobicContact CD1-CB 3.2Å; I152-A168 HydrophobicContact CG1-CB 4.5Å |
| 153 | R | 92.7 | Very high | 94.1 | Very high | 203 Ų | 203 | 61.8 Ų | 61.8 | 77% | 0.766 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -88.7 | 128.2 | 175.8 | -65.5 | -171.1 | -179.9 | 162.8 | 3 | 110.1 | D124 A155 | D124-R153 WeakPolarHBondContact OD2-CA 3.37Å; R153-A155 PolarHBondContact O-N 3.43Å |
| 154 | S | 91.5 | Very high | 94.1 | Very high | 18 Ų | 18 | 60.6 Ų | 60.6 | 13% | 0.126 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 132.3 | 168.5 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | D124 D156 G157 E158 F159 | D124-S154 PolarHBondContact OD1-N 2.67Å; S154-D156 PolarHBondContact OG-OD1 2.91Å; S154-G157 WeakPolarHBondContact OG-CA 3.46Å; S154-G157 PolarHBondContact OG-N 3.44Å; S154-E158 PolarHBondContact OG-N 3.1Å; S154-F159 VanDerWaalsContact CB-O 3.26Å; S154-F159 WeakPolarHBondContact CB-O 3.16Å; S154-F159 PolarHBondContact OG-O 2.82Å |
| 155 | A | 87.4 | Confident | 94.2 | Very high | 102 Ų | 102 | 58 Ų | 58 | 84% | 0.843 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -72.3 | -31.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | R153 | R153-A155 PolarHBondContact O-N 3.43Š|
| 156 | D | 88.3 | Confident | 94.3 | Very high | 97 Ų | 97 | 57.2 Ų | 57.2 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -105.4 | -12.4 | 179.8 | 54.4 | 25.3 | 0 | 0 | 0 | 113.5 | S154 E158 F159 | S154-D156 PolarHBondContact OG-OD1 2.91Å; D156-E158 VanDerWaalsContact C-N 3.29Å; D156-E158 WeakPolarHBondContact OD1-CA 3.5Å; D156-E158 PolarHBondContact OD1-N 3.37Å; D156-F159 PolarHBondContact OD1-N 3.18Å; D156-F159 WeakPolarHBondContact OD2-CD2 3.34Å |
| 157 | G | 86.5 | Confident | 94.5 | Very high | 32 Ų | 32 | 57.2 Ų | 57.2 | 33% | 0.33 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 78.3 | 11.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L125 S154 R184 | L125-G157 WeakPolarHBondContact CD2-O 3.22Å; S154-G157 WeakPolarHBondContact OG-CA 3.46Å; S154-G157 PolarHBondContact OG-N 3.44Å; G157-R184 PolarHBondContact O-NH1 2.81Å |
| 158 | E | 87.1 | Confident | 94.6 | Very high | 49 Ų | 49 | 53.3 Ų | 53.3 | 23% | 0.229 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -124.2 | -37.8 | -174.6 | -58.3 | -165.2 | 155.9 | 0 | 0 | 113.1 | L125 S154 D156 S185 Q356 | L125-E158 VanDerWaalsContact CD1-C 3.45Å; S154-E158 PolarHBondContact OG-N 3.1Å; D156-E158 VanDerWaalsContact C-N 3.29Å; D156-E158 WeakPolarHBondContact OD1-CA 3.5Å; D156-E158 PolarHBondContact OD1-N 3.37Å; E158-S185 WeakPolarHBondContact O-CB 3.31Å; E158-S185 PolarHBondContact O-OG 2.99Å; E158-Q356 PolarHBondContact OE1-NE2 3.39Å |
| 159 | F | 94.8 | Very high | 94.6 | Very high | 50 Ų | 50 | 53.6 Ų | 53.6 | 22% | 0.219 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -124.5 | 146 | -175.2 | -58.1 | -78.5 | 0 | 0 | 0 | 112.3 | S154 D156 Q187 | S154-F159 VanDerWaalsContact CB-O 3.26Å; S154-F159 WeakPolarHBondContact CB-O 3.16Å; S154-F159 PolarHBondContact OG-O 2.82Å; D156-F159 PolarHBondContact OD1-N 3.18Å; D156-F159 WeakPolarHBondContact OD2-CD2 3.34Å; F159-Q187 VanDerWaalsContact CA-OE1 3.29Å; F159-Q187 HydrophobicContact CD1-CB 3.97Å; F159-Q187 HydrophobicContact CD1-CG 4.1Å; F159-Q187 HydrophobicContact CE1-CB 4.45Å |
| 160 | I | 96.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 55.5 Ų | 55.5 | 4% | 0.036 | 30% | 0.3 | C | S | . | . | trans | -77.3 | 125.6 | 166 | -69.4 | 161.3 | 0 | 0 | 0 | 108.1 | D123 V165 P179 L182 Q187 I189 | D123-I160 HydrophobicContact CB-CD1 3.96Å; D123-I160 HydrophobicContact CB-CG1 3.81Å; I160-V165 HydrophobicContact CG2-CG2 3.67Å; I160-P179 HydrophobicContact CD1-CG 3.92Å; I160-L182 HydrophobicContact CD1-CD1 3.98Å; I160-L182 HydrophobicContact CD1-CD2 3.62Å; I160-L182 HydrophobicContact CD1-CG 3.8Å; I160-L182 HydrophobicContact CG1-CD1 3.93Å; I160-L182 HydrophobicContact CG1-CD2 4.23Å; I160-L182 HydrophobicContact CG1-CG 4.32Å; I160-Q187 PolarHBondContact O-NE2 3.07Å; I160-I189 HydrophobicContact CB-CG2 4.47Å; I160-I189 HydrophobicContact CD1-CG2 4.28Å | ||
| 161 | D | 95.9 | Very high | 94.6 | Very high | 76 Ų | 76 | 58.8 Ų | 58.8 | 41% | 0.406 | 32% | 0.321 | S | S | . | . | trans | -84.5 | 109.1 | 169.7 | -178 | -14.2 | 0 | 0 | 0 | 109.9 | D163 A164 V165 | D161-D163 VanDerWaalsContact C-N 3.31Å; D161-D163 PolarHBondContact O-N 3.18Å; D161-D163 WeakPolarHBondContact OD1-CB 3.38Å; D161-D163 PolarHBondContact OD1-N 3.47Å; D161-A164 HydrophobicContact CB-CB 3.87Å; D161-A164 PolarHBondContact O-N 2.64Å; D161-A164 PolarHBondContact OD1-N 3.22Å; D161-V165 WeakPolarHBondContact O-CG2 3.17Å; D161-V165 PolarHBondContact O-N 3.13Å | ||
| 162 | E | 96.6 | Very high | 94.7 | Very high | 40 Ų | 40 | 58 Ų | 58 | 19% | 0.187 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.3 | -30.8 | -178.6 | -58.7 | 177.5 | 139.2 | 0 | 0 | 113.1 | V165 I166 I189 D190 R193 L194 | E162-V165 PolarHBondContact O-N 3Å; E162-I166 WeakPolarHBondContact O-CD1 3.5Å; E162-I166 VanDerWaalsContact O-CG1 3.29Å; E162-I166 WeakPolarHBondContact O-CG1 3.44Å; E162-I166 PolarHBondContact O-N 3.04Å; E162-I189 WeakPolarHBondContact OE1-CA 3.26Å; E162-D190 WeakPolarHBondContact OE1-CB 3.43Å; E162-D190 PolarHBondContact OE1-N 2.86Å; E162-R193 IonicContact OE2-NH1 2.97Å; E162-L194 HydrophobicContact CB-CD2 4.44Å |
| 163 | D | 97.3 | Very high | 94.9 | Very high | 91 Ų | 91 | 57.2 Ų | 57.2 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.3 | -41 | 176.8 | -69.2 | -15.3 | 0 | 0 | 0 | 109.8 | D161 V165 I166 E167 R193 | D161-D163 VanDerWaalsContact C-N 3.31Å; D161-D163 PolarHBondContact O-N 3.18Å; D161-D163 WeakPolarHBondContact OD1-CB 3.38Å; D161-D163 PolarHBondContact OD1-N 3.47Å; D163-V165 VanDerWaalsContact C-N 3.34Å; D163-V165 PolarHBondContact O-N 3.47Å; D163-I166 PolarHBondContact O-N 2.97Å; D163-E167 WeakPolarHBondContact O-CB 3.29Å; D163-E167 PolarHBondContact O-N 2.52Å; D163-R193 IonicContact OD1-CZ 3.86Å; D163-R193 IonicContact OD1-NH1 2.7Å; D163-R193 PolarHBondContact OD1-NH1 2.95Å; D163-R193 IonicContact OD1-NH2 3.98Å; D163-R193 PolarHBondContact OD1-NH2 2.79Å |
| 164 | A | 96.9 | Very high | 95.2 | Very high | 28 Ų | 28 | 48.1 Ų | 48.1 | 23% | 0.231 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -37.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I152 D161 A168 | I152-A164 HydrophobicContact CG2-CB 4.05Å; D161-A164 HydrophobicContact CB-CB 3.87Å; D161-A164 PolarHBondContact O-N 2.64Å; D161-A164 PolarHBondContact OD1-N 3.22Å; A164-A168 VanDerWaalsContact O-CB 3.32Å; A164-A168 WeakPolarHBondContact O-CB 3.43Å; A164-A168 PolarHBondContact O-N 3.27Å; A164-A168 VanDerWaalsContact O-N 3.09Å |
| 165 | V | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.2 | -47.7 | 172.1 | 175 | 0 | 0 | 0 | 0 | 110.4 | L121 I152 I160 D161 E162 D163 A168 M169 L178 L194 | L121-V165 HydrophobicContact CD2-CG1 4.35Å; I152-V165 HydrophobicContact CB-CG2 4.48Å; I152-V165 HydrophobicContact CG1-CG2 4.04Å; I152-V165 HydrophobicContact CG2-CG2 4.23Å; I160-V165 HydrophobicContact CG2-CG2 3.67Å; D161-V165 WeakPolarHBondContact O-CG2 3.17Å; D161-V165 PolarHBondContact O-N 3.13Å; E162-V165 PolarHBondContact O-N 3Å; D163-V165 VanDerWaalsContact C-N 3.34Å; D163-V165 PolarHBondContact O-N 3.47Å; V165-A168 PolarHBondContact O-N 3.39Å; V165-M169 HydrophobicContact CG1-CE 3.94Å; V165-M169 WeakPolarHBondContact O-CG 3.3Å; V165-M169 PolarHBondContact O-N 3.38Å; V165-L178 HydrophobicContact CG1-CD1 3.78Å; V165-L194 HydrophobicContact CB-CD2 4.13Å; V165-L194 HydrophobicContact CG1-CD2 3.77Å |
| 166 | I | 98.2 | Very high | 96 | Very high | 21 Ų | 21 | 42.4 Ų | 42.4 | 11% | 0.108 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.8 | -43.5 | -179.9 | -67.8 | 162.6 | 0 | 0 | 0 | 111.5 | E162 D163 A168 M169 R193 L194 E197 | E162-I166 WeakPolarHBondContact O-CD1 3.5Å; E162-I166 VanDerWaalsContact O-CG1 3.29Å; E162-I166 WeakPolarHBondContact O-CG1 3.44Å; E162-I166 PolarHBondContact O-N 3.04Å; D163-I166 PolarHBondContact O-N 2.97Å; I166-A168 PolarHBondContact O-N 3.31Å; I166-M169 HydrophobicContact CG1-CE 4.22Å; I166-M169 WeakPolarHBondContact O-CB 3.41Å; I166-M169 PolarHBondContact O-N 3.28Å; I166-M169 VanDerWaalsContact O-N 3.08Å; I166-R193 HydrophobicContact CD1-CG 4.22Å; I166-L194 HydrophobicContact CD1-CD2 4.29Å; I166-L194 HydrophobicContact CG1-CD2 3.87Å; I166-E197 HydrophobicContact CD1-CG 4.04Å; I166-E197 HydrophobicContact CG1-CB 4.21Å; I166-E197 HydrophobicContact CG1-CG 4.08Å; I166-E197 HydrophobicContact CG2-CB 4.33Å; I166-E197 HydrophobicContact CG2-CG 4.08Å |
| 167 | E | 97.6 | Very high | 96.5 | Very high | 162 Ų | 162 | 37.8 Ų | 37.8 | 76% | 0.757 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -58.9 | -35.9 | 176.3 | -176.2 | 177.9 | 178.7 | 0 | 0 | 111.5 | D163 M169 | D163-E167 WeakPolarHBondContact O-CB 3.29Å; D163-E167 PolarHBondContact O-N 2.52Å; E167-M169 VanDerWaalsContact C-N 3.3Å; E167-M169 PolarHBondContact O-N 3.1Å |
| 168 | A | 97.9 | Very high | 97.1 | Very high | 10 Ų | 10 | 36.3 Ų | 36.3 | 8% | 0.083 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L121 K150 I152 A164 V165 I166 T170 | L121-A168 HydrophobicContact CD1-CB 4.01Å; L121-A168 HydrophobicContact CD2-CB 4.16Å; K150-A168 PolarHBondContact NZ-O 3.3Å; I152-A168 HydrophobicContact CD1-CB 3.2Å; I152-A168 HydrophobicContact CG1-CB 4.5Å; A164-A168 VanDerWaalsContact O-CB 3.32Å; A164-A168 WeakPolarHBondContact O-CB 3.43Å; A164-A168 PolarHBondContact O-N 3.27Å; A164-A168 VanDerWaalsContact O-N 3.09Å; V165-A168 PolarHBondContact O-N 3.39Å; I166-A168 PolarHBondContact O-N 3.31Å; A168-T170 PolarHBondContact O-N 3.29Å; A168-T170 PolarHBondContact O-OG1 3.12Å |
| 169 | M | 98.3 | Very high | 97.6 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 3% | 0.03 | 18% | 0.183 | C | C | . | . | trans | -72.9 | 69.1 | 170.7 | -61.2 | -172.3 | -171 | 0 | 0 | 110.4 | L121 V165 I166 E167 I176 L194 E197 A198 R201 I203 | L121-M169 HydrophobicContact CD2-CG 4.28Å; V165-M169 HydrophobicContact CG1-CE 3.94Å; V165-M169 WeakPolarHBondContact O-CG 3.3Å; V165-M169 PolarHBondContact O-N 3.38Å; I166-M169 HydrophobicContact CG1-CE 4.22Å; I166-M169 WeakPolarHBondContact O-CB 3.41Å; I166-M169 PolarHBondContact O-N 3.28Å; I166-M169 VanDerWaalsContact O-N 3.08Å; E167-M169 VanDerWaalsContact C-N 3.3Å; E167-M169 PolarHBondContact O-N 3.1Å; M169-I176 HydrophobicContact CE-CD1 3.71Å; M169-I176 HydrophobicContact CG-CD1 3.78Å; M169-I176 HydrophobicContact SD-CD1 3.88Å; M169-L194 HydrophobicContact CE-CB 4.44Å; M169-L194 HydrophobicContact CE-CD2 3.99Å; M169-E197 HydrophobicContact CE-CB 4.35Å; M169-E197 HydrophobicContact SD-CB 3.9Å; M169-A198 HydrophobicContact CE-CB 4.39Å; M169-A198 HydrophobicContact SD-CB 4.05Å; M169-R201 WeakPolarHBondContact O-CD 3.3Å; M169-R201 PolarHBondContact O-NE 2.86Å; M169-I203 HydrophobicContact CB-CD1 3.72Å; M169-I203 HydrophobicContact CG-CD1 4.3Å | ||
| 170 | T | 97.9 | Very high | 97.8 | Very high | 51 Ų | 51 | 31.8 Ų | 31.8 | 31% | 0.313 | 17% | 0.172 | S | C | . | . | trans | -85.3 | 163.7 | 178.2 | 43.8 | 0 | 0 | 0 | 0 | 111.3 | K150 A168 D172 V173 | K150-T170 PolarHBondContact NZ-OG1 2.66Å; A168-T170 PolarHBondContact O-N 3.29Å; A168-T170 PolarHBondContact O-OG1 3.12Å; T170-D172 VanDerWaalsContact CB-OD1 3.29Å; T170-D172 WeakPolarHBondContact CB-OD1 3.12Å; T170-D172 PolarHBondContact O-N 2.85Å; T170-D172 PolarHBondContact OG1-OD1 3.02Å; T170-V173 WeakPolarHBondContact O-CB 3.48Å; T170-V173 PolarHBondContact O-N 2.81Å | ||
| 171 | D | 97.3 | Very high | 97.8 | Very high | 123 Ų | 123 | 31.6 Ų | 31.6 | 66% | 0.658 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -19.4 | -175.8 | -70 | -26.5 | 0 | 0 | 0 | 114.2 | R117 | R117-D171 PolarHBondContact NE-O 3.29Å; R117-D171 PolarHBondContact NH1-O 2.75Å; R117-D171 PolarHBondContact NH2-O 2.64Å |
| 172 | D | 98.1 | Very high | 97.8 | Very high | 36 Ų | 36 | 28.1 Ų | 28.1 | 19% | 0.193 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -8.1 | 177.6 | 62.2 | -5.1 | 0 | 0 | 0 | 114.5 | D116 R117 Y118 K119 T170 | D116-D172 VanDerWaalsContact O-CA 3.23Å; D116-D172 WeakPolarHBondContact O-CA 3.3Å; D116-D172 WeakPolarHBondContact O-CB 3.14Å; R117-D172 CarbonylContact C-O 3.53Å; R117-D172 WeakPolarHBondContact CA-O 3.39Å; Y118-D172 PolarHBondContact N-O 2.76Å; K119-D172 HydrophobicContact CD-CB 4.42Å; K119-D172 VanDerWaalsContact CD-OD2 3.31Å; K119-D172 WeakPolarHBondContact CD-OD2 3.36Å; K119-D172 WeakPolarHBondContact CE-OD2 3.41Å; K119-D172 PolarHBondContact N-O 3.2Å; K119-D172 IonicContact NZ-OD2 3.18Å; K119-D172 PolarHBondContact NZ-OD2 2.71Å; T170-D172 VanDerWaalsContact CB-OD1 3.29Å; T170-D172 WeakPolarHBondContact CB-OD1 3.12Å; T170-D172 PolarHBondContact O-N 2.85Å; T170-D172 PolarHBondContact OG1-OD1 3.02Å |
| 173 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 121.7 | 178 | -178.7 | 0 | 0 | 0 | 0 | 110.4 | R117 K119 L121 K150 T170 I176 I203 | R117-V173 WeakPolarHBondContact CD-O 3.06Å; R117-V173 VanDerWaalsContact CG-O 3.31Å; R117-V173 WeakPolarHBondContact CG-O 3.33Å; R117-V173 PolarHBondContact NH1-O 3.12Å; K119-V173 HydrophobicContact CB-CG2 4.44Å; L121-V173 HydrophobicContact CB-CG1 3.83Å; K150-V173 HydrophobicContact CD-CG2 4.24Å; T170-V173 WeakPolarHBondContact O-CB 3.48Å; T170-V173 PolarHBondContact O-N 2.81Å; V173-I176 HydrophobicContact CG1-CG1 4.01Å; V173-I203 HydrophobicContact CB-CD1 4.12Å; V173-I203 HydrophobicContact CG1-CD1 4.33Å; V173-I203 HydrophobicContact CG1-CG2 3.82Å |
| 174 | A | 98.5 | Very high | 97.4 | Very high | 11 Ų | 11 | 26 Ų | 26 | 9% | 0.091 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -45.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y111 R117 K119 I204 | Y111-A174 HydrophobicContact CD2-CB 4.12Å; Y111-A174 HydrophobicContact CE2-CB 4.18Å; R117-A174 HydrophobicContact CG-CB 3.89Å; K119-A174 PolarHBondContact O-N 2.81Å; A174-I204 PolarHBondContact O-N 2.89Å; A174-I204 VanDerWaalsContact O-N 3.16Å |
| 175 | V | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 144.1 | -173 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | L107 F110 Y111 K119 I120 L121 I204 F227 | L107-V175 HydrophobicContact CD2-CG1 3.96Å; F110-V175 HydrophobicContact CB-CG2 4.49Å; Y111-V175 HydrophobicContact CD2-CG2 4.03Å; K119-V175 PolarHBondContact O-N 3.47Å; I120-V175 CarbonylContact C-O 3.47Å; I120-V175 VanDerWaalsContact CA-O 3.28Å; I120-V175 WeakPolarHBondContact CA-O 3.49Å; I120-V175 HydrophobicContact CG1-CB 4.4Å; I120-V175 HydrophobicContact CG2-CB 4.41Å; L121-V175 PolarHBondContact N-O 2.55Å; V175-I204 CarbonylContact C-O 3.5Å; V175-I204 WeakPolarHBondContact CA-O 3.44Å; V175-I204 HydrophobicContact CG2-CB 4.27Å; V175-F227 HydrophobicContact CG1-CE1 4.14Å; V175-F227 HydrophobicContact CG1-CZ 4.33Å |
| 176 | I | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 133.4 | 170.3 | -52.3 | -178.6 | 0 | 0 | 0 | 108 | L121 M169 V173 L178 A198 I203 I204 I205 G206 | L121-I176 HydrophobicContact CB-CB 4.43Å; L121-I176 HydrophobicContact CB-CG1 3.98Å; L121-I176 HydrophobicContact CB-CG2 4.36Å; L121-I176 HydrophobicContact CD2-CD1 4.1Å; L121-I176 HydrophobicContact CD2-CG1 4.24Å; L121-I176 WeakPolarHBondContact O-CA 3.5Å; M169-I176 HydrophobicContact CE-CD1 3.71Å; M169-I176 HydrophobicContact CG-CD1 3.78Å; M169-I176 HydrophobicContact SD-CD1 3.88Å; V173-I176 HydrophobicContact CG1-CG1 4.01Å; I176-L178 HydrophobicContact CG2-CD1 3.65Å; I176-L178 HydrophobicContact CG2-CG 3.75Å; I176-A198 HydrophobicContact CD1-CB 4Å; I176-I203 HydrophobicContact CD1-CG2 3.87Å; I176-I203 HydrophobicContact CG1-CG2 3.6Å; I176-I204 PolarHBondContact N-O 2.95Å; I176-I205 HydrophobicContact CB-CB 4.27Å; I176-I205 HydrophobicContact CB-CD1 4.28Å; I176-I205 HydrophobicContact CB-CG1 3.98Å; I176-I205 HydrophobicContact CD1-CD1 4.37Å; I176-I205 HydrophobicContact CG2-CD1 4.17Å; I176-I205 HydrophobicContact CG2-CG1 4.2Å; I176-G206 PolarHBondContact O-N 2.88Å |
| 177 | L | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 115.4 | 171.2 | 178.7 | 63.1 | 0 | 0 | 0 | 109.4 | I103 L121 V122 V134 G206 F227 | I103-L177 HydrophobicContact CG2-CD2 3.71Å; L121-L177 PolarHBondContact O-N 3.22Å; V122-L177 HydrophobicContact CG1-CB 4.46Å; V134-L177 HydrophobicContact CG2-CD2 3.89Å; L177-G206 WeakPolarHBondContact CA-O 3.22Å; L177-F227 HydrophobicContact CD1-CE2 4.01Å; L177-F227 HydrophobicContact CD1-CZ 4.25Å |
| 178 | L | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 150.6 | -177.3 | -66.7 | 167.7 | 0 | 0 | 0 | 111.2 | D123 V165 I176 I189 L194 G206 F207 D208 | D123-L178 HydrophobicContact CB-CD2 4.08Å; V165-L178 HydrophobicContact CG1-CD1 3.78Å; I176-L178 HydrophobicContact CG2-CD1 3.65Å; I176-L178 HydrophobicContact CG2-CG 3.75Å; L178-I189 HydrophobicContact CB-CD1 3.85Å; L178-I189 HydrophobicContact CD1-CD1 4.44Å; L178-L194 HydrophobicContact CD1-CD1 4.02Å; L178-G206 PolarHBondContact N-O 3.32Å; L178-F207 HydrophobicContact CB-CD1 4.2Å; L178-F207 HydrophobicContact CB-CE1 4.3Å; L178-F207 CarbonylContact O-C 3.57Å; L178-F207 WeakPolarHBondContact O-CA 3.34Å; L178-D208 PolarHBondContact O-N 2.97Å |
| 179 | P | 97.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 18 Ų | 18 | 3% | 0.026 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 135.1 | 171.6 | 30.2 | -30.1 | 0 | 0 | 0 | 110.2 | D123 N126 I160 L182 I189 | D123-P179 WeakPolarHBondContact OD1-CD 3.49Å; N126-P179 HydrophobicContact CB-CG 4.39Å; N126-P179 WeakPolarHBondContact OD1-CB 3.33Å; I160-P179 HydrophobicContact CD1-CG 3.92Å; P179-L182 HydrophobicContact CG-CD2 3.62Å; P179-L182 HydrophobicContact CG-CG 4.41Å; P179-I189 WeakPolarHBondContact O-CD1 3.45Å; P179-I189 VanDerWaalsContact O-CG1 3.32Å; P179-I189 WeakPolarHBondContact O-CG1 3.35Å |
| 180 | T | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -69.6 | -37.7 | 174 | -64.2 | 0 | 0 | 0 | 0 | 112.4 | I188 I189 M191 F207 D208 L209 A212 I216 | T180-I188 WeakPolarHBondContact O-CA 3.09Å; T180-I189 PolarHBondContact O-N 3.23Å; T180-I189 VanDerWaalsContact O-N 3.1Å; T180-M191 HydrophobicContact CG2-CE 3.37Å; T180-M191 HydrophobicContact CG2-CG 4.04Å; T180-M191 HydrophobicContact CG2-SD 3.44Å; T180-M191 WeakPolarHBondContact CG2-SD 3.49Å; T180-M191 PolarHBondContact OG1-SD 3.04Å; T180-F207 WeakPolarHBondContact OG1-CB 3.46Å; T180-D208 PolarHBondContact N-O 3.31Å; T180-L209 HydrophobicContact CG2-CD2 4.43Å; T180-L209 WeakPolarHBondContact OG1-CD2 3.03Å; T180-A212 HydrophobicContact CG2-CB 3.56Å; T180-I216 HydrophobicContact CG2-CD1 3.97Å |
| 181 | V | 97.7 | Very high | 97.2 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 2% | 0.018 | 10% | 0.098 | C | C | . | . | B | Isolated β-bridge | trans | -126.1 | 119.1 | 172.8 | 174 | 0 | 0 | 0 | 0 | 108.3 | Y183 Q187 I188 H211 A212 I216 | V181-Y183 PolarHBondContact O-N 3.11Å; V181-Q187 CarbonylContact C-O 3.59Å; V181-Q187 WeakPolarHBondContact CA-O 3.28Å; V181-I188 HydrophobicContact CG2-CG1 3.94Å; V181-H211 HydrophobicContact CB-CB 3.83Å; V181-H211 HydrophobicContact CG1-CB 3.82Å; V181-A212 HydrophobicContact CB-CB 4.28Å; V181-A212 HydrophobicContact CG2-CB 3.71Å; V181-I216 HydrophobicContact CG2-CD1 4.01Å |
| 182 | L | 95.8 | Very high | 97.2 | Very high | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | trans | -61.6 | 127.6 | 174.1 | -83.4 | -179.4 | 0 | 0 | 0 | 110.3 | L125 I160 P179 R184 S185 A186 Q187 | L125-L182 HydrophobicContact CB-CD1 4.41Å; L125-L182 HydrophobicContact CB-CD2 3.89Å; L125-L182 HydrophobicContact CD1-CD1 3.99Å; I160-L182 HydrophobicContact CD1-CD1 3.98Å; I160-L182 HydrophobicContact CD1-CD2 3.62Å; I160-L182 HydrophobicContact CD1-CG 3.8Å; I160-L182 HydrophobicContact CG1-CD1 3.93Å; I160-L182 HydrophobicContact CG1-CD2 4.23Å; I160-L182 HydrophobicContact CG1-CG 4.32Å; P179-L182 HydrophobicContact CG-CD2 3.62Å; P179-L182 HydrophobicContact CG-CG 4.41Å; L182-R184 VanDerWaalsContact C-N 3.26Å; L182-R184 PolarHBondContact O-N 3.35Å; L182-S185 WeakPolarHBondContact CD1-OG 3.21Å; L182-A186 WeakPolarHBondContact O-CA 3.34Å; L182-A186 PolarHBondContact O-N 3.12Å; L182-Q187 HydrophobicContact CB-CB 4.16Å; L182-Q187 HydrophobicContact CD1-CB 4Å; L182-Q187 VanDerWaalsContact CD1-OE1 3.23Å; L182-Q187 HydrophobicContact CG-CB 4.33Å; L182-Q187 PolarHBondContact N-O 3.07Å | ||
| 183 | Y | 93 | Very high | 97.2 | Very high | 46 Ų | 46 | 19.5 Ų | 19.5 | 18% | 0.18 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -32.1 | -177.9 | 81.4 | -82.9 | 0 | 0 | 0 | 112.1 | L125 F127 V181 H211 H352 R377 R383 | L125-Y183 WeakPolarHBondContact O-CE1 3.48Å; F127-Y183 HydrophobicContact CB-CD1 4.35Å; F127-Y183 HydrophobicContact CD2-CD1 4.02Å; F127-Y183 HydrophobicContact CD2-CD2 4.19Å; F127-Y183 HydrophobicContact CD2-CE1 4.18Å; F127-Y183 HydrophobicContact CD2-CE2 4.33Å; F127-Y183 HydrophobicContact CD2-CG 4.02Å; V181-Y183 PolarHBondContact O-N 3.11Å; Y183-H211 WeakPolarHBondContact CB-CD2 3.41Å; Y183-H211 VanDerWaalsContact CB-NE2 3.32Å; Y183-H211 WeakPolarHBondContact CB-NE2 3.22Å; Y183-H352 PolarHBondContact O-NE2 3.44Å; Y183-R377 HydrophobicContact CE2-CG 4.26Å; Y183-R383 WeakPolarHBondContact O-CD 3.28Å; Y183-R383 PolarHBondContact O-NH1 3.08Å |
| 184 | R | 91.8 | Very high | 97.2 | Very high | 40 Ų | 40 | 19.5 Ų | 19.5 | 15% | 0.151 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -44.4 | -174.6 | -175.9 | 174.8 | 174.7 | -95.4 | -11.1 | 113.5 | G157 L182 C354 E378 | G157-R184 PolarHBondContact O-NH1 2.81Å; L182-R184 VanDerWaalsContact C-N 3.26Å; L182-R184 PolarHBondContact O-N 3.35Å; R184-C354 PolarHBondContact O-SG 2.85Å; R184-E378 PolarHBondContact NE-O 2.8Å; R184-E378 VanDerWaalsContact NE-O 3.14Å |
| 185 | S | 94.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.007 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 1.8 | -174.6 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | E158 L182 Q187 G341 N342 | E158-S185 WeakPolarHBondContact O-CB 3.31Å; E158-S185 PolarHBondContact O-OG 2.99Å; L182-S185 WeakPolarHBondContact CD1-OG 3.21Å; S185-Q187 PolarHBondContact O-N 2.85Å; S185-G341 WeakPolarHBondContact CA-O 3.01Å; S185-G341 WeakPolarHBondContact CB-O 3.29Å; S185-N342 WeakPolarHBondContact O-CA 3.5Å; S185-N342 WeakPolarHBondContact O-CB 3.28Å |
| 186 | A | 96.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | 55.6 | 14.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L182 I188 R349 G350 | L182-A186 WeakPolarHBondContact O-CA 3.34Å; L182-A186 PolarHBondContact O-N 3.12Å; A186-I188 PolarHBondContact O-N 2.83Å; A186-R349 HydrophobicContact CB-CG 4.18Å; A186-R349 CarbonylContact O-C 3.26Å; A186-R349 WeakPolarHBondContact O-CA 3.36Å; A186-G350 PolarHBondContact O-N 3.24Å | ||
| 187 | Q | 97.6 | Very high | 97.2 | Very high | 23 Ų | 23 | 25.2 Ų | 25.2 | 11% | 0.107 | 11% | 0.114 | C | C | . | . | B | Isolated β-bridge | trans | -59.3 | 127.8 | 179.8 | -174.9 | -173.2 | 4.5 | 0 | 0 | 110.5 | F159 I160 V181 L182 S185 V348 | F159-Q187 VanDerWaalsContact CA-OE1 3.29Å; F159-Q187 HydrophobicContact CD1-CB 3.97Å; F159-Q187 HydrophobicContact CD1-CG 4.1Å; F159-Q187 HydrophobicContact CE1-CB 4.45Å; I160-Q187 PolarHBondContact O-NE2 3.07Å; V181-Q187 CarbonylContact C-O 3.59Å; V181-Q187 WeakPolarHBondContact CA-O 3.28Å; L182-Q187 HydrophobicContact CB-CB 4.16Å; L182-Q187 HydrophobicContact CD1-CB 4Å; L182-Q187 VanDerWaalsContact CD1-OE1 3.23Å; L182-Q187 HydrophobicContact CG-CB 4.33Å; L182-Q187 PolarHBondContact N-O 3.07Å; S185-Q187 PolarHBondContact O-N 2.85Å; Q187-V348 CarbonylContact C-O 3.26Å; Q187-V348 WeakPolarHBondContact CA-O 3.32Å |
| 188 | I | 98 | Very high | 97.2 | Very high | 26 Ų | 26 | 25.2 Ų | 25.2 | 13% | 0.133 | 11% | 0.113 | C | C | . | . | B | Isolated β-bridge | trans | -88.4 | 124.6 | 166.4 | -56.3 | 167.5 | 0 | 0 | 0 | 107.6 | T180 V181 A186 I216 V348 R349 | T180-I188 WeakPolarHBondContact O-CA 3.09Å; V181-I188 HydrophobicContact CG2-CG1 3.94Å; A186-I188 PolarHBondContact O-N 2.83Å; I188-I216 HydrophobicContact CD1-CD1 4.41Å; I188-I216 HydrophobicContact CD1-CG2 3.86Å; I188-I216 HydrophobicContact CG1-CD1 4.36Å; I188-I216 HydrophobicContact CG1-CG2 4.37Å; I188-I216 HydrophobicContact CG2-CD1 3.96Å; I188-V348 PolarHBondContact N-O 2.9Å; I188-R349 VanDerWaalsContact CD1-C 3.44Å; I188-R349 VanDerWaalsContact CD1-O 3.25Å; I188-R349 WeakPolarHBondContact CD1-O 3.3Å |
| 189 | I | 97.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.015 | 13% | 0.127 | C | C | . | . | P | Polyproline II helix | trans | -87.3 | 147.9 | 170.3 | 63.1 | 170 | 0 | 0 | 0 | 111.1 | I160 E162 L178 P179 T180 M191 L194 F207 | I160-I189 HydrophobicContact CB-CG2 4.47Å; I160-I189 HydrophobicContact CD1-CG2 4.28Å; E162-I189 WeakPolarHBondContact OE1-CA 3.26Å; L178-I189 HydrophobicContact CB-CD1 3.85Å; L178-I189 HydrophobicContact CD1-CD1 4.44Å; P179-I189 WeakPolarHBondContact O-CD1 3.45Å; P179-I189 VanDerWaalsContact O-CG1 3.32Å; P179-I189 WeakPolarHBondContact O-CG1 3.35Å; T180-I189 PolarHBondContact O-N 3.23Å; T180-I189 VanDerWaalsContact O-N 3.1Å; I189-M191 VanDerWaalsContact C-N 3.29Å; I189-M191 HydrophobicContact CG1-CG 4.38Å; I189-M191 PolarHBondContact O-N 2.95Å; I189-L194 HydrophobicContact CB-CD1 4.24Å; I189-L194 HydrophobicContact CD1-CD1 3.84Å; I189-L194 HydrophobicContact CG1-CD1 4.39Å; I189-F207 HydrophobicContact CD1-CD1 3.93Å; I189-F207 HydrophobicContact CD1-CE1 3.71Å |
| 190 | D | 97.7 | Very high | 97.3 | Very high | 75 Ų | 75 | 34.6 Ų | 34.6 | 40% | 0.401 | 16% | 0.155 | S | C | . | . | trans | -74 | 80 | 173.6 | -170.2 | -17.7 | 0 | 0 | 0 | 110.1 | E162 K192 R193 L194 | E162-D190 WeakPolarHBondContact OE1-CB 3.43Å; E162-D190 PolarHBondContact OE1-N 2.86Å; D190-K192 PolarHBondContact O-N 3.29Å; D190-K192 VanDerWaalsContact O-N 3.17Å; D190-K192 PolarHBondContact OD1-N 3.32Å; D190-R193 HydrophobicContact CB-CB 3.97Å; D190-R193 PolarHBondContact O-N 2.84Å; D190-R193 PolarHBondContact OD1-N 2.72Å; D190-R193 WeakPolarHBondContact OD2-CB 3.43Å; D190-L194 WeakPolarHBondContact O-CG 3.29Å; D190-L194 PolarHBondContact O-N 3.06Å | ||
| 191 | M | 98.2 | Very high | 97.3 | Very high | 12 Ų | 12 | 38.5 Ų | 38.5 | 6% | 0.059 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -53.9 | -35 | 177.7 | -67.5 | -175.3 | -79.2 | 0 | 0 | 112.5 | T180 I189 T195 F207 L209 I218 F220 I223 | T180-M191 HydrophobicContact CG2-CE 3.37Å; T180-M191 HydrophobicContact CG2-CG 4.04Å; T180-M191 HydrophobicContact CG2-SD 3.44Å; T180-M191 WeakPolarHBondContact CG2-SD 3.49Å; T180-M191 PolarHBondContact OG1-SD 3.04Å; I189-M191 VanDerWaalsContact C-N 3.29Å; I189-M191 HydrophobicContact CG1-CG 4.38Å; I189-M191 PolarHBondContact O-N 2.95Å; M191-T195 WeakPolarHBondContact O-CB 3.46Å; M191-T195 PolarHBondContact O-N 3.39Å; M191-T195 PolarHBondContact O-OG1 2.81Å; M191-F207 HydrophobicContact CB-CE1 4.2Å; M191-F207 HydrophobicContact CB-CE2 4.06Å; M191-F207 HydrophobicContact CB-CZ 3.84Å; M191-F207 HydrophobicContact CG-CD1 3.92Å; M191-F207 HydrophobicContact CG-CD2 4.3Å; M191-F207 HydrophobicContact CG-CE1 3.79Å; M191-F207 HydrophobicContact CG-CE2 4.18Å; M191-F207 HydrophobicContact CG-CG 4.17Å; M191-F207 HydrophobicContact CG-CZ 3.93Å; M191-F207 HydrophobicContact SD-CB 4.46Å; M191-F207 HydrophobicContact SD-CD1 4.37Å; M191-F207 HydrophobicContact SD-CD2 4.2Å; M191-F207 HydrophobicContact SD-CG 4.09Å; M191-L209 HydrophobicContact SD-CD2 4.31Å; M191-I218 HydrophobicContact CE-CG1 4.42Å; M191-I218 HydrophobicContact CE-CG2 4.22Å; M191-F220 HydrophobicContact SD-CE1 4.28Å; M191-I223 HydrophobicContact CB-CD1 4.09Å; M191-I223 HydrophobicContact CB-CG1 4.45Å; M191-I223 HydrophobicContact CB-CG2 3.79Å; M191-I223 HydrophobicContact CE-CD1 3.66Å; M191-I223 HydrophobicContact SD-CD1 4.37Å |
| 192 | K | 98.4 | Very high | 97.3 | Very high | 71 Ų | 71 | 41 Ų | 41 | 31% | 0.309 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.4 | -53.4 | -178.2 | -177.3 | -177.8 | 176.5 | -178.6 | 0 | 109.7 | D190 L194 T195 E196 E222 I223 | D190-K192 PolarHBondContact O-N 3.29Å; D190-K192 VanDerWaalsContact O-N 3.17Å; D190-K192 PolarHBondContact OD1-N 3.32Å; K192-L194 VanDerWaalsContact C-N 3.33Å; K192-L194 PolarHBondContact O-N 2.68Å; K192-T195 PolarHBondContact O-N 3.09Å; K192-E196 WeakPolarHBondContact CE-OE1 3.46Å; K192-E196 WeakPolarHBondContact O-CG 2.99Å; K192-E196 PolarHBondContact O-N 2.93Å; K192-E222 HydrophobicContact CD-CG 4.12Å; K192-E222 WeakPolarHBondContact CE-OE1 3.19Å; K192-E222 IonicContact NZ-OE1 3.25Å; K192-E222 PolarHBondContact NZ-OE1 2.93Å; K192-I223 HydrophobicContact CB-CG1 4.13Å |
| 193 | R | 98.4 | Very high | 97.4 | Very high | 90 Ų | 90 | 41 Ų | 41 | 34% | 0.34 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -55.8 | -48.5 | 178.1 | -178.5 | -175.6 | -178.7 | -151.6 | -4.5 | 111.5 | E162 D163 I166 D190 T195 E196 E197 | E162-R193 IonicContact OE2-NH1 2.97Å; D163-R193 IonicContact OD1-CZ 3.86Å; D163-R193 IonicContact OD1-NH1 2.7Å; D163-R193 PolarHBondContact OD1-NH1 2.95Å; D163-R193 IonicContact OD1-NH2 3.98Å; D163-R193 PolarHBondContact OD1-NH2 2.79Å; I166-R193 HydrophobicContact CD1-CG 4.22Å; D190-R193 HydrophobicContact CB-CB 3.97Å; D190-R193 PolarHBondContact O-N 2.84Å; D190-R193 PolarHBondContact OD1-N 2.72Å; D190-R193 WeakPolarHBondContact OD2-CB 3.43Å; R193-T195 PolarHBondContact O-N 3.02Å; R193-E196 PolarHBondContact O-N 2.83Å; R193-E197 WeakPolarHBondContact O-CG 3.36Å; R193-E197 PolarHBondContact O-N 2.85Å; R193-E197 VanDerWaalsContact O-N 3.08Å |
| 194 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.3 | -38.3 | -179.7 | -66 | 173.4 | 0 | 0 | 0 | 112.2 | E162 V165 I166 M169 L178 I189 D190 K192 A198 I205 F207 | E162-L194 HydrophobicContact CB-CD2 4.44Å; V165-L194 HydrophobicContact CB-CD2 4.13Å; V165-L194 HydrophobicContact CG1-CD2 3.77Å; I166-L194 HydrophobicContact CD1-CD2 4.29Å; I166-L194 HydrophobicContact CG1-CD2 3.87Å; M169-L194 HydrophobicContact CE-CB 4.44Å; M169-L194 HydrophobicContact CE-CD2 3.99Å; L178-L194 HydrophobicContact CD1-CD1 4.02Å; I189-L194 HydrophobicContact CB-CD1 4.24Å; I189-L194 HydrophobicContact CD1-CD1 3.84Å; I189-L194 HydrophobicContact CG1-CD1 4.39Å; D190-L194 WeakPolarHBondContact O-CG 3.29Å; D190-L194 PolarHBondContact O-N 3.06Å; K192-L194 VanDerWaalsContact C-N 3.33Å; K192-L194 PolarHBondContact O-N 2.68Å; L194-A198 WeakPolarHBondContact O-CB 3.29Å; L194-A198 PolarHBondContact O-N 3.34Å; L194-I205 HydrophobicContact CB-CD1 4.1Å; L194-F207 HydrophobicContact CB-CZ 4.44Å |
| 195 | T | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.2 | -44.7 | 177.5 | -58.3 | 0 | 0 | 0 | 0 | 112 | M191 K192 R193 E197 A198 H199 I205 F207 I223 | M191-T195 WeakPolarHBondContact O-CB 3.46Å; M191-T195 PolarHBondContact O-N 3.39Å; M191-T195 PolarHBondContact O-OG1 2.81Å; K192-T195 PolarHBondContact O-N 3.09Å; R193-T195 PolarHBondContact O-N 3.02Å; T195-E197 PolarHBondContact O-N 2.95Å; T195-A198 PolarHBondContact O-N 3Å; T195-H199 WeakPolarHBondContact CG2-CE1 3.47Å; T195-H199 WeakPolarHBondContact O-CB 3.32Å; T195-H199 PolarHBondContact O-N 3.31Å; T195-I205 HydrophobicContact CG2-CG2 3.85Å; T195-F207 WeakPolarHBondContact OG1-CE2 3.29Å; T195-I223 WeakPolarHBondContact CG2-O 3.2Å |
| 196 | E | 98.6 | Very high | 98.2 | Very high | 91 Ų | 91 | 38.4 Ų | 38.4 | 43% | 0.425 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 176.6 | -72.2 | 178.4 | -178.7 | 0 | 0 | 111.8 | K192 R193 K200 | K192-E196 WeakPolarHBondContact CE-OE1 3.46Å; K192-E196 WeakPolarHBondContact O-CG 2.99Å; K192-E196 PolarHBondContact O-N 2.93Å; R193-E196 PolarHBondContact O-N 2.83Å; E196-K200 WeakPolarHBondContact O-CG 3.43Å; E196-K200 PolarHBondContact O-N 3.45Å |
| 197 | E | 98.7 | Very high | 98.3 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 18% | 0.182 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.4 | -39 | 177.5 | -71.1 | -58 | 128.2 | 0 | 0 | 112.9 | I166 M169 R193 T195 K200 R201 | I166-E197 HydrophobicContact CD1-CG 4.04Å; I166-E197 HydrophobicContact CG1-CB 4.21Å; I166-E197 HydrophobicContact CG1-CG 4.08Å; I166-E197 HydrophobicContact CG2-CB 4.33Å; I166-E197 HydrophobicContact CG2-CG 4.08Å; M169-E197 HydrophobicContact CE-CB 4.35Å; M169-E197 HydrophobicContact SD-CB 3.9Å; R193-E197 WeakPolarHBondContact O-CG 3.36Å; R193-E197 PolarHBondContact O-N 2.85Å; R193-E197 VanDerWaalsContact O-N 3.08Å; T195-E197 PolarHBondContact O-N 2.95Å; E197-K200 IonicContact OE1-NZ 2.67Å; E197-K200 PolarHBondContact OE1-NZ 3.26Å; E197-R201 PolarHBondContact O-NH1 3.25Å; E197-R201 IonicContact OE2-CZ 3.24Å; E197-R201 IonicContact OE2-NH1 3.97Å; E197-R201 PolarHBondContact OE2-NH1 3.42Å; E197-R201 IonicContact OE2-NH2 2.87Å; E197-R201 PolarHBondContact OE2-NH2 3.03Å |
| 198 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.1 | -46.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | M169 I176 L194 T195 K200 R201 G202 I203 I205 | M169-A198 HydrophobicContact CE-CB 4.39Å; M169-A198 HydrophobicContact SD-CB 4.05Å; I176-A198 HydrophobicContact CD1-CB 4Å; L194-A198 WeakPolarHBondContact O-CB 3.29Å; L194-A198 PolarHBondContact O-N 3.34Å; T195-A198 PolarHBondContact O-N 3Å; A198-K200 PolarHBondContact O-N 2.82Å; A198-R201 CarbonylContact O-C 3.56Å; A198-R201 PolarHBondContact O-N 3.07Å; A198-G202 PolarHBondContact O-N 3.22Å; A198-I203 HydrophobicContact CB-CB 4.21Å; A198-I203 PolarHBondContact O-N 3.24Å; A198-I205 HydrophobicContact CB-CB 3.95Å; A198-I205 HydrophobicContact CB-CD1 4.05Å; A198-I205 HydrophobicContact CB-CG2 4Å |
| 199 | H | 98.4 | Very high | 98.4 | Very high | 64 Ų | 64 | 36.6 Ų | 36.6 | 30% | 0.296 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.5 | -35.6 | -179.5 | -71.7 | 176.1 | 0 | 0 | 0 | 113.1 | T195 R201 G202 Q224 D226 K251 | T195-H199 WeakPolarHBondContact CG2-CE1 3.47Å; T195-H199 WeakPolarHBondContact O-CB 3.32Å; T195-H199 PolarHBondContact O-N 3.31Å; H199-R201 PolarHBondContact O-N 2.82Å; H199-R201 VanDerWaalsContact O-N 3.1Å; H199-G202 PolarHBondContact O-N 3.48Å; H199-Q224 PolarHBondContact CE1-O 2.75Å; H199-Q224 VanDerWaalsContact CE1-O 3.27Å; H199-D226 IonicContact CD2-OD2 2.71Å; H199-D226 IonicContact CE1-OD2 3.08Å; H199-D226 IonicContact NE2-OD1 2.87Å; H199-D226 IonicContact NE2-OD2 3.47Å; H199-D226 PolarHBondContact NE2-OD2 3.12Å; H199-K251 PolarHBondContact CE1-NZ 2.88Å; H199-K251 PolarHBondContact NE2-NZ 2.92Å |
| 200 | K | 98.3 | Very high | 98.4 | Very high | 139 Ų | 139 | 36.7 Ų | 36.7 | 60% | 0.604 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -55.3 | -26.6 | 171.6 | -75.7 | 168.2 | -163.5 | 172 | 0 | 112.7 | E196 E197 A198 | E196-K200 WeakPolarHBondContact O-CG 3.43Å; E196-K200 PolarHBondContact O-N 3.45Å; E197-K200 IonicContact OE1-NZ 2.67Å; E197-K200 PolarHBondContact OE1-NZ 3.26Å; A198-K200 PolarHBondContact O-N 2.82Å |
| 201 | R | 98.1 | Very high | 98.4 | Very high | 81 Ų | 81 | 33.5 Ų | 33.5 | 31% | 0.306 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 6.1 | -178.4 | -64.5 | 164 | 178.1 | 74.4 | -4.4 | 113.4 | R117 M169 E197 A198 H199 I203 | R117-R201 PolarHBondContact NH1-O 3.22Å; R117-R201 PolarHBondContact NH2-O 2.99Å; M169-R201 WeakPolarHBondContact O-CD 3.3Å; M169-R201 PolarHBondContact O-NE 2.86Å; E197-R201 PolarHBondContact O-NH1 3.25Å; E197-R201 IonicContact OE2-CZ 3.24Å; E197-R201 IonicContact OE2-NH1 3.97Å; E197-R201 PolarHBondContact OE2-NH1 3.42Å; E197-R201 IonicContact OE2-NH2 2.87Å; E197-R201 PolarHBondContact OE2-NH2 3.03Å; A198-R201 CarbonylContact O-C 3.56Å; A198-R201 PolarHBondContact O-N 3.07Å; H199-R201 PolarHBondContact O-N 2.82Å; H199-R201 VanDerWaalsContact O-N 3.1Å; R201-I203 VanDerWaalsContact C-N 3.27Å; R201-I203 HydrophobicContact CB-CD1 3.78Å; R201-I203 HydrophobicContact CB-CG1 3.91Å; R201-I203 PolarHBondContact O-N 3.27Å |
| 202 | G | 97.6 | Very high | 98.4 | Very high | 57 Ų | 57 | 33 Ų | 33 | 59% | 0.588 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 24.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A198 H199 | A198-G202 PolarHBondContact O-N 3.22Å; H199-G202 PolarHBondContact O-N 3.48Å |
| 203 | I | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | trans | -90.4 | 135.1 | -179.1 | -55.2 | 169.2 | 0 | 0 | 0 | 109.2 | M169 V173 I176 A198 R201 | M169-I203 HydrophobicContact CB-CD1 3.72Å; M169-I203 HydrophobicContact CG-CD1 4.3Å; V173-I203 HydrophobicContact CB-CD1 4.12Å; V173-I203 HydrophobicContact CG1-CD1 4.33Å; V173-I203 HydrophobicContact CG1-CG2 3.82Å; I176-I203 HydrophobicContact CD1-CG2 3.87Å; I176-I203 HydrophobicContact CG1-CG2 3.6Å; A198-I203 HydrophobicContact CB-CB 4.21Å; A198-I203 PolarHBondContact O-N 3.24Å; R201-I203 VanDerWaalsContact C-N 3.27Å; R201-I203 HydrophobicContact CB-CD1 3.78Å; R201-I203 HydrophobicContact CB-CG1 3.91Å; R201-I203 PolarHBondContact O-N 3.27Å | ||
| 204 | I | 98.7 | Very high | 98.3 | Very high | 33 Ų | 33 | 25.7 Ų | 25.7 | 17% | 0.169 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 130.8 | 170.9 | -58.3 | -60.2 | 0 | 0 | 0 | 108.7 | F110 A174 V175 I176 D226 F227 | F110-I204 HydrophobicContact CB-CG2 3.87Å; F110-I204 HydrophobicContact CD1-CD1 4.31Å; F110-I204 HydrophobicContact CD1-CG1 4.36Å; F110-I204 HydrophobicContact CD1-CG2 3.89Å; F110-I204 HydrophobicContact CG-CG2 3.85Å; A174-I204 PolarHBondContact O-N 2.89Å; A174-I204 VanDerWaalsContact O-N 3.16Å; V175-I204 CarbonylContact C-O 3.5Å; V175-I204 WeakPolarHBondContact CA-O 3.44Å; V175-I204 HydrophobicContact CG2-CB 4.27Å; I176-I204 PolarHBondContact N-O 2.95Å; I204-D226 WeakPolarHBondContact CA-OD2 3.43Å; I204-D226 HydrophobicContact CG2-CB 3.61Å; I204-F227 HydrophobicContact CG2-CD1 4.09Å; I204-F227 HydrophobicContact CG2-CE1 3.99Å |
| 205 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 134.8 | 177.5 | -175.3 | 161.5 | 0 | 0 | 0 | 111.2 | I176 L194 T195 A198 F207 D226 | I176-I205 HydrophobicContact CB-CB 4.27Å; I176-I205 HydrophobicContact CB-CD1 4.28Å; I176-I205 HydrophobicContact CB-CG1 3.98Å; I176-I205 HydrophobicContact CD1-CD1 4.37Å; I176-I205 HydrophobicContact CG2-CD1 4.17Å; I176-I205 HydrophobicContact CG2-CG1 4.2Å; L194-I205 HydrophobicContact CB-CD1 4.1Å; T195-I205 HydrophobicContact CG2-CG2 3.85Å; A198-I205 HydrophobicContact CB-CB 3.95Å; A198-I205 HydrophobicContact CB-CD1 4.05Å; A198-I205 HydrophobicContact CB-CG2 4Å; I205-F207 HydrophobicContact CD1-CE1 4.25Å; I205-F207 HydrophobicContact CD1-CE2 4.13Å; I205-F207 HydrophobicContact CD1-CZ 3.58Å; I205-F207 HydrophobicContact CG1-CE1 4.46Å; I205-F207 HydrophobicContact CG1-CE2 3.92Å; I205-F207 HydrophobicContact CG1-CZ 3.81Å; I205-D226 PolarHBondContact N-OD2 3.03Å; I205-D226 WeakPolarHBondContact O-CB 3.45Å; I205-D226 PolarHBondContact O-N 2.98Å |
| 206 | G | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 164.7 | 170 | 0 | 0 | 0 | 0 | 0 | 113.3 | I176 L177 L178 F227 | I176-G206 PolarHBondContact O-N 2.88Å; L177-G206 WeakPolarHBondContact CA-O 3.22Å; L178-G206 PolarHBondContact N-O 3.32Å; G206-F227 WeakPolarHBondContact CA-O 3.41Å |
| 207 | F | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 142.8 | -173.2 | -62.3 | -81.6 | 0 | 0 | 0 | 113 | L178 T180 I189 M191 L194 T195 I205 L209 P225 F227 A228 V229 | L178-F207 HydrophobicContact CB-CD1 4.2Å; L178-F207 HydrophobicContact CB-CE1 4.3Å; L178-F207 CarbonylContact O-C 3.57Å; L178-F207 WeakPolarHBondContact O-CA 3.34Å; T180-F207 WeakPolarHBondContact OG1-CB 3.46Å; I189-F207 HydrophobicContact CD1-CD1 3.93Å; I189-F207 HydrophobicContact CD1-CE1 3.71Å; M191-F207 HydrophobicContact CB-CE1 4.2Å; M191-F207 HydrophobicContact CB-CE2 4.06Å; M191-F207 HydrophobicContact CB-CZ 3.84Å; M191-F207 HydrophobicContact CG-CD1 3.92Å; M191-F207 HydrophobicContact CG-CD2 4.3Å; M191-F207 HydrophobicContact CG-CE1 3.79Å; M191-F207 HydrophobicContact CG-CE2 4.18Å; M191-F207 HydrophobicContact CG-CG 4.17Å; M191-F207 HydrophobicContact CG-CZ 3.93Å; M191-F207 HydrophobicContact SD-CB 4.46Å; M191-F207 HydrophobicContact SD-CD1 4.37Å; M191-F207 HydrophobicContact SD-CD2 4.2Å; M191-F207 HydrophobicContact SD-CG 4.09Å; L194-F207 HydrophobicContact CB-CZ 4.44Å; T195-F207 WeakPolarHBondContact OG1-CE2 3.29Å; I205-F207 HydrophobicContact CD1-CE1 4.25Å; I205-F207 HydrophobicContact CD1-CE2 4.13Å; I205-F207 HydrophobicContact CD1-CZ 3.58Å; I205-F207 HydrophobicContact CG1-CE1 4.46Å; I205-F207 HydrophobicContact CG1-CE2 3.92Å; I205-F207 HydrophobicContact CG1-CZ 3.81Å; F207-L209 HydrophobicContact CB-CD2 3.83Å; F207-P225 HydrophobicContact CD2-CB 3.77Å; F207-P225 HydrophobicContact CE2-CB 3.88Å; F207-F227 PolarHBondContact N-O 2.51Å; F207-A228 CarbonylContact O-C 3.52Å; F207-A228 WeakPolarHBondContact O-CA 3.22Å; F207-A228 WeakPolarHBondContact O-CB 3.41Å; F207-V229 PolarHBondContact O-N 2.79Å |
| 208 | D | 98.5 | Very high | 98.1 | Very high | 10 Ų | 10 | 25.3 Ų | 25.3 | 5% | 0.053 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 115.8 | 162.6 | -179.7 | 16.5 | 0 | 0 | 0 | 110.4 | D130 L178 T180 C210 V229 | D130-D208 WeakPolarHBondContact OD1-CB 3.15Å; L178-D208 PolarHBondContact O-N 2.97Å; T180-D208 PolarHBondContact N-O 3.31Å; D208-C210 VanDerWaalsContact OD1-CB 3.3Å; D208-C210 WeakPolarHBondContact OD1-CB 3.42Å; D208-C210 PolarHBondContact OD1-N 2.84Å; D208-C210 PolarHBondContact OD1-SG 2.88Å; D208-V229 HydrophobicContact CB-CG2 4.16Å |
| 209 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -95.8 | 10.3 | 179.1 | -32.8 | 178.3 | 0 | 0 | 0 | 112.7 | I86 T180 M191 F207 H211 A212 I213 I218 F220 A228 V229 W230 | I86-L209 HydrophobicContact CG2-CD1 4Å; T180-L209 HydrophobicContact CG2-CD2 4.43Å; T180-L209 WeakPolarHBondContact OG1-CD2 3.03Å; M191-L209 HydrophobicContact SD-CD2 4.31Å; F207-L209 HydrophobicContact CB-CD2 3.83Å; L209-H211 PolarHBondContact O-N 3.21Å; L209-A212 HydrophobicContact CB-CB 4.14Å; L209-A212 WeakPolarHBondContact O-CA 3.2Å; L209-A212 PolarHBondContact O-N 3.37Å; L209-I213 HydrophobicContact CB-CB 4.2Å; L209-I213 WeakPolarHBondContact O-CG2 3.18Å; L209-I213 PolarHBondContact O-N 2.81Å; L209-I218 HydrophobicContact CD1-CD1 4.18Å; L209-F220 HydrophobicContact CD1-CE2 4.07Å; L209-F220 HydrophobicContact CD1-CZ 3.59Å; L209-F220 HydrophobicContact CD2-CZ 4.01Å; L209-F220 HydrophobicContact CG-CZ 4.37Å; L209-A228 HydrophobicContact CD1-CB 4.09Å; L209-A228 HydrophobicContact CD2-CB 4.25Å; L209-A228 HydrophobicContact CG-CB 4.09Å; L209-V229 PolarHBondContact N-O 3.42Å; L209-W230 HydrophobicContact CB-CB 3.89Å; L209-W230 HydrophobicContact CD1-CD2 4.23Å; L209-W230 HydrophobicContact CD1-CE3 3.53Å; L209-W230 HydrophobicContact CD1-CZ3 3.97Å; L209-W230 HydrophobicContact CG-CE3 4.03Å | ||
| 210 | C | 97.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 3% | 0.034 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -37.3 | -174.5 | -80.4 | 0 | 0 | 0 | 0 | 114.4 | T99 D208 C231 K234 | T99-C210 VanDerWaalsContact CG2-SG 3.52Å; T99-C210 PolarHBondContact OG1-SG 3.48Å; D208-C210 VanDerWaalsContact OD1-CB 3.3Å; D208-C210 WeakPolarHBondContact OD1-CB 3.42Å; D208-C210 PolarHBondContact OD1-N 2.84Å; D208-C210 PolarHBondContact OD1-SG 2.88Å; C210-C231 PolarHBondContact SG-N 3.42Å; C210-K234 HydrophobicContact CB-CD 4.38Å; C210-K234 VanDerWaalsContact O-CD 3.22Å; C210-K234 WeakPolarHBondContact O-CD 3Å |
| 211 | H | 97.4 | Very high | 98.1 | Very high | 9 Ų | 9 | 23.9 Ų | 23.9 | 4% | 0.042 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 0.6 | 175.8 | -82.4 | -76.1 | 0 | 0 | 0 | 114.2 | N40 V181 Y183 L209 K234 Y235 R383 | N40-H211 PolarHBondContact O-CE1 3.41Å; N40-H211 PolarHBondContact O-ND1 2.94Å; V181-H211 HydrophobicContact CB-CB 3.83Å; V181-H211 HydrophobicContact CG1-CB 3.82Å; Y183-H211 WeakPolarHBondContact CB-CD2 3.41Å; Y183-H211 VanDerWaalsContact CB-NE2 3.32Å; Y183-H211 WeakPolarHBondContact CB-NE2 3.22Å; L209-H211 PolarHBondContact O-N 3.21Å; H211-K234 PolarHBondContact CD2-NZ 3.26Å; H211-K234 VanDerWaalsContact CD2-NZ 3.31Å; H211-K234 PolarHBondContact NE2-NZ 3.09Å; H211-Y235 WeakPolarHBondContact O-CE2 3.48Å; H211-R383 PolarHBondContact CE1-NH1 3.48Å |
| 212 | A | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -45.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T180 V181 L209 G214 A215 I216 I218 | T180-A212 HydrophobicContact CG2-CB 3.56Å; V181-A212 HydrophobicContact CB-CB 4.28Å; V181-A212 HydrophobicContact CG2-CB 3.71Å; L209-A212 HydrophobicContact CB-CB 4.14Å; L209-A212 WeakPolarHBondContact O-CA 3.2Å; L209-A212 PolarHBondContact O-N 3.37Å; A212-G214 PolarHBondContact O-N 3.16Å; A212-A215 WeakPolarHBondContact O-CB 3.25Å; A212-A215 PolarHBondContact O-N 2.9Å; A212-I216 HydrophobicContact CB-CD1 3.98Å; A212-I216 HydrophobicContact CB-CG1 4Å; A212-I216 PolarHBondContact O-N 2.79Å; A212-I218 HydrophobicContact CB-CD1 4.04Å |
| 213 | I | 98.2 | Very high | 98.1 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 126.2 | -176.9 | -165.3 | 71.4 | 0 | 0 | 0 | 110.4 | L85 I86 L209 A215 W230 L236 | L85-I213 HydrophobicContact CB-CD1 3.74Å; L85-I213 HydrophobicContact CD1-CD1 4.21Å; L85-I213 HydrophobicContact CD1-CG1 4.31Å; I86-I213 HydrophobicContact CG2-CD1 3.39Å; L209-I213 HydrophobicContact CB-CB 4.2Å; L209-I213 WeakPolarHBondContact O-CG2 3.18Å; L209-I213 PolarHBondContact O-N 2.81Å; I213-A215 PolarHBondContact O-N 3Å; I213-W230 HydrophobicContact CB-CB 4.39Å; I213-W230 HydrophobicContact CB-CG 4.28Å; I213-W230 HydrophobicContact CG1-CG 4.34Å; I213-W230 HydrophobicContact CG2-CB 3.86Å; I213-W230 HydrophobicContact CG2-CG 3.97Å; I213-L236 HydrophobicContact CB-CD1 4.5Å; I213-L236 HydrophobicContact CG1-CD1 3.69Å; I213-L236 HydrophobicContact CG1-CD2 4.47Å; I213-L236 HydrophobicContact CG1-CG 4.23Å; I213-L236 HydrophobicContact CG2-CD1 4.02Å; I213-L236 HydrophobicContact CG2-CG 4.22Å |
| 214 | G | 97.2 | Very high | 98.1 | Very high | 5 Ų | 5 | 26.2 Ų | 26.2 | 5% | 0.052 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | -3.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A212 M311 | A212-G214 PolarHBondContact O-N 3.16Å; G214-M311 VanDerWaalsContact C-CE 3.46Å |
| 215 | A | 97.1 | Very high | 98.1 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 3% | 0.033 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -37.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A212 I213 Y235 R315 | A212-A215 WeakPolarHBondContact O-CB 3.25Å; A212-A215 PolarHBondContact O-N 2.9Å; I213-A215 PolarHBondContact O-N 3Å; A215-Y235 HydrophobicContact CB-CD1 3.86Å; A215-Y235 HydrophobicContact CB-CD2 3.68Å; A215-Y235 HydrophobicContact CB-CE1 3.9Å; A215-Y235 HydrophobicContact CB-CE2 3.71Å; A215-Y235 HydrophobicContact CB-CG 3.75Å; A215-R315 WeakPolarHBondContact O-CD 3.03Å |
| 216 | I | 97.4 | Very high | 98.1 | Very high | 9 Ų | 9 | 24.8 Ų | 24.8 | 5% | 0.046 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -124.4 | 160.4 | -179.8 | 71.4 | 171.3 | 0 | 0 | 0 | 110.9 | T180 V181 I188 A212 I218 M311 | T180-I216 HydrophobicContact CG2-CD1 3.97Å; V181-I216 HydrophobicContact CG2-CD1 4.01Å; I188-I216 HydrophobicContact CD1-CD1 4.41Å; I188-I216 HydrophobicContact CD1-CG2 3.86Å; I188-I216 HydrophobicContact CG1-CD1 4.36Å; I188-I216 HydrophobicContact CG1-CG2 4.37Å; I188-I216 HydrophobicContact CG2-CD1 3.96Å; A212-I216 HydrophobicContact CB-CD1 3.98Å; A212-I216 HydrophobicContact CB-CG1 4Å; A212-I216 PolarHBondContact O-N 2.79Å; I216-I218 HydrophobicContact CD1-CG1 4.33Å; I216-I218 HydrophobicContact CG1-CD1 4.3Å; I216-I218 HydrophobicContact CG1-CG1 3.9Å; I216-M311 WeakPolarHBondContact O-CE 3.47Å |
| 217 | E | 97.7 | Very high | 98.1 | Very high | 99 Ų | 99 | 24.8 Ų | 24.8 | 46% | 0.463 | 12% | 0.119 | S | C | . | . | trans | -74.8 | 134.5 | 169.7 | -65.8 | -177.3 | -114.2 | 0 | 0 | 109.7 | M311 K312 R315 | E217-M311 HydrophobicContact CG-CB 4.18Å; E217-K312 WeakPolarHBondContact OE2-CE 3.42Å; E217-K312 WeakPolarHBondContact OE2-CG 3.38Å; E217-R315 HydrophobicContact CG-CB 4.2Å; E217-R315 HydrophobicContact CG-CG 4.46Å | ||
| 218 | I | 98.3 | Very high | 98.1 | Very high | 11 Ų | 11 | 24.8 Ų | 24.8 | 6% | 0.056 | 12% | 0.119 | C | C | . | . | trans | -130.5 | 133.2 | -178.7 | -60.5 | 174.4 | 0 | 0 | 0 | 108.3 | I86 M191 L209 A212 I216 F220 | I86-I218 CarbonylContact C-O 3.57Å; I86-I218 WeakPolarHBondContact CA-O 3.4Å; I86-I218 HydrophobicContact CB-CB 4.42Å; I86-I218 HydrophobicContact CB-CG2 4.02Å; I86-I218 HydrophobicContact CG2-CB 4.16Å; I86-I218 HydrophobicContact CG2-CD1 4.2Å; I86-I218 HydrophobicContact CG2-CG2 3.94Å; M191-I218 HydrophobicContact CE-CG1 4.42Å; M191-I218 HydrophobicContact CE-CG2 4.22Å; L209-I218 HydrophobicContact CD1-CD1 4.18Å; A212-I218 HydrophobicContact CB-CD1 4.04Å; I216-I218 HydrophobicContact CD1-CG1 4.33Å; I216-I218 HydrophobicContact CG1-CD1 4.3Å; I216-I218 HydrophobicContact CG1-CG1 3.9Å; I218-F220 HydrophobicContact CG2-CD1 3.38Å; I218-F220 HydrophobicContact CG2-CE1 3.25Å; I218-F220 HydrophobicContact CG2-CG 4.29Å; I218-F220 HydrophobicContact CG2-CZ 4.05Å | ||
| 219 | D | 98.2 | Very high | 98.1 | Very high | 52 Ų | 52 | 24.3 Ų | 24.3 | 28% | 0.278 | 12% | 0.117 | S | C | . | . | trans | -125.1 | 90.7 | 178.4 | -164.8 | -26.6 | 0 | 0 | 0 | 112.2 | N87 K221 E222 I223 | N87-D219 HydrophobicContact CB-CB 4.44Å; N87-D219 PolarHBondContact ND2-OD1 3.46Å; N87-D219 PolarHBondContact ND2-OD2 3.48Å; D219-K221 VanDerWaalsContact C-N 3.33Å; D219-K221 WeakPolarHBondContact OD1-CB 3.48Å; D219-K221 PolarHBondContact OD1-N 3.26Å; D219-E222 HydrophobicContact CB-CB 4.22Å; D219-E222 PolarHBondContact O-N 3.25Å; D219-E222 PolarHBondContact OD1-N 3.47Å; D219-E222 VanDerWaalsContact OD1-N 3.08Å; D219-I223 WeakPolarHBondContact O-CB 3.4Å; D219-I223 WeakPolarHBondContact O-CD1 3.3Å; D219-I223 WeakPolarHBondContact O-CG1 3.31Å; D219-I223 PolarHBondContact O-N 2.98Å | ||
| 220 | F | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -77.4 | -15.4 | 178.1 | -75.8 | 3.4 | 0 | 0 | 0 | 113.9 | I86 A88 M191 L209 I218 E222 I223 Q224 P225 A228 Y247 | I86-F220 HydrophobicContact CB-CD2 4.11Å; I86-F220 HydrophobicContact CB-CE2 4.35Å; I86-F220 HydrophobicContact CB-CG 4.27Å; I86-F220 HydrophobicContact CD1-CD2 3.66Å; I86-F220 HydrophobicContact CD1-CE2 3.87Å; I86-F220 HydrophobicContact CG1-CD2 4.32Å; I86-F220 WeakPolarHBondContact O-CB 3.47Å; I86-F220 PolarHBondContact O-N 2.86Å; A88-F220 HydrophobicContact CB-CB 4.35Å; M191-F220 HydrophobicContact SD-CE1 4.28Å; L209-F220 HydrophobicContact CD1-CE2 4.07Å; L209-F220 HydrophobicContact CD1-CZ 3.59Å; L209-F220 HydrophobicContact CD2-CZ 4.01Å; L209-F220 HydrophobicContact CG-CZ 4.37Å; I218-F220 HydrophobicContact CG2-CD1 3.38Å; I218-F220 HydrophobicContact CG2-CE1 3.25Å; I218-F220 HydrophobicContact CG2-CG 4.29Å; I218-F220 HydrophobicContact CG2-CZ 4.05Å; F220-E222 PolarHBondContact O-N 3.31Å; F220-I223 HydrophobicContact CD1-CB 4.39Å; F220-I223 HydrophobicContact CD1-CD1 4.15Å; F220-I223 HydrophobicContact CE1-CD1 4.42Å; F220-Q224 WeakPolarHBondContact O-CA 3.47Å; F220-Q224 PolarHBondContact O-N 2.8Å; F220-Q224 PolarHBondContact O-NE2 3.06Å; F220-P225 HydrophobicContact CD1-CG 3.96Å; F220-P225 HydrophobicContact CD2-CG 4Å; F220-P225 HydrophobicContact CE1-CG 3.86Å; F220-P225 HydrophobicContact CE2-CG 3.93Å; F220-P225 HydrophobicContact CG-CG 4.03Å; F220-P225 HydrophobicContact CZ-CG 3.84Å; F220-A228 HydrophobicContact CE2-CB 3.68Å; F220-A228 HydrophobicContact CZ-CB 3.72Å; F220-Y247 HydrophobicContact CB-CE2 4.42Å; F220-Y247 AromaticContact CD2-CD1 3.82Å; F220-Y247 HydrophobicContact CD2-CD1 3.82Å; F220-Y247 AromaticContact CD2-CD2 3.8Å; F220-Y247 HydrophobicContact CD2-CD2 3.8Å; F220-Y247 AromaticContact CD2-CE1 3.87Å; F220-Y247 HydrophobicContact CD2-CE1 3.87Å; F220-Y247 AromaticContact CD2-CE2 3.81Å; F220-Y247 HydrophobicContact CD2-CE2 3.81Å; F220-Y247 AromaticContact CD2-CG 3.8Å; F220-Y247 HydrophobicContact CD2-CG 3.8Å; F220-Y247 AromaticContact CD2-CZ 3.85Å; F220-Y247 AromaticContact CE2-CD1 3.83Å; F220-Y247 HydrophobicContact CE2-CD1 3.83Å; F220-Y247 HydrophobicContact CE2-CD2 4.29Å; F220-Y247 HydrophobicContact CE2-CE1 4.26Å; F220-Y247 AromaticContact CE2-CG 3.85Å; F220-Y247 HydrophobicContact CE2-CG 3.85Å |
| 221 | K | 97.6 | Very high | 98.2 | Very high | 120 Ų | 120 | 24.1 Ų | 24.1 | 52% | 0.522 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -64.7 | -35.1 | 166.2 | -84.1 | 166.3 | -164.6 | 159.5 | 0 | 111.1 | N87 D219 Q224 | N87-K221 WeakPolarHBondContact O-CD 3.2Å; N87-K221 WeakPolarHBondContact O-CE 3.48Å; N87-K221 WeakPolarHBondContact O-CG 3.43Å; N87-K221 PolarHBondContact O-N 3.31Å; N87-K221 PolarHBondContact OD1-NZ 2.79Å; D219-K221 VanDerWaalsContact C-N 3.33Å; D219-K221 WeakPolarHBondContact OD1-CB 3.48Å; D219-K221 PolarHBondContact OD1-N 3.26Å; K221-Q224 WeakPolarHBondContact O-CG 3.4Å; K221-Q224 PolarHBondContact O-NE2 2.78Å |
| 222 | E | 98 | Very high | 98.2 | Very high | 110 Ų | 110 | 23.7 Ų | 23.7 | 51% | 0.514 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -84.7 | -49.5 | 176.7 | -172.2 | 174.9 | -173.9 | 0 | 0 | 112.7 | K192 D219 F220 | K192-E222 HydrophobicContact CD-CG 4.12Å; K192-E222 WeakPolarHBondContact CE-OE1 3.19Å; K192-E222 IonicContact NZ-OE1 3.25Å; K192-E222 PolarHBondContact NZ-OE1 2.93Å; D219-E222 HydrophobicContact CB-CB 4.22Å; D219-E222 PolarHBondContact O-N 3.25Å; D219-E222 PolarHBondContact OD1-N 3.47Å; D219-E222 VanDerWaalsContact OD1-N 3.08Å; F220-E222 PolarHBondContact O-N 3.31Å |
| 223 | I | 98.4 | Very high | 98.2 | Very high | 19 Ų | 19 | 27.1 Ų | 27.1 | 10% | 0.097 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70.7 | -39.9 | -174.4 | -63.2 | 160 | 0 | 0 | 0 | 111.5 | M191 K192 T195 D219 F220 P225 | M191-I223 HydrophobicContact CB-CD1 4.09Å; M191-I223 HydrophobicContact CB-CG1 4.45Å; M191-I223 HydrophobicContact CB-CG2 3.79Å; M191-I223 HydrophobicContact CE-CD1 3.66Å; M191-I223 HydrophobicContact SD-CD1 4.37Å; K192-I223 HydrophobicContact CB-CG1 4.13Å; T195-I223 WeakPolarHBondContact CG2-O 3.2Å; D219-I223 WeakPolarHBondContact O-CB 3.4Å; D219-I223 WeakPolarHBondContact O-CD1 3.3Å; D219-I223 WeakPolarHBondContact O-CG1 3.31Å; D219-I223 PolarHBondContact O-N 2.98Å; F220-I223 HydrophobicContact CD1-CB 4.39Å; F220-I223 HydrophobicContact CD1-CD1 4.15Å; F220-I223 HydrophobicContact CE1-CD1 4.42Å; I223-P225 HydrophobicContact CG2-CG 4.4Å |
| 224 | Q | 98.4 | Very high | 98.1 | Very high | 59 Ų | 59 | 27.8 Ų | 27.8 | 28% | 0.276 | 13% | 0.13 | S | C | . | . | trans | 52.6 | 47.3 | -179.3 | -68.9 | -72.9 | -61.7 | 0 | 0 | 115.1 | H199 F220 K221 N249 | H199-Q224 PolarHBondContact CE1-O 2.75Å; H199-Q224 VanDerWaalsContact CE1-O 3.27Å; F220-Q224 WeakPolarHBondContact O-CA 3.47Å; F220-Q224 PolarHBondContact O-N 2.8Å; F220-Q224 PolarHBondContact O-NE2 3.06Å; K221-Q224 WeakPolarHBondContact O-CG 3.4Å; K221-Q224 PolarHBondContact O-NE2 2.78Å; Q224-N249 PolarHBondContact OE1-ND2 2.99Å | ||
| 225 | P | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -61.5 | 162.4 | 175.8 | 31.4 | -33.2 | 0 | 0 | 0 | 110.4 | F207 F220 I223 Y247 N249 | F207-P225 HydrophobicContact CD2-CB 3.77Å; F207-P225 HydrophobicContact CE2-CB 3.88Å; F220-P225 HydrophobicContact CD1-CG 3.96Å; F220-P225 HydrophobicContact CD2-CG 4Å; F220-P225 HydrophobicContact CE1-CG 3.86Å; F220-P225 HydrophobicContact CE2-CG 3.93Å; F220-P225 HydrophobicContact CG-CG 4.03Å; F220-P225 HydrophobicContact CZ-CG 3.84Å; I223-P225 HydrophobicContact CG2-CG 4.4Å; P225-Y247 HydrophobicContact CG-CD1 4.32Å; P225-Y247 HydrophobicContact CG-CE1 3.87Å; P225-Y247 WeakPolarHBondContact O-CE1 3.44Å; P225-N249 VanDerWaalsContact O-CB 3.3Å; P225-N249 WeakPolarHBondContact O-CB 3.42Å; P225-N249 PolarHBondContact O-ND2 2.96Å; P225-N249 VanDerWaalsContact O-ND2 3.11Å | ||
| 226 | D | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.016 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -76.2 | -39.1 | 178.9 | -63.4 | -72.7 | 0 | 0 | 0 | 111.8 | H199 I204 I205 N249 K251 H252 | H199-D226 IonicContact CD2-OD2 2.71Å; H199-D226 IonicContact CE1-OD2 3.08Å; H199-D226 IonicContact NE2-OD1 2.87Å; H199-D226 IonicContact NE2-OD2 3.47Å; H199-D226 PolarHBondContact NE2-OD2 3.12Å; I204-D226 WeakPolarHBondContact CA-OD2 3.43Å; I204-D226 HydrophobicContact CG2-CB 3.61Å; I205-D226 PolarHBondContact N-OD2 3.03Å; I205-D226 WeakPolarHBondContact O-CB 3.45Å; I205-D226 PolarHBondContact O-N 2.98Å; D226-N249 WeakPolarHBondContact O-CB 3.4Å; D226-N249 PolarHBondContact O-N 3.1Å; D226-K251 WeakPolarHBondContact OD1-CE 3.3Å; D226-K251 IonicContact OD1-NZ 3.62Å; D226-K251 PolarHBondContact OD1-NZ 3.49Å; D226-H252 WeakPolarHBondContact CB-NE2 3.3Å; D226-H252 IonicContact OD1-CD2 2.87Å; D226-H252 IonicContact OD1-CE1 2.63Å; D226-H252 IonicContact OD1-NE2 2.79Å; D226-H252 PolarHBondContact OD1-NE2 3.48Å |
| 227 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 164.6 | 172.3 | 69 | -86 | 0 | 0 | 0 | 111.3 | A106 F110 V175 L177 I204 G206 F207 Y247 I248 | A106-F227 HydrophobicContact CB-CD2 3.45Å; A106-F227 VanDerWaalsContact CB-CD2 3.45Å; A106-F227 HydrophobicContact CB-CE2 3.64Å; A106-F227 HydrophobicContact CB-CG 3.94Å; A106-F227 HydrophobicContact CB-CZ 4.27Å; F110-F227 HydrophobicContact CD2-CB 4.34Å; F110-F227 AromaticContact CD2-CD1 3.56Å; F110-F227 HydrophobicContact CD2-CD1 3.56Å; F110-F227 HydrophobicContact CD2-CE1 4.11Å; F110-F227 HydrophobicContact CD2-CG 4.11Å; F110-F227 HydrophobicContact CE2-CB 3.72Å; F110-F227 AromaticContact CE2-CD1 3.78Å; F110-F227 HydrophobicContact CE2-CD1 3.78Å; F110-F227 AromaticContact CE2-CG 3.99Å; F110-F227 HydrophobicContact CE2-CG 3.99Å; F110-F227 HydrophobicContact CG-CD1 4.29Å; F110-F227 HydrophobicContact CZ-CB 4.43Å; V175-F227 HydrophobicContact CG1-CE1 4.14Å; V175-F227 HydrophobicContact CG1-CZ 4.33Å; L177-F227 HydrophobicContact CD1-CE2 4.01Å; L177-F227 HydrophobicContact CD1-CZ 4.25Å; I204-F227 HydrophobicContact CG2-CD1 4.09Å; I204-F227 HydrophobicContact CG2-CE1 3.99Å; G206-F227 WeakPolarHBondContact CA-O 3.41Å; F207-F227 PolarHBondContact N-O 2.51Å; F227-Y247 CarbonylContact C-O 3.53Å; F227-Y247 WeakPolarHBondContact CA-O 3.49Å; F227-Y247 WeakPolarHBondContact CB-O 3.43Å; F227-I248 HydrophobicContact CB-CD1 3.99Å |
| 228 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 155.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | F207 L209 F220 W230 L246 Y247 | F207-A228 CarbonylContact O-C 3.52Å; F207-A228 WeakPolarHBondContact O-CA 3.22Å; F207-A228 WeakPolarHBondContact O-CB 3.41Å; L209-A228 HydrophobicContact CD1-CB 4.09Å; L209-A228 HydrophobicContact CD2-CB 4.25Å; L209-A228 HydrophobicContact CG-CB 4.09Å; F220-A228 HydrophobicContact CE2-CB 3.68Å; F220-A228 HydrophobicContact CZ-CB 3.72Å; A228-W230 HydrophobicContact CB-CE3 4.45Å; A228-W230 HydrophobicContact CB-CZ3 4.23Å; A228-L246 CarbonylContact O-C 3.47Å; A228-L246 WeakPolarHBondContact O-CA 3.42Å; A228-Y247 HydrophobicContact CB-CD1 4.33Å; A228-Y247 PolarHBondContact N-O 3.05Å; A228-Y247 PolarHBondContact O-N 3.1Å |
| 229 | V | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 154 | 179.3 | -61.1 | 0 | 0 | 0 | 0 | 109.7 | T99 N102 I103 F207 D208 L209 L246 | T99-V229 HydrophobicContact CG2-CB 4.37Å; T99-V229 HydrophobicContact CG2-CG2 3.96Å; N102-V229 HydrophobicContact CB-CB 4.34Å; N102-V229 HydrophobicContact CB-CG1 3.81Å; I103-V229 HydrophobicContact CD1-CG2 4.32Å; I103-V229 HydrophobicContact CG1-CB 4.45Å; I103-V229 HydrophobicContact CG1-CG1 4.36Å; I103-V229 HydrophobicContact CG1-CG2 3.69Å; F207-V229 PolarHBondContact O-N 2.79Å; D208-V229 HydrophobicContact CB-CG2 4.16Å; L209-V229 PolarHBondContact N-O 3.42Å; V229-L246 HydrophobicContact CG1-CD1 3.8Å |
| 230 | W | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 152.5 | 172.8 | 57.1 | 91.5 | 0 | 0 | 0 | 112.8 | M82 I86 I93 L209 I213 A228 A244 G245 | M82-W230 HydrophobicContact SD-CZ2 4.21Å; I86-W230 HydrophobicContact CD1-CH2 3.84Å; I86-W230 HydrophobicContact CD1-CZ3 4.32Å; I93-W230 HydrophobicContact CG2-CH2 4.08Å; I93-W230 HydrophobicContact CG2-CZ2 3.96Å; L209-W230 HydrophobicContact CB-CB 3.89Å; L209-W230 HydrophobicContact CD1-CD2 4.23Å; L209-W230 HydrophobicContact CD1-CE3 3.53Å; L209-W230 HydrophobicContact CD1-CZ3 3.97Å; L209-W230 HydrophobicContact CG-CE3 4.03Å; I213-W230 HydrophobicContact CB-CB 4.39Å; I213-W230 HydrophobicContact CB-CG 4.28Å; I213-W230 HydrophobicContact CG1-CG 4.34Å; I213-W230 HydrophobicContact CG2-CB 3.86Å; I213-W230 HydrophobicContact CG2-CG 3.97Å; A228-W230 HydrophobicContact CB-CE3 4.45Å; A228-W230 HydrophobicContact CB-CZ3 4.23Å; W230-A244 CarbonylContact O-C 3.41Å; W230-A244 VanDerWaalsContact O-CA 3.25Å; W230-A244 WeakPolarHBondContact O-CA 3.22Å; W230-A244 WeakPolarHBondContact O-CB 3.14Å; W230-G245 PolarHBondContact N-O 3.28Å; W230-G245 VanDerWaalsContact N-O 3.15Å; W230-G245 PolarHBondContact O-N 3.35Å |
| 231 | C | 98.2 | Very high | 96.9 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | trans | -82.7 | 164.3 | 165.8 | 69.5 | 0 | 0 | 0 | 0 | 111.1 | T99 C210 Y233 K234 | T99-C231 WeakPolarHBondContact OG1-CA 2.98Å; T99-C231 VanDerWaalsContact OG1-CB 3.32Å; T99-C231 WeakPolarHBondContact OG1-CB 3.36Å; T99-C231 PolarHBondContact OG1-N 2.83Å; T99-C231 VanDerWaalsContact OG1-N 3.1Å; C210-C231 PolarHBondContact SG-N 3.42Å; C231-Y233 HydrophobicContact CB-CD1 3.69Å; C231-Y233 HydrophobicContact CB-CE1 3.33Å; C231-Y233 HydrophobicContact CB-CG 4.46Å; C231-K234 WeakPolarHBondContact SG-CD 2.95Å | ||
| 232 | T | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -117.2 | -0.8 | -179 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | M82 L236 G238 S242 T243 L299 | M82-T232 HydrophobicContact CE-CG2 3.36Å; T232-L236 HydrophobicContact CG2-CD1 4.2Å; T232-L236 CarbonylContact O-C 3.58Å; T232-L236 VanDerWaalsContact O-CB 3.29Å; T232-L236 WeakPolarHBondContact O-CB 3.37Å; T232-G238 VanDerWaalsContact O-CA 3.3Å; T232-G238 WeakPolarHBondContact O-CA 3.26Å; T232-G238 PolarHBondContact O-N 3.19Å; T232-S242 VanDerWaalsContact C-OG 3.3Å; T232-S242 WeakPolarHBondContact OG1-CB 3.25Å; T232-S242 PolarHBondContact OG1-OG 3.16Å; T232-T243 WeakPolarHBondContact CG2-O 3.38Å; T232-T243 PolarHBondContact OG1-O 3.42Å; T232-L299 HydrophobicContact CG2-CD1 4.22Å; T232-L299 HydrophobicContact CG2-CD2 3.77Å |
| 233 | Y | 97.3 | Very high | 96.8 | Very high | 72 Ų | 72 | 21.4 Ų | 21.4 | 28% | 0.282 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -92.2 | -8.2 | -175.1 | 60.1 | -103.6 | 0 | 0 | 0 | 114.7 | S41 L42 G43 C231 G239 S242 | S41-Y233 WeakPolarHBondContact O-CD2 3.19Å; S41-Y233 WeakPolarHBondContact O-CE2 3.32Å; L42-Y233 WeakPolarHBondContact CA-O 3.17Å; L42-Y233 HydrophobicContact CD1-CD2 4.42Å; G43-Y233 PolarHBondContact N-O 3.3Å; C231-Y233 HydrophobicContact CB-CD1 3.69Å; C231-Y233 HydrophobicContact CB-CE1 3.33Å; C231-Y233 HydrophobicContact CB-CG 4.46Å; Y233-G239 WeakPolarHBondContact CB-O 3.37Å; Y233-S242 WeakPolarHBondContact CB-OG 3.47Å; Y233-S242 PolarHBondContact N-OG 2.91Å |
| 234 | K | 97.5 | Very high | 96.8 | Very high | 17 Ų | 17 | 20.6 Ų | 20.6 | 7% | 0.074 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -82 | -119.8 | 176.7 | -68.5 | 176 | 176.9 | 177.7 | 0 | 109.8 | G39 N40 S41 G43 C210 H211 C231 L236 N237 | G39-K234 CarbonylContact O-C 3.23Å; N40-K234 VanDerWaalsContact O-CD 3.27Å; N40-K234 WeakPolarHBondContact O-CD 3.31Å; N40-K234 WeakPolarHBondContact O-CG 3.48Å; S41-K234 VanDerWaalsContact O-CG 3.3Å; S41-K234 WeakPolarHBondContact O-CG 3.42Å; G43-K234 VanDerWaalsContact CA-O 3.24Å; G43-K234 WeakPolarHBondContact CA-O 3.45Å; G43-K234 PolarHBondContact N-O 2.77Å; C210-K234 HydrophobicContact CB-CD 4.38Å; C210-K234 VanDerWaalsContact O-CD 3.22Å; C210-K234 WeakPolarHBondContact O-CD 3Å; H211-K234 PolarHBondContact CD2-NZ 3.26Å; H211-K234 VanDerWaalsContact CD2-NZ 3.31Å; H211-K234 PolarHBondContact NE2-NZ 3.09Å; C231-K234 WeakPolarHBondContact SG-CD 2.95Å; K234-L236 PolarHBondContact O-N 2.82Å; K234-N237 PolarHBondContact O-N 3.18Å |
| 235 | Y | 97.6 | Very high | 96.8 | Very high | 10 Ų | 10 | 17.8 Ų | 17.8 | 4% | 0.039 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -30.1 | 179.6 | -66.4 | -81.2 | 0 | 0 | 0 | 114 | G39 N40 H211 A215 N237 F306 G351 H352 I387 | G39-Y235 PolarHBondContact O-N 3.02Å; N40-Y235 HydrophobicContact CB-CE1 4.01Å; N40-Y235 HydrophobicContact CB-CE2 3.77Å; N40-Y235 WeakPolarHBondContact CB-OH 3.45Å; H211-Y235 WeakPolarHBondContact O-CE2 3.48Å; A215-Y235 HydrophobicContact CB-CD1 3.86Å; A215-Y235 HydrophobicContact CB-CD2 3.68Å; A215-Y235 HydrophobicContact CB-CE1 3.9Å; A215-Y235 HydrophobicContact CB-CE2 3.71Å; A215-Y235 HydrophobicContact CB-CG 3.75Å; Y235-N237 VanDerWaalsContact C-N 3.27Å; Y235-N237 PolarHBondContact O-N 3.48Å; Y235-N237 PolarHBondContact O-ND2 2.62Å; Y235-F306 WeakPolarHBondContact O-CZ 3.44Å; Y235-G351 WeakPolarHBondContact OH-CA 3.43Å; Y235-H352 PolarHBondContact OH-ND1 2.68Å; Y235-I387 HydrophobicContact CD1-CD1 3.69Å; Y235-I387 HydrophobicContact CE1-CD1 3.57Å |
| 236 | L | 97.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -0.9 | 177.9 | -67.5 | -173.7 | 0 | 0 | 0 | 114.8 | M82 L85 I213 T232 K234 G238 S302 L303 F306 | M82-L236 HydrophobicContact CE-CD1 3.79Å; L85-L236 HydrophobicContact CD1-CD1 4.09Å; L85-L236 HydrophobicContact CD1-CD2 3.7Å; I213-L236 HydrophobicContact CB-CD1 4.5Å; I213-L236 HydrophobicContact CG1-CD1 3.69Å; I213-L236 HydrophobicContact CG1-CD2 4.47Å; I213-L236 HydrophobicContact CG1-CG 4.23Å; I213-L236 HydrophobicContact CG2-CD1 4.02Å; I213-L236 HydrophobicContact CG2-CG 4.22Å; T232-L236 HydrophobicContact CG2-CD1 4.2Å; T232-L236 CarbonylContact O-C 3.58Å; T232-L236 VanDerWaalsContact O-CB 3.29Å; T232-L236 WeakPolarHBondContact O-CB 3.37Å; K234-L236 PolarHBondContact O-N 2.82Å; L236-G238 PolarHBondContact O-N 2.9Å; L236-S302 VanDerWaalsContact O-CB 3.29Å; L236-S302 WeakPolarHBondContact O-CB 3.32Å; L236-S302 PolarHBondContact O-OG 3.44Å; L236-L303 HydrophobicContact CD1-CD2 4.42Å; L236-L303 HydrophobicContact CD2-CD2 4.36Å; L236-F306 HydrophobicContact CD2-CD1 4.08Å; L236-F306 HydrophobicContact CD2-CD2 4.27Å; L236-F306 HydrophobicContact CD2-CE1 3.9Å; L236-F306 HydrophobicContact CD2-CE2 4.1Å; L236-F306 HydrophobicContact CD2-CG 4.29Å; L236-F306 HydrophobicContact CD2-CZ 3.94Å |
| 237 | N | 97.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | trans | 53 | 31.1 | 172.4 | -50 | -50.7 | 0 | 0 | 0 | 114.9 | F28 G43 M44 K234 Y235 G239 | F28-N237 HydrophobicContact CE1-CB 4.26Å; F28-N237 WeakPolarHBondContact CE1-ND2 3.29Å; G43-N237 WeakPolarHBondContact CA-OD1 3.32Å; M44-N237 PolarHBondContact N-OD1 3.02Å; M44-N237 WeakPolarHBondContact O-CB 3.45Å; K234-N237 PolarHBondContact O-N 3.18Å; Y235-N237 VanDerWaalsContact C-N 3.27Å; Y235-N237 PolarHBondContact O-N 3.48Å; Y235-N237 PolarHBondContact O-ND2 2.62Å; N237-G239 PolarHBondContact O-N 3.36Å | ||
| 238 | G | 95.8 | Very high | 96.8 | Very high | 6 Ų | 6 | 17.6 Ų | 17.6 | 6% | 0.062 | 11% | 0.112 | C | C | . | . | trans | -72.1 | -7.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | T232 L236 S242 | T232-G238 VanDerWaalsContact O-CA 3.3Å; T232-G238 WeakPolarHBondContact O-CA 3.26Å; T232-G238 PolarHBondContact O-N 3.19Å; L236-G238 PolarHBondContact O-N 2.9Å; G238-S242 VanDerWaalsContact O-CB 3.26Å; G238-S242 WeakPolarHBondContact O-CB 3.46Å | ||
| 239 | G | 91.7 | Very high | 96.8 | Very high | 29 Ų | 29 | 17.6 Ų | 17.6 | 30% | 0.299 | 11% | 0.112 | S | C | . | . | trans | 93.9 | 164 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y233 N237 G241 S242 | Y233-G239 WeakPolarHBondContact CB-O 3.37Å; N237-G239 PolarHBondContact O-N 3.36Å; G239-G241 PolarHBondContact O-N 3.22Å; G239-S242 VanDerWaalsContact O-CB 3.23Å; G239-S242 WeakPolarHBondContact O-CB 3.35Å; G239-S242 PolarHBondContact O-N 2.92Å; G239-S242 VanDerWaalsContact O-N 3.09Å; G239-S242 PolarHBondContact O-OG 3.41Å | ||
| 240 | L | 88.9 | Confident | 96.7 | Very high | 153 Ų | 153 | 21.5 Ų | 21.5 | 80% | 0.801 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 123.7 | -173 | -64.8 | 122 | 0 | 0 | 0 | 112.6 | L42 S242 | L42-L240 HydrophobicContact CD1-CD2 4.46Å; L42-L240 HydrophobicContact CD1-CG 4.16Å; L42-L240 HydrophobicContact CD2-CD2 3.77Å; L42-L240 HydrophobicContact CD2-CG 4.09Å; L240-S242 PolarHBondContact O-N 2.84Å |
| 241 | G | 89.4 | Confident | 96.7 | Very high | 69 Ų | 69 | 25.9 Ų | 25.9 | 71% | 0.711 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 23.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G239 | G239-G241 PolarHBondContact O-N 3.22Š|
| 242 | S | 96.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 26.5 Ų | 26.5 | 4% | 0.035 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -59.6 | 151.8 | -176.6 | 62.6 | 0 | 0 | 0 | 0 | 113 | T232 Y233 G238 G239 L240 S295 | T232-S242 VanDerWaalsContact C-OG 3.3Å; T232-S242 WeakPolarHBondContact OG1-CB 3.25Å; T232-S242 PolarHBondContact OG1-OG 3.16Å; Y233-S242 WeakPolarHBondContact CB-OG 3.47Å; Y233-S242 PolarHBondContact N-OG 2.91Å; G238-S242 VanDerWaalsContact O-CB 3.26Å; G238-S242 WeakPolarHBondContact O-CB 3.46Å; G239-S242 VanDerWaalsContact O-CB 3.23Å; G239-S242 WeakPolarHBondContact O-CB 3.35Å; G239-S242 PolarHBondContact O-N 2.92Å; G239-S242 VanDerWaalsContact O-N 3.09Å; G239-S242 PolarHBondContact O-OG 3.41Å; L240-S242 PolarHBondContact O-N 2.84Å; S242-S295 WeakPolarHBondContact CA-OG 3.44Å; S242-S295 WeakPolarHBondContact CB-OG 3.48Å |
| 243 | T | 97.5 | Very high | 96.6 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -57.4 | 138.2 | -175.7 | -170.8 | 0 | 0 | 0 | 0 | 112.3 | V95 T96 G97 T232 T292 S295 M296 | V95-T243 HydrophobicContact CG1-CG2 3.47Å; V95-T243 VanDerWaalsContact CG1-CG2 3.47Å; T96-T243 VanDerWaalsContact C-OG1 3.31Å; T96-T243 WeakPolarHBondContact CA-OG1 3.25Å; G97-T243 VanDerWaalsContact O-CA 3.32Å; G97-T243 WeakPolarHBondContact O-CA 3.5Å; G97-T243 PolarHBondContact O-OG1 3.44Å; T232-T243 WeakPolarHBondContact CG2-O 3.38Å; T232-T243 PolarHBondContact OG1-O 3.42Å; T243-T292 VanDerWaalsContact CB-OG1 3.31Å; T243-T292 WeakPolarHBondContact CB-OG1 3.33Å; T243-S295 PolarHBondContact N-OG 2.88Å; T243-M296 HydrophobicContact CG2-CG 3.8Å |
| 244 | A | 98.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -83.2 | 161.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V95 T96 G97 T99 N102 W230 | V95-A244 CarbonylContact C-O 3.58Å; V95-A244 WeakPolarHBondContact CA-O 3.41Å; T96-A244 PolarHBondContact N-O 3.18Å; T96-A244 VanDerWaalsContact O-O 3.08Å; G97-A244 PolarHBondContact O-N 2.91Å; T99-A244 VanDerWaalsContact N-CB 3.29Å; N102-A244 WeakPolarHBondContact ND2-CB 3.19Å; W230-A244 CarbonylContact O-C 3.41Å; W230-A244 VanDerWaalsContact O-CA 3.25Å; W230-A244 WeakPolarHBondContact O-CA 3.22Å; W230-A244 WeakPolarHBondContact O-CB 3.14Å |
| 245 | G | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 151.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T94 N102 W230 | T94-G245 WeakPolarHBondContact O-CA 3.21Å; N102-G245 PolarHBondContact ND2-O 3.18Å; W230-G245 PolarHBondContact N-O 3.28Å; W230-G245 VanDerWaalsContact N-O 3.15Å; W230-G245 PolarHBondContact O-N 3.35Å |
| 246 | L | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 122 | 169.4 | 171.3 | 65.9 | 0 | 0 | 0 | 107.6 | I93 T94 N102 A106 A228 V229 I248 W286 | I93-L246 WeakPolarHBondContact CA-O 3.3Å; T94-L246 HydrophobicContact CG2-CB 3.81Å; T94-L246 HydrophobicContact CG2-CD2 4.01Å; T94-L246 HydrophobicContact CG2-CG 4.18Å; T94-L246 PolarHBondContact N-O 3.09Å; T94-L246 PolarHBondContact O-N 3.07Å; N102-L246 HydrophobicContact CB-CB 4.25Å; N102-L246 HydrophobicContact CB-CD1 4.43Å; A106-L246 HydrophobicContact CB-CD1 4.29Å; A228-L246 CarbonylContact O-C 3.47Å; A228-L246 WeakPolarHBondContact O-CA 3.42Å; V229-L246 HydrophobicContact CG1-CD1 3.8Å; L246-I248 HydrophobicContact CD1-CD1 4.02Å; L246-I248 HydrophobicContact CD2-CD1 4.34Å; L246-I248 HydrophobicContact CD2-CG1 4.37Å; L246-I248 HydrophobicContact CG-CD1 4.18Å; L246-I248 HydrophobicContact CG-CG1 4.18Å; L246-W286 HydrophobicContact CD2-CB 3.76Å; L246-W286 HydrophobicContact CD2-CG 4.23Å |
| 247 | Y | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 133.3 | 169.2 | 168.5 | -93.3 | 0 | 0 | 0 | 109.6 | I86 A88 E92 I93 F220 P225 F227 A228 N249 | I86-Y247 HydrophobicContact CD1-CD2 4.04Å; I86-Y247 HydrophobicContact CD1-CG 4.48Å; A88-Y247 HydrophobicContact CB-CD2 4.1Å; A88-Y247 HydrophobicContact CB-CE2 3.76Å; E92-Y247 HydrophobicContact CB-CD2 3.7Å; E92-Y247 HydrophobicContact CB-CE2 3.44Å; E92-Y247 VanDerWaalsContact CB-CE2 3.44Å; E92-Y247 HydrophobicContact CG-CE2 4.21Å; E92-Y247 CarbonylContact O-C 3.19Å; E92-Y247 WeakPolarHBondContact O-CA 3.4Å; E92-Y247 VanDerWaalsContact O-CD2 3.29Å; E92-Y247 WeakPolarHBondContact O-CD2 3.41Å; I93-Y247 HydrophobicContact CG1-CD2 4.4Å; F220-Y247 HydrophobicContact CB-CE2 4.42Å; F220-Y247 AromaticContact CD2-CD1 3.82Å; F220-Y247 HydrophobicContact CD2-CD1 3.82Å; F220-Y247 AromaticContact CD2-CD2 3.8Å; F220-Y247 HydrophobicContact CD2-CD2 3.8Å; F220-Y247 AromaticContact CD2-CE1 3.87Å; F220-Y247 HydrophobicContact CD2-CE1 3.87Å; F220-Y247 AromaticContact CD2-CE2 3.81Å; F220-Y247 HydrophobicContact CD2-CE2 3.81Å; F220-Y247 AromaticContact CD2-CG 3.8Å; F220-Y247 HydrophobicContact CD2-CG 3.8Å; F220-Y247 AromaticContact CD2-CZ 3.85Å; F220-Y247 AromaticContact CE2-CD1 3.83Å; F220-Y247 HydrophobicContact CE2-CD1 3.83Å; F220-Y247 HydrophobicContact CE2-CD2 4.29Å; F220-Y247 HydrophobicContact CE2-CE1 4.26Å; F220-Y247 AromaticContact CE2-CG 3.85Å; F220-Y247 HydrophobicContact CE2-CG 3.85Å; P225-Y247 HydrophobicContact CG-CD1 4.32Å; P225-Y247 HydrophobicContact CG-CE1 3.87Å; P225-Y247 WeakPolarHBondContact O-CE1 3.44Å; F227-Y247 CarbonylContact C-O 3.53Å; F227-Y247 WeakPolarHBondContact CA-O 3.49Å; F227-Y247 WeakPolarHBondContact CB-O 3.43Å; A228-Y247 HydrophobicContact CB-CD1 4.33Å; A228-Y247 PolarHBondContact N-O 3.05Å; A228-Y247 PolarHBondContact O-N 3.1Å; Y247-N249 HydrophobicContact CE1-CB 4.01Å; Y247-N249 PolarHBondContact OH-ND2 2.9Å |
| 248 | I | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 121.9 | 169 | -58.4 | -66.3 | 0 | 0 | 0 | 106.5 | E92 F110 F227 L246 Q250 H252 F253 A283 W286 | E92-I248 WeakPolarHBondContact CA-O 3.4Å; E92-I248 WeakPolarHBondContact CB-O 3.11Å; E92-I248 PolarHBondContact O-N 3.18Å; F110-I248 HydrophobicContact CE2-CD1 3.75Å; F110-I248 HydrophobicContact CZ-CD1 4.16Å; F110-I248 HydrophobicContact CZ-CG2 4.33Å; F227-I248 HydrophobicContact CB-CD1 3.99Å; L246-I248 HydrophobicContact CD1-CD1 4.02Å; L246-I248 HydrophobicContact CD2-CD1 4.34Å; L246-I248 HydrophobicContact CD2-CG1 4.37Å; L246-I248 HydrophobicContact CG-CD1 4.18Å; L246-I248 HydrophobicContact CG-CG1 4.18Å; I248-Q250 PolarHBondContact O-N 2.95Å; I248-H252 HydrophobicContact CG2-CB 4.03Å; I248-F253 HydrophobicContact CB-CE1 4.47Å; I248-F253 HydrophobicContact CG2-CD1 4.32Å; I248-F253 HydrophobicContact CG2-CE1 4.37Å; I248-F253 WeakPolarHBondContact O-CE1 3.34Å; I248-A283 HydrophobicContact CB-CB 4.22Å; I248-A283 HydrophobicContact CG1-CB 4.46Å; I248-W286 HydrophobicContact CG1-CD2 4.13Å; I248-W286 HydrophobicContact CG1-CE3 4.34Å; I248-W286 HydrophobicContact CG1-CG 4.4Å; I248-W286 HydrophobicContact CG2-CH2 4.3Å; I248-W286 HydrophobicContact CG2-CZ2 4.49Å; I248-W286 HydrophobicContact CG2-CZ3 4.41Å |
| 249 | N | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -59.1 | 135.9 | 177.9 | -169.2 | -61.2 | 0 | 0 | 0 | 110.3 | Q224 P225 D226 Y247 K251 H252 | Q224-N249 PolarHBondContact OE1-ND2 2.99Å; P225-N249 VanDerWaalsContact O-CB 3.3Å; P225-N249 WeakPolarHBondContact O-CB 3.42Å; P225-N249 PolarHBondContact O-ND2 2.96Å; P225-N249 VanDerWaalsContact O-ND2 3.11Å; D226-N249 WeakPolarHBondContact O-CB 3.4Å; D226-N249 PolarHBondContact O-N 3.1Å; Y247-N249 HydrophobicContact CE1-CB 4.01Å; Y247-N249 PolarHBondContact OH-ND2 2.9Å; N249-K251 HydrophobicContact CB-CG 4.19Å; N249-K251 PolarHBondContact O-N 3.41Å; N249-K251 VanDerWaalsContact OD1-CG 3.29Å; N249-K251 WeakPolarHBondContact OD1-CG 3.48Å; N249-K251 PolarHBondContact OD1-N 3.21Å; N249-H252 PolarHBondContact O-N 3.46Å | ||
| 250 | Q | 98.1 | Very high | 96.4 | Very high | 81 Ų | 81 | 48.9 Ų | 48.9 | 38% | 0.379 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -52.5 | -25.2 | -178.7 | 64.9 | 178.7 | 7.1 | 0 | 0 | 114.2 | E92 I248 H252 F253 | E92-Q250 HydrophobicContact CG-CB 3.97Å; E92-Q250 WeakPolarHBondContact OE1-CB 3.38Å; E92-Q250 WeakPolarHBondContact OE1-CG 3.2Å; E92-Q250 PolarHBondContact OE1-N 3.42Å; I248-Q250 PolarHBondContact O-N 2.95Å; Q250-H252 PolarHBondContact O-N 3.27Å; Q250-H252 VanDerWaalsContact O-N 3.16Å; Q250-F253 HydrophobicContact CB-CD2 4.05Å; Q250-F253 HydrophobicContact CB-CE1 4.49Å; Q250-F253 HydrophobicContact CB-CE2 3.65Å; Q250-F253 HydrophobicContact CB-CZ 3.89Å; Q250-F253 WeakPolarHBondContact O-CG 3.38Å; Q250-F253 PolarHBondContact O-N 3.18Å |
| 251 | K | 97.5 | Very high | 96.7 | Very high | 92 Ų | 92 | 42.2 Ų | 42.2 | 40% | 0.4 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -64.8 | -13.5 | 177.1 | 78.3 | -169.8 | -178.6 | -178.2 | 0 | 113.8 | H199 D226 N249 | H199-K251 PolarHBondContact CE1-NZ 2.88Å; H199-K251 PolarHBondContact NE2-NZ 2.92Å; D226-K251 WeakPolarHBondContact OD1-CE 3.3Å; D226-K251 IonicContact OD1-NZ 3.62Å; D226-K251 PolarHBondContact OD1-NZ 3.49Å; N249-K251 HydrophobicContact CB-CG 4.19Å; N249-K251 PolarHBondContact O-N 3.41Å; N249-K251 VanDerWaalsContact OD1-CG 3.29Å; N249-K251 WeakPolarHBondContact OD1-CG 3.48Å; N249-K251 PolarHBondContact OD1-N 3.21Å |
| 252 | H | 98.1 | Very high | 96.9 | Very high | 16 Ų | 16 | 44.6 Ų | 44.6 | 7% | 0.074 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -110 | 7.6 | -178.8 | -62.1 | -57.2 | 0 | 0 | 0 | 113.7 | F110 D226 I248 N249 Q250 D254 K255 | F110-H252 HydrophobicContact CE1-CB 4.01Å; F110-H252 AromaticContact CE1-CD2 3.56Å; F110-H252 AromaticContact CE1-CG 3.59Å; F110-H252 AromaticContact CE1-ND1 3.9Å; F110-H252 AromaticContact CE1-NE2 3.84Å; F110-H252 HydrophobicContact CZ-CB 4.11Å; F110-H252 AromaticContact CZ-CD2 3.8Å; D226-H252 WeakPolarHBondContact CB-NE2 3.3Å; D226-H252 IonicContact OD1-CD2 2.87Å; D226-H252 IonicContact OD1-CE1 2.63Å; D226-H252 IonicContact OD1-NE2 2.79Å; D226-H252 PolarHBondContact OD1-NE2 3.48Å; I248-H252 HydrophobicContact CG2-CB 4.03Å; N249-H252 PolarHBondContact O-N 3.46Å; Q250-H252 PolarHBondContact O-N 3.27Å; Q250-H252 VanDerWaalsContact O-N 3.16Å; H252-D254 PolarHBondContact O-N 3.11Å; H252-D254 VanDerWaalsContact O-N 3.11Å; H252-K255 HydrophobicContact CB-CD 4.13Å; H252-K255 HydrophobicContact CB-CG 4.37Å; H252-K255 WeakPolarHBondContact ND1-CE 3.42Å; H252-K255 WeakPolarHBondContact O-CB 3.39Å; H252-K255 PolarHBondContact O-N 2.9Å |
| 253 | F | 97.5 | Very high | 96.9 | Very high | 49 Ų | 49 | 44.6 Ų | 44.6 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -11.2 | 178.4 | -68.1 | -12.2 | 0 | 0 | 0 | 113.9 | Q91 E92 I248 Q250 P281 D282 A283 | Q91-F253 HydrophobicContact CB-CE2 4.33Å; Q91-F253 HydrophobicContact CB-CZ 4.41Å; Q91-F253 WeakPolarHBondContact O-CZ 3.44Å; E92-F253 HydrophobicContact CB-CZ 4.37Å; E92-F253 HydrophobicContact CG-CZ 3.8Å; I248-F253 HydrophobicContact CB-CE1 4.47Å; I248-F253 HydrophobicContact CG2-CD1 4.32Å; I248-F253 HydrophobicContact CG2-CE1 4.37Å; I248-F253 WeakPolarHBondContact O-CE1 3.34Å; Q250-F253 HydrophobicContact CB-CD2 4.05Å; Q250-F253 HydrophobicContact CB-CE1 4.49Å; Q250-F253 HydrophobicContact CB-CE2 3.65Å; Q250-F253 HydrophobicContact CB-CZ 3.89Å; Q250-F253 WeakPolarHBondContact O-CG 3.38Å; Q250-F253 PolarHBondContact O-N 3.18Å; F253-P281 WeakPolarHBondContact CD2-O 3.47Å; F253-D282 HydrophobicContact CD2-CB 4.38Å; F253-D282 HydrophobicContact CE2-CB 3.99Å; F253-D282 HydrophobicContact CZ-CB 4.13Å; F253-A283 HydrophobicContact CE1-CB 4.27Å |
| 254 | D | 95.8 | Very high | 96.8 | Very high | 135 Ų | 135 | 44.4 Ų | 44.4 | 72% | 0.722 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -14.4 | 171.4 | 69.7 | -36.9 | 0 | 0 | 0 | 113.2 | H252 | H252-D254 PolarHBondContact O-N 3.11Å; H252-D254 VanDerWaalsContact O-N 3.11Å |
| 255 | K | 95.3 | Very high | 96.7 | Very high | 76 Ų | 76 | 45.2 Ų | 45.2 | 33% | 0.33 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -76.2 | 147.3 | 176.8 | -62.9 | -171.1 | -177.6 | -63.9 | 0 | 111 | T109 F110 H252 W286 | T109-K255 HydrophobicContact CG2-CB 4.48Å; F110-K255 HydrophobicContact CD1-CD 4.19Å; F110-K255 HydrophobicContact CE1-CD 3.86Å; H252-K255 HydrophobicContact CB-CD 4.13Å; H252-K255 HydrophobicContact CB-CG 4.37Å; H252-K255 WeakPolarHBondContact ND1-CE 3.42Å; H252-K255 WeakPolarHBondContact O-CB 3.39Å; H252-K255 PolarHBondContact O-N 2.9Å; K255-W286 HydrophobicContact CB-CH2 4.48Å; K255-W286 HydrophobicContact CB-CZ2 4.31Å; K255-W286 VanDerWaalsContact O-CH2 3.29Å; K255-W286 WeakPolarHBondContact O-CH2 3.32Å |
| 256 | K | 93.7 | Very high | 96.6 | Very high | 170 Ų | 170 | 48.8 Ų | 48.8 | 74% | 0.739 | 25% | 0.245 | S | C | * | . | P | Polyproline II helix | trans | -81.5 | 136 | 171.1 | -67.9 | -175.1 | 178.9 | -177.8 | 0 | 109.9 | G258 | K256-G258 PolarHBondContact O-N 2.87Š|
| 257 | P | 96.9 | Very high | 96.4 | Very high | 10 Ų | 10 | 50.2 Ų | 50.2 | 7% | 0.065 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -54 | 128.7 | 170.1 | -22.5 | 28.9 | 0 | 0 | 0 | 111.6 | L259 F277 G285 W286 | P257-L259 VanDerWaalsContact C-N 3.25Å; P257-L259 PolarHBondContact O-N 3.44Å; P257-F277 HydrophobicContact CG-CE1 4.17Å; P257-F277 HydrophobicContact CG-CZ 4.37Å; P257-G285 WeakPolarHBondContact CG-O 3.5Å; P257-W286 HydrophobicContact CB-CD2 4.17Å; P257-W286 HydrophobicContact CB-CG 4.04Å; P257-W286 HydrophobicContact CG-CD2 3.9Å; P257-W286 HydrophobicContact CG-CE3 4.22Å; P257-W286 HydrophobicContact CG-CG 4.19Å; P257-W286 HydrophobicContact CG-CZ2 4.39Å |
| 258 | G | 95.8 | Very high | 96.1 | Very high | 37 Ų | 37 | 54.9 Ų | 54.9 | 38% | 0.381 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -65.7 | -29.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T109 K256 | T109-G258 PolarHBondContact OG1-N 3.3Å; K256-G258 PolarHBondContact O-N 2.87Å |
| 259 | L | 96.3 | Very high | 95.9 | Very high | 72 Ų | 72 | 56.1 Ų | 56.1 | 38% | 0.377 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -118.2 | 86.7 | 170.2 | -58.5 | -179.7 | 0 | 0 | 0 | 108.2 | H104 A108 P257 I288 | H104-L259 HydrophobicContact CB-CD1 4.33Å; A108-L259 HydrophobicContact CB-CD2 4.19Å; A108-L259 HydrophobicContact CB-CG 3.87Å; P257-L259 VanDerWaalsContact C-N 3.25Å; P257-L259 PolarHBondContact O-N 3.44Å; L259-I288 HydrophobicContact CB-CD1 3.8Å; L259-I288 HydrophobicContact CB-CG1 4.41Å; L259-I288 HydrophobicContact CD1-CD1 4.22Å |
| 260 | A | 95.8 | Very high | 95.6 | Very high | 56 Ų | 56 | 56.5 Ų | 56.5 | 46% | 0.463 | 29% | 0.287 | S | S | . | . | trans | -76.2 | 145 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F277 | A260-F277 HydrophobicContact CB-CD1 3.92Å; A260-F277 HydrophobicContact CB-CE1 3.68Å; A260-F277 HydrophobicContact CB-CE2 4.37Å; A260-F277 HydrophobicContact CB-CG 4.36Å; A260-F277 HydrophobicContact CB-CZ 3.94Å | ||
| 261 | G | 94.8 | Very high | 95.4 | Very high | 14 Ų | 14 | 57.7 Ų | 57.7 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | trans | -152.3 | 168.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F263 G264 F277 I288 | G261-F263 VanDerWaalsContact C-N 3.31Å; G261-F263 PolarHBondContact O-N 3.41Å; G261-G264 PolarHBondContact O-N 3.33Å; G261-F277 VanDerWaalsContact O-CE2 3.28Å; G261-F277 WeakPolarHBondContact O-CE2 3.39Å; G261-I288 CarbonylContact C-O 3.59Å; G261-I288 VanDerWaalsContact C-O 3.26Å; G261-I288 WeakPolarHBondContact CA-O 3.49Å | ||
| 262 | W | 94.6 | Very high | 95.3 | Very high | 118 Ų | 118 | 58.3 Ų | 58.3 | 45% | 0.447 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -65.3 | -29.8 | -161.9 | 75.7 | -52.5 | 0 | 0 | 0 | 114.8 | G264 N265 L273 I288 S290 | W262-G264 PolarHBondContact O-N 3.24Å; W262-N265 WeakPolarHBondContact O-CB 3.41Å; W262-N265 PolarHBondContact O-N 3.45Å; W262-N265 PolarHBondContact O-ND2 3.23Å; W262-L273 HydrophobicContact CE3-CD2 4.25Å; W262-L273 HydrophobicContact CZ3-CD2 4.1Å; W262-I288 PolarHBondContact N-O 3.44Å; W262-S290 WeakPolarHBondContact CZ2-OG 3.5Å |
| 263 | F | 95.3 | Very high | 95 | Very high | 5 Ų | 5 | 63 Ų | 63 | 2% | 0.022 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -75.2 | -11.1 | 174.5 | -98.1 | -100.4 | 0 | 0 | 0 | 113.8 | W68 G261 Q287 G289 S290 P291 | W68-F263 HydrophobicContact CH2-CZ 4.46Å; W68-F263 HydrophobicContact CZ3-CE1 4.38Å; W68-F263 AromaticContact CZ3-CZ 3.98Å; W68-F263 HydrophobicContact CZ3-CZ 3.98Å; G261-F263 VanDerWaalsContact C-N 3.31Å; G261-F263 PolarHBondContact O-N 3.41Å; F263-Q287 HydrophobicContact CB-CB 4.06Å; F263-G289 WeakPolarHBondContact CB-O 3.23Å; F263-S290 VanDerWaalsContact CD2-CA 3.42Å; F263-S290 VanDerWaalsContact CE2-CA 3.44Å; F263-S290 VanDerWaalsContact CE2-CB 3.48Å; F263-S290 WeakPolarHBondContact CE2-OG 3.43Å; F263-P291 HydrophobicContact CD1-CG 4.38Å; F263-P291 HydrophobicContact CE1-CG 3.93Å |
| 264 | G | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -77.6 | -8.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G261 W262 P279 Q280 G285 Q287 | G261-G264 PolarHBondContact O-N 3.33Å; W262-G264 PolarHBondContact O-N 3.24Å; G264-P279 CarbonylContact O-C 3.2Å; G264-P279 VanDerWaalsContact O-CA 3.3Å; G264-P279 WeakPolarHBondContact O-CA 2.87Å; G264-Q280 PolarHBondContact O-N 2.91Å; G264-G285 WeakPolarHBondContact CA-O 2.93Å; G264-G285 WeakPolarHBondContact O-CA 3.1Å; G264-Q287 WeakPolarHBondContact CA-O 3.26Å; G264-Q287 PolarHBondContact N-O 3.37Å |
| 265 | N | 96.2 | Very high | 94.8 | Very high | 19 Ų | 19 | 70 Ų | 70 | 10% | 0.102 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -69.2 | 158.5 | 175.2 | -76.6 | -77.5 | 0 | 0 | 0 | 111.4 | W262 N267 Q270 F277 D278 | W262-N265 WeakPolarHBondContact O-CB 3.41Å; W262-N265 PolarHBondContact O-N 3.45Å; W262-N265 PolarHBondContact O-ND2 3.23Å; N265-N267 PolarHBondContact O-N 3.01Å; N265-Q270 HydrophobicContact CB-CB 3.83Å; N265-F277 VanDerWaalsContact OD1-CD2 3.3Å; N265-F277 WeakPolarHBondContact OD1-CD2 3.34Å; N265-D278 CarbonylContact C-O 3.5Å; N265-D278 WeakPolarHBondContact CA-O 3.23Å; N265-D278 PolarHBondContact OD1-N 2.94Å; N265-D278 PolarHBondContact OD1-O 3.2Å |
| 266 | R | 95.7 | Very high | 94.7 | Very high | 75 Ų | 75 | 74.2 Ų | 74.2 | 28% | 0.283 | 37% | 0.368 | S | S | . | . | trans | -55.4 | 139.1 | 172.7 | -61.9 | 175.5 | 56.5 | 86 | 2.8 | 112.1 | D268 T269 Q270 D278 P279 | R266-D268 WeakPolarHBondContact CB-OD1 3.22Å; R266-D268 IonicContact CZ-OD1 3.65Å; R266-D268 IonicContact CZ-OD2 2.88Å; R266-D268 IonicContact NE-OD1 3.35Å; R266-D268 PolarHBondContact NE-OD1 3.26Å; R266-D268 IonicContact NE-OD2 3.67Å; R266-D268 IonicContact NH2-OD1 3.19Å; R266-D268 IonicContact NH2-OD2 3.4Å; R266-D268 PolarHBondContact NH2-OD2 3.05Å; R266-D268 PolarHBondContact O-N 3.43Å; R266-T269 PolarHBondContact O-N 3.02Å; R266-T269 VanDerWaalsContact O-N 3.11Å; R266-Q270 WeakPolarHBondContact O-CB 3.32Å; R266-Q270 PolarHBondContact O-N 3.43Å; R266-D278 VanDerWaalsContact CD-OD2 3.28Å; R266-D278 WeakPolarHBondContact CD-OD2 3.3Å; R266-D278 PolarHBondContact N-O 2.87Å; R266-P279 WeakPolarHBondContact CG-O 2.96Å | ||
| 267 | N | 93.8 | Very high | 94.8 | Very high | 30 Ų | 30 | 69.2 Ų | 69.2 | 16% | 0.16 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -34.7 | -176.9 | -70.1 | -25.3 | 0 | 0 | 0 | 113.9 | Y72 I73 E76 N265 Q270 Q280 | Y72-N267 HydrophobicContact CE2-CB 4.08Å; I73-N267 HydrophobicContact CG2-CB 4.33Å; I73-N267 WeakPolarHBondContact CG2-ND2 3.25Å; E76-N267 PolarHBondContact OE1-ND2 3.45Å; N265-N267 PolarHBondContact O-N 3.01Å; N267-Q270 PolarHBondContact OD1-NE2 2.88Å; N267-Q280 PolarHBondContact ND2-NE2 2.84Å |
| 268 | D | 93.1 | Very high | 94.6 | Very high | 98 Ų | 98 | 72.1 Ų | 72.1 | 52% | 0.524 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -18.5 | -178.3 | 56.7 | -4.7 | 0 | 0 | 0 | 113.8 | R266 Q272 | R266-D268 WeakPolarHBondContact CB-OD1 3.22Å; R266-D268 IonicContact CZ-OD1 3.65Å; R266-D268 IonicContact CZ-OD2 2.88Å; R266-D268 IonicContact NE-OD1 3.35Å; R266-D268 PolarHBondContact NE-OD1 3.26Å; R266-D268 IonicContact NE-OD2 3.67Å; R266-D268 IonicContact NH2-OD1 3.19Å; R266-D268 IonicContact NH2-OD2 3.4Å; R266-D268 PolarHBondContact NH2-OD2 3.05Å; R266-D268 PolarHBondContact O-N 3.43Å; D268-Q272 PolarHBondContact O-NE2 3.21Å |
| 269 | T | 93.5 | Very high | 94.6 | Very high | 26 Ų | 26 | 72.3 Ų | 72.3 | 16% | 0.16 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | -15.8 | -177.4 | 64.9 | 0 | 0 | 0 | 0 | 114.7 | R266 F271 Q272 | R266-T269 PolarHBondContact O-N 3.02Å; R266-T269 VanDerWaalsContact O-N 3.11Å; T269-F271 VanDerWaalsContact C-N 3.31Å; T269-F271 PolarHBondContact O-N 2.95Å; T269-Q272 WeakPolarHBondContact O-CB 3.43Å; T269-Q272 WeakPolarHBondContact O-CG 3.37Å; T269-Q272 PolarHBondContact O-N 3.36Å |
| 270 | Q | 93.3 | Very high | 94.6 | Very high | 7 Ų | 7 | 69.9 Ų | 69.9 | 3% | 0.033 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -56.9 | -39 | -172 | 75 | -174.1 | -53 | 0 | 0 | 114.1 | N265 R266 N267 Q272 L273 | N265-Q270 HydrophobicContact CB-CB 3.83Å; R266-Q270 WeakPolarHBondContact O-CB 3.32Å; R266-Q270 PolarHBondContact O-N 3.43Å; N267-Q270 PolarHBondContact OD1-NE2 2.88Å; Q270-Q272 PolarHBondContact O-N 3Å; Q270-L273 PolarHBondContact O-N 3.25Å; Q270-L273 VanDerWaalsContact O-N 3.17Å |
| 271 | F | 93.6 | Very high | 94.6 | Very high | 107 Ų | 107 | 70.8 Ų | 70.8 | 47% | 0.469 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -79.9 | 0.4 | -179.9 | -65.3 | -70.8 | 0 | 0 | 0 | 113.8 | Y72 T269 | Y72-F271 AromaticContact CD1-CE2 3.94Å; Y72-F271 HydrophobicContact CD1-CE2 3.94Å; Y72-F271 HydrophobicContact CD1-CZ 4.2Å; Y72-F271 AromaticContact CD2-CE2 3.73Å; Y72-F271 HydrophobicContact CD2-CE2 3.73Å; Y72-F271 HydrophobicContact CD2-CZ 4.16Å; Y72-F271 HydrophobicContact CE1-CE2 4.1Å; Y72-F271 AromaticContact CE2-CE2 3.86Å; Y72-F271 HydrophobicContact CE2-CE2 3.86Å; Y72-F271 AromaticContact CG-CE2 3.72Å; Y72-F271 HydrophobicContact CG-CE2 3.72Å; Y72-F271 AromaticContact CG-CZ 3.83Å; Y72-F271 HydrophobicContact CG-CZ 3.83Å; T269-F271 VanDerWaalsContact C-N 3.31Å; T269-F271 PolarHBondContact O-N 2.95Å |
| 272 | Q | 94.8 | Very high | 94.7 | Very high | 104 Ų | 104 | 71.1 Ų | 71.1 | 49% | 0.486 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -77.8 | -10.4 | 166.8 | -54.8 | 176.2 | 17.6 | 0 | 0 | 111.5 | D268 T269 Q270 K274 | D268-Q272 PolarHBondContact O-NE2 3.21Å; T269-Q272 WeakPolarHBondContact O-CB 3.43Å; T269-Q272 WeakPolarHBondContact O-CG 3.37Å; T269-Q272 PolarHBondContact O-N 3.36Å; Q270-Q272 PolarHBondContact O-N 3Å; Q272-K274 HydrophobicContact CB-CG 4.23Å; Q272-K274 PolarHBondContact O-N 3.1Å; Q272-K274 VanDerWaalsContact O-N 3.13Å |
| 273 | L | 92.7 | Very high | 94.9 | Very high | 116 Ų | 116 | 65.5 Ų | 65.5 | 61% | 0.607 | 32% | 0.32 | S | S | * | . | trans | 52.4 | 36.1 | 174.6 | -54.8 | 178 | 0 | 0 | 0 | 113.5 | W262 Q270 | W262-L273 HydrophobicContact CE3-CD2 4.25Å; W262-L273 HydrophobicContact CZ3-CD2 4.1Å; Q270-L273 PolarHBondContact O-N 3.25Å; Q270-L273 VanDerWaalsContact O-N 3.17Å | ||
| 274 | K | 94 | Very high | 94.9 | Very high | 131 Ų | 131 | 65.6 Ų | 65.6 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | trans | -67.4 | 143.8 | 175.2 | -66.6 | 176.7 | 179.8 | 164.1 | 0 | 109.6 | Q272 Q276 | Q272-K274 HydrophobicContact CB-CG 4.23Å; Q272-K274 PolarHBondContact O-N 3.1Å; Q272-K274 VanDerWaalsContact O-N 3.13Å; K274-Q276 VanDerWaalsContact C-N 3.26Å; K274-Q276 PolarHBondContact O-N 3.37Å | ||
| 275 | H | 94.4 | Very high | 95 | Very high | 200 Ų | 200 | 65.6 Ų | 65.6 | 93% | 0.926 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -75.2 | -16 | 176.2 | -66.6 | 179.3 | 0 | 0 | 0 | 113.4 | ||
| 276 | Q | 94.5 | Very high | 95 | Very high | 164 Ų | 164 | 64.8 Ų | 64.8 | 77% | 0.766 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -83.2 | 116.6 | 174.7 | -176.2 | 173.6 | 5.8 | 0 | 0 | 109.3 | K274 D278 | K274-Q276 VanDerWaalsContact C-N 3.26Å; K274-Q276 PolarHBondContact O-N 3.37Å; Q276-D278 PolarHBondContact O-N 3.13Å |
| 277 | F | 94.5 | Very high | 95.1 | Very high | 65 Ų | 65 | 61.9 Ų | 61.9 | 29% | 0.285 | 31% | 0.307 | S | S | . | . | trans | -67.7 | 125.6 | 175.5 | -174.5 | -119.7 | 0 | 0 | 0 | 110.7 | P257 A260 G261 N265 P279 | P257-F277 HydrophobicContact CG-CE1 4.17Å; P257-F277 HydrophobicContact CG-CZ 4.37Å; A260-F277 HydrophobicContact CB-CD1 3.92Å; A260-F277 HydrophobicContact CB-CE1 3.68Å; A260-F277 HydrophobicContact CB-CE2 4.37Å; A260-F277 HydrophobicContact CB-CG 4.36Å; A260-F277 HydrophobicContact CB-CZ 3.94Å; G261-F277 VanDerWaalsContact O-CE2 3.28Å; G261-F277 WeakPolarHBondContact O-CE2 3.39Å; N265-F277 VanDerWaalsContact OD1-CD2 3.3Å; N265-F277 WeakPolarHBondContact OD1-CD2 3.34Å; F277-P279 HydrophobicContact CD1-CB 4.38Å; F277-P279 HydrophobicContact CD1-CG 4.48Å; F277-P279 HydrophobicContact CE1-CB 3.65Å; F277-P279 HydrophobicContact CE1-CG 4.15Å; F277-P279 HydrophobicContact CZ-CB 3.88Å | ||
| 278 | D | 94.5 | Very high | 95.1 | Very high | 70 Ų | 70 | 63.8 Ų | 63.8 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | trans | -125.6 | 86.8 | -179.6 | -177.2 | 17.1 | 0 | 0 | 0 | 107.4 | N265 R266 Q276 | N265-D278 CarbonylContact C-O 3.5Å; N265-D278 WeakPolarHBondContact CA-O 3.23Å; N265-D278 PolarHBondContact OD1-N 2.94Å; N265-D278 PolarHBondContact OD1-O 3.2Å; R266-D278 VanDerWaalsContact CD-OD2 3.28Å; R266-D278 WeakPolarHBondContact CD-OD2 3.3Å; R266-D278 PolarHBondContact N-O 2.87Å; Q276-D278 PolarHBondContact O-N 3.13Å | ||
| 279 | P | 95.4 | Very high | 95.2 | Very high | 41 Ų | 41 | 60.7 Ų | 60.7 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | B | Isolated β-bridge | trans | -63.8 | 144.8 | -169.4 | 24 | -32.1 | 0 | 0 | 0 | 111.9 | G264 R266 F277 | G264-P279 CarbonylContact O-C 3.2Å; G264-P279 VanDerWaalsContact O-CA 3.3Å; G264-P279 WeakPolarHBondContact O-CA 2.87Å; R266-P279 WeakPolarHBondContact CG-O 2.96Å; F277-P279 HydrophobicContact CD1-CB 4.38Å; F277-P279 HydrophobicContact CD1-CG 4.48Å; F277-P279 HydrophobicContact CE1-CB 3.65Å; F277-P279 HydrophobicContact CE1-CG 4.15Å; F277-P279 HydrophobicContact CZ-CB 3.88Å |
| 280 | Q | 96.3 | Very high | 95.2 | Very high | 22 Ų | 22 | 62 Ų | 62 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | trans | -58.4 | 134.8 | 167.7 | -173.5 | 70.4 | -38.9 | 0 | 0 | 109.4 | G264 N267 D282 | G264-Q280 PolarHBondContact O-N 2.91Å; N267-Q280 PolarHBondContact ND2-NE2 2.84Å; Q280-D282 WeakPolarHBondContact CG-OD1 3.24Å; Q280-D282 PolarHBondContact O-N 3.24Å | ||
| 281 | P | 95.4 | Very high | 95.3 | Very high | 74 Ų | 74 | 62.2 Ų | 62.2 | 48% | 0.481 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -81.8 | 41.7 | -172.9 | 36.8 | -36.5 | 0 | 0 | 0 | 112.1 | F253 | F253-P281 WeakPolarHBondContact CD2-O 3.47Š|
| 282 | D | 97.2 | Very high | 95.4 | Very high | 21 Ų | 21 | 60.5 Ų | 60.5 | 11% | 0.112 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -156.3 | -176 | 176.9 | 66.1 | 37.4 | 0 | 0 | 0 | 110.2 | Q91 F253 Q280 S284 G285 | Q91-D282 HydrophobicContact CB-CB 3.89Å; Q91-D282 HydrophobicContact CG-CB 4.4Å; Q91-D282 WeakPolarHBondContact O-CB 3.43Å; F253-D282 HydrophobicContact CD2-CB 4.38Å; F253-D282 HydrophobicContact CE2-CB 3.99Å; F253-D282 HydrophobicContact CZ-CB 4.13Å; Q280-D282 WeakPolarHBondContact CG-OD1 3.24Å; Q280-D282 PolarHBondContact O-N 3.24Å; D282-S284 PolarHBondContact O-N 3.26Å; D282-S284 VanDerWaalsContact O-N 3.07Å; D282-S284 WeakPolarHBondContact OD1-CA 3.15Å; D282-S284 WeakPolarHBondContact OD1-CB 3.49Å; D282-S284 PolarHBondContact OD1-N 2.64Å; D282-S284 PolarHBondContact OD1-OG 2.6Å; D282-G285 PolarHBondContact O-N 3.23Å |
| 283 | A | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -59.6 | -21.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q91 T94 I248 F253 G285 W286 | Q91-A283 WeakPolarHBondContact O-CB 3.44Å; Q91-A283 PolarHBondContact O-N 3.24Å; T94-A283 WeakPolarHBondContact CB-O 3.37Å; T94-A283 HydrophobicContact CG2-CB 4.48Å; T94-A283 VanDerWaalsContact CG2-O 3.29Å; T94-A283 WeakPolarHBondContact CG2-O 3.43Å; I248-A283 HydrophobicContact CB-CB 4.22Å; I248-A283 HydrophobicContact CG1-CB 4.46Å; F253-A283 HydrophobicContact CE1-CB 4.27Å; A283-G285 PolarHBondContact O-N 3.19Å; A283-G285 VanDerWaalsContact O-N 3.12Å; A283-W286 PolarHBondContact O-N 2.89Å |
| 284 | S | 96.5 | Very high | 95.6 | Very high | 7 Ų | 7 | 55 Ų | 55 | 5% | 0.049 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -62.2 | -19.1 | 175.6 | -42.7 | 0 | 0 | 0 | 0 | 112.3 | D282 W286 Q287 | D282-S284 PolarHBondContact O-N 3.26Å; D282-S284 VanDerWaalsContact O-N 3.07Å; D282-S284 WeakPolarHBondContact OD1-CA 3.15Å; D282-S284 WeakPolarHBondContact OD1-CB 3.49Å; D282-S284 PolarHBondContact OD1-N 2.64Å; D282-S284 PolarHBondContact OD1-OG 2.6Å; S284-W286 PolarHBondContact O-N 2.79Å; S284-Q287 WeakPolarHBondContact O-CB 3.43Å; S284-Q287 WeakPolarHBondContact O-CG 3.32Å; S284-Q287 PolarHBondContact O-N 3.08Å; S284-Q287 VanDerWaalsContact O-N 3.13Å; S284-Q287 PolarHBondContact O-NE2 3.5Å |
| 285 | G | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -59.2 | -22.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114 | P257 G264 D282 A283 Q287 | P257-G285 WeakPolarHBondContact CG-O 3.5Å; G264-G285 WeakPolarHBondContact CA-O 2.93Å; G264-G285 WeakPolarHBondContact O-CA 3.1Å; D282-G285 PolarHBondContact O-N 3.23Å; A283-G285 PolarHBondContact O-N 3.19Å; A283-G285 VanDerWaalsContact O-N 3.12Å; G285-Q287 VanDerWaalsContact C-N 3.34Å |
| 286 | W | 97.3 | Very high | 95.9 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 1% | 0.011 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -87.2 | 5 | 178.2 | -80.5 | -103.9 | 0 | 0 | 0 | 114.3 | T109 L246 I248 K255 P257 A283 S284 | T109-W286 HydrophobicContact CG2-CZ2 3.61Å; T109-W286 VanDerWaalsContact CG2-NE1 3.35Å; T109-W286 PolarHBondContact OG1-NE1 3.33Å; L246-W286 HydrophobicContact CD2-CB 3.76Å; L246-W286 HydrophobicContact CD2-CG 4.23Å; I248-W286 HydrophobicContact CG1-CD2 4.13Å; I248-W286 HydrophobicContact CG1-CE3 4.34Å; I248-W286 HydrophobicContact CG1-CG 4.4Å; I248-W286 HydrophobicContact CG2-CH2 4.3Å; I248-W286 HydrophobicContact CG2-CZ2 4.49Å; I248-W286 HydrophobicContact CG2-CZ3 4.41Å; K255-W286 HydrophobicContact CB-CH2 4.48Å; K255-W286 HydrophobicContact CB-CZ2 4.31Å; K255-W286 VanDerWaalsContact O-CH2 3.29Å; K255-W286 WeakPolarHBondContact O-CH2 3.32Å; P257-W286 HydrophobicContact CB-CD2 4.17Å; P257-W286 HydrophobicContact CB-CG 4.04Å; P257-W286 HydrophobicContact CG-CD2 3.9Å; P257-W286 HydrophobicContact CG-CE3 4.22Å; P257-W286 HydrophobicContact CG-CG 4.19Å; P257-W286 HydrophobicContact CG-CZ2 4.39Å; A283-W286 PolarHBondContact O-N 2.89Å; S284-W286 PolarHBondContact O-N 2.79Å |
| 287 | Q | 96.6 | Very high | 96.1 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | trans | -69.6 | 133.1 | 169.9 | -68 | 179.5 | 95.4 | 0 | 0 | 110.7 | T94 T96 F263 G264 S284 G285 | T94-Q287 VanDerWaalsContact OG1-CG 3.23Å; T94-Q287 WeakPolarHBondContact OG1-CG 3.3Å; T96-Q287 HydrophobicContact CG2-CG 4.39Å; F263-Q287 HydrophobicContact CB-CB 4.06Å; G264-Q287 WeakPolarHBondContact CA-O 3.26Å; G264-Q287 PolarHBondContact N-O 3.37Å; S284-Q287 WeakPolarHBondContact O-CB 3.43Å; S284-Q287 WeakPolarHBondContact O-CG 3.32Å; S284-Q287 PolarHBondContact O-N 3.08Å; S284-Q287 VanDerWaalsContact O-N 3.13Å; S284-Q287 PolarHBondContact O-NE2 3.5Å; G285-Q287 VanDerWaalsContact C-N 3.34Å | ||
| 288 | I | 95.6 | Very high | 96.2 | Very high | 70 Ų | 70 | 29.9 Ų | 29.9 | 36% | 0.359 | 18% | 0.178 | S | C | . | . | trans | -96.8 | -57.1 | -177.7 | -53.4 | 177.8 | 0 | 0 | 0 | 110.1 | L259 G261 W262 | L259-I288 HydrophobicContact CB-CD1 3.8Å; L259-I288 HydrophobicContact CB-CG1 4.41Å; L259-I288 HydrophobicContact CD1-CD1 4.22Å; G261-I288 CarbonylContact C-O 3.59Å; G261-I288 VanDerWaalsContact C-O 3.26Å; G261-I288 WeakPolarHBondContact CA-O 3.49Å; W262-I288 PolarHBondContact N-O 3.44Å | ||
| 289 | G | 94.2 | Very high | 96.4 | Very high | 33 Ų | 33 | 26.5 Ų | 26.5 | 34% | 0.34 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -114.2 | 179.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | F263 | F263-G289 WeakPolarHBondContact CB-O 3.23Š|
| 290 | S | 94.4 | Very high | 96.5 | Very high | 54 Ų | 54 | 25.5 Ų | 25.5 | 38% | 0.378 | 15% | 0.152 | S | C | . | . | trans | -59.2 | 143.9 | 175.8 | -44.4 | 0 | 0 | 0 | 0 | 111.9 | W262 F263 | W262-S290 WeakPolarHBondContact CZ2-OG 3.5Å; F263-S290 VanDerWaalsContact CD2-CA 3.42Å; F263-S290 VanDerWaalsContact CE2-CA 3.44Å; F263-S290 VanDerWaalsContact CE2-CB 3.48Å; F263-S290 WeakPolarHBondContact CE2-OG 3.43Å | ||
| 291 | P | 94.7 | Very high | 96.5 | Very high | 11 Ų | 11 | 24.5 Ų | 24.5 | 7% | 0.071 | 15% | 0.147 | C | C | . | . | trans | -64.4 | 143.4 | -177.4 | 25.9 | -35.4 | 0 | 0 | 0 | 111.6 | W68 F263 I293 M296 | W68-P291 HydrophobicContact CH2-CG 4.34Å; W68-P291 HydrophobicContact CZ3-CG 4.09Å; F263-P291 HydrophobicContact CD1-CG 4.38Å; F263-P291 HydrophobicContact CE1-CG 3.93Å; P291-I293 VanDerWaalsContact C-N 3.27Å; P291-I293 HydrophobicContact CB-CD1 4.03Å; P291-I293 HydrophobicContact CG-CD1 3.72Å; P291-I293 HydrophobicContact CG-CG1 4.46Å; P291-I293 PolarHBondContact O-N 3.33Å; P291-M296 HydrophobicContact CB-CE 3.53Å; P291-M296 HydrophobicContact CB-SD 3.72Å | ||
| 292 | T | 95.6 | Very high | 96.6 | Very high | 72 Ų | 72 | 21 Ų | 21 | 44% | 0.442 | 13% | 0.125 | S | C | . | . | trans | -81.3 | 72.1 | 178.1 | 48.7 | 0 | 0 | 0 | 0 | 110.6 | T243 F294 S295 M296 | T243-T292 VanDerWaalsContact CB-OG1 3.31Å; T243-T292 WeakPolarHBondContact CB-OG1 3.33Å; T292-F294 VanDerWaalsContact C-N 3.34Å; T292-F294 PolarHBondContact O-N 3.15Å; T292-F294 VanDerWaalsContact O-N 3.13Å; T292-S295 WeakPolarHBondContact O-CA 3.29Å; T292-S295 WeakPolarHBondContact O-CB 3.46Å; T292-S295 PolarHBondContact O-N 3.25Å; T292-M296 PolarHBondContact O-N 3.1Å | ||
| 293 | I | 96.6 | Very high | 96.6 | Very high | 20 Ų | 20 | 20 Ų | 20 | 10% | 0.103 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -48.3 | -45.4 | -168.6 | -62.3 | -56.9 | 0 | 0 | 0 | 114.4 | M56 W68 L71 Y74 P291 S295 M296 A297 | M56-I293 HydrophobicContact CE-CG2 3.74Å; M56-I293 HydrophobicContact CG-CG2 3.5Å; M56-I293 VanDerWaalsContact CG-CG2 3.5Å; M56-I293 HydrophobicContact SD-CG2 3.41Å; M56-I293 WeakPolarHBondContact SD-CG2 3.38Å; W68-I293 HydrophobicContact CH2-CG1 4.23Å; L71-I293 HydrophobicContact CB-CD1 4.06Å; L71-I293 HydrophobicContact CD1-CG2 4.14Å; L71-I293 HydrophobicContact CD2-CG2 4.42Å; L71-I293 WeakPolarHBondContact O-CD1 3.4Å; Y74-I293 HydrophobicContact CD1-CD1 3.91Å; Y74-I293 HydrophobicContact CG-CD1 4.34Å; P291-I293 VanDerWaalsContact C-N 3.27Å; P291-I293 HydrophobicContact CB-CD1 4.03Å; P291-I293 HydrophobicContact CG-CD1 3.72Å; P291-I293 HydrophobicContact CG-CG1 4.46Å; P291-I293 PolarHBondContact O-N 3.33Å; I293-S295 VanDerWaalsContact C-N 3.33Å; I293-S295 PolarHBondContact O-N 2.95Å; I293-M296 PolarHBondContact O-N 2.82Å; I293-A297 WeakPolarHBondContact O-CB 3.35Å; I293-A297 PolarHBondContact O-N 3.43Å |
| 294 | F | 96.3 | Very high | 96.5 | Very high | 84 Ų | 84 | 24.1 Ų | 24.1 | 37% | 0.368 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -66.6 | -34.8 | 179.2 | -62.4 | -47 | 0 | 0 | 0 | 113 | M56 I57 W60 T292 A297 G298 | M56-F294 HydrophobicContact CB-CD1 4.19Å; M56-F294 HydrophobicContact CB-CE1 4.36Å; M56-F294 HydrophobicContact CG-CD1 3.78Å; M56-F294 HydrophobicContact CG-CE1 3.87Å; I57-F294 HydrophobicContact CG1-CD1 4.31Å; I57-F294 HydrophobicContact CG1-CE1 3.98Å; W60-F294 HydrophobicContact CB-CZ 4.47Å; W60-F294 HydrophobicContact CD2-CZ 4.05Å; W60-F294 HydrophobicContact CE3-CE1 4.44Å; W60-F294 HydrophobicContact CE3-CE2 4.11Å; W60-F294 AromaticContact CE3-CZ 3.45Å; W60-F294 HydrophobicContact CE3-CZ 3.45Å; W60-F294 VanDerWaalsContact CE3-CZ 3.45Å; W60-F294 HydrophobicContact CZ3-CE2 4.13Å; W60-F294 AromaticContact CZ3-CZ 3.93Å; W60-F294 HydrophobicContact CZ3-CZ 3.93Å; T292-F294 VanDerWaalsContact C-N 3.34Å; T292-F294 PolarHBondContact O-N 3.15Å; T292-F294 VanDerWaalsContact O-N 3.13Å; F294-A297 PolarHBondContact O-N 2.8Å; F294-G298 PolarHBondContact O-N 2.95Å |
| 295 | S | 96.9 | Very high | 96.5 | Very high | 31 Ų | 31 | 24.3 Ų | 24.3 | 22% | 0.217 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69 | -43.5 | 174.5 | -179.5 | 0 | 0 | 0 | 0 | 111.3 | S242 T243 T292 I293 A297 G298 L299 | S242-S295 WeakPolarHBondContact CA-OG 3.44Å; S242-S295 WeakPolarHBondContact CB-OG 3.48Å; T243-S295 PolarHBondContact N-OG 2.88Å; T292-S295 WeakPolarHBondContact O-CA 3.29Å; T292-S295 WeakPolarHBondContact O-CB 3.46Å; T292-S295 PolarHBondContact O-N 3.25Å; I293-S295 VanDerWaalsContact C-N 3.33Å; I293-S295 PolarHBondContact O-N 2.95Å; S295-A297 VanDerWaalsContact C-N 3.28Å; S295-A297 PolarHBondContact O-N 3.26Å; S295-G298 PolarHBondContact O-N 3.09Å; S295-L299 PolarHBondContact O-N 3.24Å; S295-L299 VanDerWaalsContact O-N 3.1Å |
| 296 | M | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.9 | -36.9 | 174 | -72.4 | -178.1 | 174.5 | 0 | 0 | 112.3 | Y74 I78 V95 T243 P291 T292 I293 L299 E300 | Y74-M296 HydrophobicContact CD1-CB 3.67Å; Y74-M296 HydrophobicContact CD1-CG 4.44Å; Y74-M296 HydrophobicContact CD1-SD 3.89Å; Y74-M296 HydrophobicContact CE1-CB 3.49Å; Y74-M296 VanDerWaalsContact CE1-CB 3.49Å; I78-M296 HydrophobicContact CD1-CB 4.42Å; I78-M296 HydrophobicContact CG1-CB 4Å; I78-M296 HydrophobicContact CG1-CG 4.25Å; I78-M296 HydrophobicContact CG1-SD 4.43Å; V95-M296 HydrophobicContact CB-CE 4.2Å; V95-M296 HydrophobicContact CG1-CE 4.21Å; V95-M296 WeakPolarHBondContact O-CE 3.47Å; T243-M296 HydrophobicContact CG2-CG 3.8Å; P291-M296 HydrophobicContact CB-CE 3.53Å; P291-M296 HydrophobicContact CB-SD 3.72Å; T292-M296 PolarHBondContact O-N 3.1Å; I293-M296 PolarHBondContact O-N 2.82Å; M296-L299 PolarHBondContact O-N 3.18Å; M296-E300 PolarHBondContact O-N 2.93Å |
| 297 | A | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.1 | -46.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S52 I53 M56 Y74 I293 F294 S295 L299 E300 G301 | S52-A297 WeakPolarHBondContact CB-O 3.35Å; S52-A297 PolarHBondContact OG-O 3.48Å; I53-A297 HydrophobicContact CG1-CB 4.44Å; M56-A297 HydrophobicContact CB-CB 3.84Å; M56-A297 HydrophobicContact CE-CB 4.22Å; M56-A297 HydrophobicContact CG-CB 4.16Å; Y74-A297 WeakPolarHBondContact OH-CA 3.28Å; I293-A297 WeakPolarHBondContact O-CB 3.35Å; I293-A297 PolarHBondContact O-N 3.43Å; F294-A297 PolarHBondContact O-N 2.8Å; S295-A297 VanDerWaalsContact C-N 3.28Å; S295-A297 PolarHBondContact O-N 3.26Å; A297-L299 VanDerWaalsContact C-N 3.32Å; A297-L299 PolarHBondContact O-N 2.94Å; A297-E300 WeakPolarHBondContact O-CB 3.27Å; A297-E300 PolarHBondContact O-N 3.05Å; A297-G301 PolarHBondContact O-N 2.95Å |
| 298 | G | 97 | Very high | 96.5 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59 | -44.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A49 F294 S295 E300 G301 S302 | A49-G298 WeakPolarHBondContact CA-O 3.09Å; A49-G298 WeakPolarHBondContact CB-O 3.3Å; F294-G298 PolarHBondContact O-N 2.95Å; S295-G298 PolarHBondContact O-N 3.09Å; G298-E300 PolarHBondContact O-N 2.89Å; G298-G301 PolarHBondContact O-N 3.18Å; G298-S302 PolarHBondContact O-N 3.17Å |
| 299 | L | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.9 | -40.2 | 175.7 | -178.6 | 57.8 | 0 | 0 | 0 | 112.7 | I78 M82 V95 T232 S295 M296 A297 G301 S302 L303 | I78-L299 HydrophobicContact CG2-CD2 3.71Å; I78-L299 HydrophobicContact CG2-CG 4.13Å; M82-L299 HydrophobicContact CE-CD2 4.1Å; V95-L299 HydrophobicContact CG1-CD2 4.2Å; T232-L299 HydrophobicContact CG2-CD1 4.22Å; T232-L299 HydrophobicContact CG2-CD2 3.77Å; S295-L299 PolarHBondContact O-N 3.24Å; S295-L299 VanDerWaalsContact O-N 3.1Å; M296-L299 PolarHBondContact O-N 3.18Å; A297-L299 VanDerWaalsContact C-N 3.32Å; A297-L299 PolarHBondContact O-N 2.94Å; L299-G301 VanDerWaalsContact C-N 3.32Å; L299-G301 PolarHBondContact O-N 3.04Å; L299-S302 PolarHBondContact O-N 2.84Å; L299-L303 HydrophobicContact CD1-CD1 3.96Å; L299-L303 HydrophobicContact CD1-CD2 4.23Å; L299-L303 HydrophobicContact CD1-CG 3.76Å; L299-L303 HydrophobicContact CD2-CD1 4.31Å; L299-L303 HydrophobicContact CG-CD1 3.71Å; L299-L303 HydrophobicContact CG-CG 4.01Å; L299-L303 WeakPolarHBondContact O-CB 3.42Å; L299-L303 VanDerWaalsContact O-CG 3.31Å; L299-L303 WeakPolarHBondContact O-CG 3.35Å; L299-L303 PolarHBondContact O-N 3.31Å |
| 300 | E | 97.8 | Very high | 96.6 | Very high | 20 Ų | 20 | 30.4 Ų | 30.4 | 9% | 0.093 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -53.9 | -50.2 | 175.2 | -175.4 | -175.4 | 156.6 | 0 | 0 | 110.9 | Y74 K77 I78 L81 M296 A297 G298 S302 L303 Q304 | Y74-E300 WeakPolarHBondContact CE2-OE2 3.37Å; Y74-E300 VanDerWaalsContact CZ-OE2 3.29Å; Y74-E300 PolarHBondContact OH-OE2 2.72Å; K77-E300 VanDerWaalsContact CE-OE1 3.31Å; K77-E300 WeakPolarHBondContact CE-OE1 3.37Å; K77-E300 IonicContact NZ-OE1 3.18Å; K77-E300 PolarHBondContact NZ-OE1 2.63Å; K77-E300 IonicContact NZ-OE2 3.83Å; K77-E300 PolarHBondContact NZ-OE2 2.88Å; I78-E300 HydrophobicContact CD1-CB 3.74Å; I78-E300 HydrophobicContact CD1-CG 4.28Å; L81-E300 HydrophobicContact CD1-CG 3.8Å; M296-E300 PolarHBondContact O-N 2.93Å; A297-E300 WeakPolarHBondContact O-CB 3.27Å; A297-E300 PolarHBondContact O-N 3.05Å; G298-E300 PolarHBondContact O-N 2.89Å; E300-S302 VanDerWaalsContact C-N 3.3Å; E300-S302 PolarHBondContact O-N 2.8Å; E300-L303 PolarHBondContact O-N 3.36Å; E300-Q304 WeakPolarHBondContact O-CG 3.42Å; E300-Q304 PolarHBondContact O-N 2.88Å; E300-Q304 VanDerWaalsContact O-N 3.1Å; E300-Q304 PolarHBondContact OE1-NE2 3.34Å |
| 301 | G | 96.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.5 | -37.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A48 A297 G298 L299 | A48-G301 WeakPolarHBondContact CB-O 3.32Å; A297-G301 PolarHBondContact O-N 2.95Å; G298-G301 PolarHBondContact O-N 3.18Å; L299-G301 VanDerWaalsContact C-N 3.32Å; L299-G301 PolarHBondContact O-N 3.04Å |
| 302 | S | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.6 | -49.1 | 173.6 | -175.7 | 0 | 0 | 0 | 0 | 112.4 | L236 G298 L299 E300 Q304 I305 F306 | L236-S302 VanDerWaalsContact O-CB 3.29Å; L236-S302 WeakPolarHBondContact O-CB 3.32Å; L236-S302 PolarHBondContact O-OG 3.44Å; G298-S302 PolarHBondContact O-N 3.17Å; L299-S302 PolarHBondContact O-N 2.84Å; E300-S302 VanDerWaalsContact C-N 3.3Å; E300-S302 PolarHBondContact O-N 2.8Å; S302-Q304 PolarHBondContact O-N 2.87Å; S302-Q304 VanDerWaalsContact O-N 3.15Å; S302-I305 WeakPolarHBondContact O-CB 3.2Å; S302-I305 PolarHBondContact O-N 2.99Å; S302-F306 WeakPolarHBondContact O-CD2 2.88Å; S302-F306 PolarHBondContact O-N 3.31Å |
| 303 | L | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.1 | -24.9 | -177.2 | -71.4 | 175.7 | 0 | 0 | 0 | 113.3 | I78 L81 M82 L85 L236 L299 E300 I305 F306 N307 | I78-L303 HydrophobicContact CG2-CD1 3.84Å; L81-L303 HydrophobicContact CB-CB 3.99Å; L81-L303 HydrophobicContact CB-CD1 3.79Å; L81-L303 HydrophobicContact CD1-CB 4.4Å; M82-L303 HydrophobicContact CG-CD1 3.6Å; M82-L303 HydrophobicContact CG-CD2 4.29Å; L85-L303 HydrophobicContact CD1-CD2 3.65Å; L236-L303 HydrophobicContact CD1-CD2 4.42Å; L236-L303 HydrophobicContact CD2-CD2 4.36Å; L299-L303 HydrophobicContact CD1-CD1 3.96Å; L299-L303 HydrophobicContact CD1-CD2 4.23Å; L299-L303 HydrophobicContact CD1-CG 3.76Å; L299-L303 HydrophobicContact CD2-CD1 4.31Å; L299-L303 HydrophobicContact CG-CD1 3.71Å; L299-L303 HydrophobicContact CG-CG 4.01Å; L299-L303 WeakPolarHBondContact O-CB 3.42Å; L299-L303 VanDerWaalsContact O-CG 3.31Å; L299-L303 WeakPolarHBondContact O-CG 3.35Å; L299-L303 PolarHBondContact O-N 3.31Å; E300-L303 PolarHBondContact O-N 3.36Å; L303-I305 VanDerWaalsContact C-N 3.31Å; L303-I305 PolarHBondContact O-N 2.89Å; L303-F306 PolarHBondContact O-N 3.23Å; L303-N307 WeakPolarHBondContact O-CB 3.29Å; L303-N307 PolarHBondContact O-N 3Å; L303-N307 PolarHBondContact O-ND2 3.38Å |
| 304 | Q | 96.3 | Very high | 97 | Very high | 87 Ų | 87 | 36.7 Ų | 36.7 | 41% | 0.407 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.4 | -42.1 | 172.4 | -75 | 170.2 | 3.5 | 0 | 0 | 111.7 | E300 S302 N307 Q308 | E300-Q304 WeakPolarHBondContact O-CG 3.42Å; E300-Q304 PolarHBondContact O-N 2.88Å; E300-Q304 VanDerWaalsContact O-N 3.1Å; E300-Q304 PolarHBondContact OE1-NE2 3.34Å; S302-Q304 PolarHBondContact O-N 2.87Å; S302-Q304 VanDerWaalsContact O-N 3.15Å; Q304-N307 PolarHBondContact O-N 3.43Å; Q304-Q308 WeakPolarHBondContact O-CB 3.42Å; Q304-Q308 PolarHBondContact O-N 3.12Å |
| 305 | I | 95.7 | Very high | 97 | Very high | 11 Ų | 11 | 33.5 Ų | 33.5 | 6% | 0.056 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.5 | -45.3 | 176.7 | -57.2 | 172.4 | 0 | 0 | 0 | 109.9 | Y24 F28 A48 S302 L303 N307 Q308 L309 L389 | Y24-I305 HydrophobicContact CD1-CG2 3.98Å; Y24-I305 HydrophobicContact CE1-CG2 4.2Å; F28-I305 HydrophobicContact CE2-CD1 4.48Å; F28-I305 HydrophobicContact CZ-CD1 4.14Å; A48-I305 HydrophobicContact CB-CD1 4.47Å; S302-I305 WeakPolarHBondContact O-CB 3.2Å; S302-I305 PolarHBondContact O-N 2.99Å; L303-I305 VanDerWaalsContact C-N 3.31Å; L303-I305 PolarHBondContact O-N 2.89Å; I305-N307 PolarHBondContact O-N 3.27Å; I305-Q308 PolarHBondContact O-N 2.82Å; I305-L309 HydrophobicContact CG2-CD1 3.99Å; I305-L309 PolarHBondContact O-N 2.65Å; I305-L389 HydrophobicContact CG2-CD1 4.16Å; I305-L389 HydrophobicContact CG2-CD2 4.3Å |
| 306 | F | 97.4 | Very high | 97 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.1 | -44 | 178 | -78.2 | -91.3 | 0 | 0 | 0 | 112.9 | L85 Y235 L236 S302 L303 L309 G310 M311 I314 L389 | L85-F306 HydrophobicContact CD2-CB 4Å; L85-F306 HydrophobicContact CD2-CD1 4.17Å; L85-F306 HydrophobicContact CD2-CG 4.39Å; Y235-F306 WeakPolarHBondContact O-CZ 3.44Å; L236-F306 HydrophobicContact CD2-CD1 4.08Å; L236-F306 HydrophobicContact CD2-CD2 4.27Å; L236-F306 HydrophobicContact CD2-CE1 3.9Å; L236-F306 HydrophobicContact CD2-CE2 4.1Å; L236-F306 HydrophobicContact CD2-CG 4.29Å; L236-F306 HydrophobicContact CD2-CZ 3.94Å; S302-F306 WeakPolarHBondContact O-CD2 2.88Å; S302-F306 PolarHBondContact O-N 3.31Å; L303-F306 PolarHBondContact O-N 3.23Å; F306-L309 PolarHBondContact O-N 2.68Å; F306-G310 WeakPolarHBondContact O-CA 3.42Å; F306-G310 PolarHBondContact O-N 2.74Å; F306-M311 HydrophobicContact CD1-SD 3.93Å; F306-M311 HydrophobicContact CE1-SD 4.32Å; F306-I314 HydrophobicContact CD1-CD1 3.48Å; F306-I314 VanDerWaalsContact CD1-CD1 3.48Å; F306-I314 HydrophobicContact CE1-CD1 3.82Å; F306-I314 HydrophobicContact CG-CD1 4.25Å; F306-L389 HydrophobicContact CE2-CD1 4.17Å; F306-L389 HydrophobicContact CZ-CD1 4.05Å |
| 307 | N | 97 | Very high | 97 | Very high | 57 Ų | 57 | 34.6 Ų | 34.6 | 31% | 0.305 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -68.3 | -35.8 | 178.3 | -80.7 | -71.8 | 0 | 0 | 0 | 112.4 | L81 P84 L303 Q304 I305 | L81-N307 PolarHBondContact O-ND2 3.28Å; P84-N307 WeakPolarHBondContact CG-OD1 3.17Å; L303-N307 WeakPolarHBondContact O-CB 3.29Å; L303-N307 PolarHBondContact O-N 3Å; L303-N307 PolarHBondContact O-ND2 3.38Å; Q304-N307 PolarHBondContact O-N 3.43Å; I305-N307 PolarHBondContact O-N 3.27Å |
| 308 | Q | 95.8 | Very high | 97 | Very high | 141 Ų | 141 | 34.9 Ų | 34.9 | 66% | 0.659 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -65 | -40.9 | 176 | 177.2 | 176.7 | -22.4 | 0 | 0 | 112.1 | Y24 Q304 I305 | Y24-Q308 PolarHBondContact OH-NE2 2.65Å; Y24-Q308 VanDerWaalsContact OH-NE2 3.1Å; Q304-Q308 WeakPolarHBondContact O-CB 3.42Å; Q304-Q308 PolarHBondContact O-N 3.12Å; I305-Q308 PolarHBondContact O-N 2.82Å |
| 309 | L | 96.3 | Very high | 97 | Very high | 18 Ų | 18 | 36.5 Ų | 36.5 | 9% | 0.094 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -85.4 | -39.2 | -176.8 | -72.9 | 175.7 | 0 | 0 | 0 | 113.7 | L21 Y24 I305 F306 I314 L389 | L21-L309 HydrophobicContact CD2-CD1 4.12Å; L21-L309 HydrophobicContact CD2-CD2 3.52Å; L21-L309 HydrophobicContact CD2-CG 4.43Å; Y24-L309 HydrophobicContact CD1-CD1 4.41Å; Y24-L309 HydrophobicContact CD2-CD1 4.3Å; Y24-L309 HydrophobicContact CD2-CD2 4.49Å; Y24-L309 HydrophobicContact CE1-CD1 4.21Å; Y24-L309 HydrophobicContact CE1-CD2 4.44Å; Y24-L309 HydrophobicContact CE1-CG 4.37Å; Y24-L309 HydrophobicContact CE2-CD1 4.14Å; Y24-L309 HydrophobicContact CE2-CD2 3.63Å; Y24-L309 HydrophobicContact CE2-CG 4.3Å; Y24-L309 HydrophobicContact CG-CD1 4.43Å; Y24-L309 WeakPolarHBondContact OH-CD2 3.26Å; I305-L309 HydrophobicContact CG2-CD1 3.99Å; I305-L309 PolarHBondContact O-N 2.65Å; F306-L309 PolarHBondContact O-N 2.68Å; L309-I314 HydrophobicContact CB-CD1 4.11Å; L309-I314 HydrophobicContact CB-CG1 4.07Å; L309-I314 HydrophobicContact CD1-CD1 4.48Å; L309-I314 HydrophobicContact CD1-CG1 4.31Å; L309-L389 HydrophobicContact CD1-CD2 3.32Å |
| 310 | G | 96.9 | Very high | 96.9 | Very high | 28 Ų | 28 | 37.8 Ų | 37.8 | 29% | 0.289 | 19% | 0.192 | S | C | . | . | trans | 74.5 | 145.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F306 K312 K313 I314 | F306-G310 WeakPolarHBondContact O-CA 3.42Å; F306-G310 PolarHBondContact O-N 2.74Å; G310-K312 VanDerWaalsContact C-N 3.27Å; G310-K312 PolarHBondContact O-N 2.89Å; G310-K313 PolarHBondContact O-N 3.3Å; G310-I314 PolarHBondContact O-N 3.28Å | ||
| 311 | M | 97.4 | Very high | 96.9 | Very high | 16 Ų | 16 | 37 Ų | 37 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.8 | -29.6 | -175.2 | -76.1 | -52.3 | -57.7 | 0 | 0 | 114.3 | L85 G214 I216 E217 F306 K313 I314 R315 | L85-M311 HydrophobicContact CD2-CG 3.87Å; L85-M311 HydrophobicContact CD2-SD 3.91Å; G214-M311 VanDerWaalsContact C-CE 3.46Å; I216-M311 WeakPolarHBondContact O-CE 3.47Å; E217-M311 HydrophobicContact CG-CB 4.18Å; F306-M311 HydrophobicContact CD1-SD 3.93Å; F306-M311 HydrophobicContact CE1-SD 4.32Å; M311-K313 PolarHBondContact O-N 2.88Å; M311-I314 HydrophobicContact CE-CG2 4.27Å; M311-I314 PolarHBondContact O-N 2.89Å; M311-I314 HydrophobicContact SD-CD1 4.17Å; M311-R315 VanDerWaalsContact O-CB 3.24Å; M311-R315 WeakPolarHBondContact O-CB 3.25Å; M311-R315 PolarHBondContact O-N 3.44Å |
| 312 | K | 97 | Very high | 96.9 | Very high | 154 Ų | 154 | 37 Ų | 37 | 67% | 0.67 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -56.6 | -47.4 | 175.8 | -78 | 179.5 | -179.7 | -174 | 0 | 112.9 | E217 G310 A316 | E217-K312 WeakPolarHBondContact OE2-CE 3.42Å; E217-K312 WeakPolarHBondContact OE2-CG 3.38Å; G310-K312 VanDerWaalsContact C-N 3.27Å; G310-K312 PolarHBondContact O-N 2.89Å; K312-A316 VanDerWaalsContact O-CB 3.25Å; K312-A316 WeakPolarHBondContact O-CB 3.48Å; K312-A316 PolarHBondContact O-N 3.41Å |
| 313 | K | 96.9 | Very high | 96.8 | Very high | 113 Ų | 113 | 38.2 Ų | 38.2 | 49% | 0.491 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -69.8 | -44 | 179.8 | -69.1 | -168 | 177.1 | -166 | 0 | 111.2 | G310 M311 A316 N317 | G310-K313 PolarHBondContact O-N 3.3Å; M311-K313 PolarHBondContact O-N 2.88Å; K313-A316 PolarHBondContact O-N 2.85Å; K313-N317 WeakPolarHBondContact O-CB 3.28Å; K313-N317 PolarHBondContact O-N 3.41Å |
| 314 | I | 97.7 | Very high | 96.8 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 4% | 0.036 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.9 | -48.9 | 178.6 | -65.7 | 174.3 | 0 | 0 | 0 | 110.5 | F306 L309 G310 M311 N317 S318 A388 L389 | F306-I314 HydrophobicContact CD1-CD1 3.48Å; F306-I314 VanDerWaalsContact CD1-CD1 3.48Å; F306-I314 HydrophobicContact CE1-CD1 3.82Å; F306-I314 HydrophobicContact CG-CD1 4.25Å; L309-I314 HydrophobicContact CB-CD1 4.11Å; L309-I314 HydrophobicContact CB-CG1 4.07Å; L309-I314 HydrophobicContact CD1-CD1 4.48Å; L309-I314 HydrophobicContact CD1-CG1 4.31Å; G310-I314 PolarHBondContact O-N 3.28Å; M311-I314 HydrophobicContact CE-CG2 4.27Å; M311-I314 PolarHBondContact O-N 2.89Å; M311-I314 HydrophobicContact SD-CD1 4.17Å; I314-N317 PolarHBondContact O-N 3.03Å; I314-S318 WeakPolarHBondContact O-CB 3.12Å; I314-S318 PolarHBondContact O-N 2.75Å; I314-A388 HydrophobicContact CG2-CB 4.04Å; I314-A388 WeakPolarHBondContact O-CB 3.43Å; I314-L389 HydrophobicContact CG1-CD2 4.47Å |
| 315 | R | 97.3 | Very high | 96.9 | Very high | 17 Ų | 17 | 34.1 Ų | 34.1 | 6% | 0.064 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.1 | -44.8 | 179.4 | 179.7 | 55.3 | 176.5 | 173.9 | 1.8 | 111.9 | A215 E217 M311 N317 S318 L319 D346 R349 G350 | A215-R315 WeakPolarHBondContact O-CD 3.03Å; E217-R315 HydrophobicContact CG-CB 4.2Å; E217-R315 HydrophobicContact CG-CG 4.46Å; M311-R315 VanDerWaalsContact O-CB 3.24Å; M311-R315 WeakPolarHBondContact O-CB 3.25Å; M311-R315 PolarHBondContact O-N 3.44Å; R315-N317 VanDerWaalsContact C-N 3.31Å; R315-N317 PolarHBondContact O-N 3.43Å; R315-S318 PolarHBondContact O-N 2.85Å; R315-L319 HydrophobicContact CG-CD1 4.18Å; R315-L319 HydrophobicContact CG-CG 4.42Å; R315-L319 VanDerWaalsContact CZ-CD2 3.4Å; R315-L319 VanDerWaalsContact NH2-CD2 3.33Å; R315-L319 WeakPolarHBondContact O-CB 3.38Å; R315-L319 WeakPolarHBondContact O-CG 3.43Å; R315-L319 PolarHBondContact O-N 2.77Å; R315-D346 PolarHBondContact NH2-O 3.13Å; R315-R349 PolarHBondContact NH1-O 3.39Å; R315-R349 PolarHBondContact NH2-O 2.84Å; R315-G350 PolarHBondContact NH1-O 3.41Å |
| 316 | A | 96.7 | Very high | 97 | Very high | 38 Ų | 38 | 34.2 Ų | 34.2 | 31% | 0.314 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.3 | -41.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1 K312 K313 N320 | M1-A316 HydrophobicContact CE-CB 4.19Å; K312-A316 VanDerWaalsContact O-CB 3.25Å; K312-A316 WeakPolarHBondContact O-CB 3.48Å; K312-A316 PolarHBondContact O-N 3.41Å; K313-A316 PolarHBondContact O-N 2.85Å; A316-N320 PolarHBondContact O-N 3.21Å; A316-N320 VanDerWaalsContact O-N 3.13Å |
| 317 | N | 97.1 | Very high | 96.9 | Very high | 15 Ų | 15 | 36.1 Ų | 36.1 | 8% | 0.08 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67 | -47.7 | 175.6 | -175 | -87.7 | 0 | 0 | 0 | 112.1 | D19 L21 K313 I314 R315 L319 N320 K321 A388 | D19-N317 VanDerWaalsContact CG-ND2 3.28Å; D19-N317 PolarHBondContact OD1-ND2 3.1Å; D19-N317 PolarHBondContact OD2-ND2 3.29Å; L21-N317 HydrophobicContact CD1-CB 3.63Å; L21-N317 HydrophobicContact CG-CB 4.33Å; K313-N317 WeakPolarHBondContact O-CB 3.28Å; K313-N317 PolarHBondContact O-N 3.41Å; I314-N317 PolarHBondContact O-N 3.03Å; R315-N317 VanDerWaalsContact C-N 3.31Å; R315-N317 PolarHBondContact O-N 3.43Å; N317-L319 VanDerWaalsContact C-N 3.31Å; N317-L319 PolarHBondContact O-N 2.81Å; N317-N320 PolarHBondContact O-N 2.84Å; N317-N320 VanDerWaalsContact O-N 3.1Å; N317-K321 PolarHBondContact O-N 3Å; N317-K321 VanDerWaalsContact OD1-CD 3.32Å; N317-K321 WeakPolarHBondContact OD1-CD 3.47Å; N317-K321 WeakPolarHBondContact OD1-CE 3.1Å; N317-K321 PolarHBondContact OD1-NZ 3.19Å; N317-A388 HydrophobicContact CB-CB 4.1Å; N317-A388 VanDerWaalsContact OD1-CA 3.23Å; N317-A388 WeakPolarHBondContact OD1-CA 3.43Å; N317-A388 WeakPolarHBondContact OD1-CB 3.12Å; N317-A388 PolarHBondContact OD1-O 2.94Å |
| 318 | S | 96.7 | Very high | 97 | Very high | 7 Ų | 7 | 33.4 Ų | 33.4 | 5% | 0.049 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.3 | -44.7 | 177 | 176.5 | 0 | 0 | 0 | 0 | 111.9 | I314 R315 K321 T322 | I314-S318 WeakPolarHBondContact O-CB 3.12Å; I314-S318 PolarHBondContact O-N 2.75Å; R315-S318 PolarHBondContact O-N 2.85Å; S318-K321 PolarHBondContact O-N 2.87Å; S318-T322 WeakPolarHBondContact O-CB 3.43Å; S318-T322 WeakPolarHBondContact O-CG2 3.38Å; S318-T322 PolarHBondContact O-N 2.76Å; S318-T322 PolarHBondContact O-OG1 2.99Å |
| 319 | L | 96.7 | Very high | 97 | Very high | 35 Ų | 35 | 27 Ų | 27 | 18% | 0.183 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61 | -44.1 | 175.4 | -76.7 | 178 | 0 | 0 | 0 | 112 | R315 N317 T322 A323 D346 | R315-L319 HydrophobicContact CG-CD1 4.18Å; R315-L319 HydrophobicContact CG-CG 4.42Å; R315-L319 VanDerWaalsContact CZ-CD2 3.4Å; R315-L319 VanDerWaalsContact NH2-CD2 3.33Å; R315-L319 WeakPolarHBondContact O-CB 3.38Å; R315-L319 WeakPolarHBondContact O-CG 3.43Å; R315-L319 PolarHBondContact O-N 2.77Å; N317-L319 VanDerWaalsContact C-N 3.31Å; N317-L319 PolarHBondContact O-N 2.81Å; L319-T322 WeakPolarHBondContact CA-OG1 3.45Å; L319-T322 PolarHBondContact O-N 2.72Å; L319-T322 PolarHBondContact O-OG1 3Å; L319-T322 VanDerWaalsContact O-OG1 3.11Å; L319-A323 VanDerWaalsContact O-CB 3.24Å; L319-A323 WeakPolarHBondContact O-CB 3.33Å; L319-A323 PolarHBondContact O-N 2.87Å; L319-D346 HydrophobicContact CD1-CB 4.49Å; L319-D346 HydrophobicContact CD2-CB 3.67Å |
| 320 | N | 96.2 | Very high | 97 | Very high | 27 Ų | 27 | 30.3 Ų | 30.3 | 14% | 0.144 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.9 | -44.7 | 179 | -167 | -72 | 0 | 0 | 0 | 112.2 | A316 N317 A323 Y324 Y393 | A316-N320 PolarHBondContact O-N 3.21Å; A316-N320 VanDerWaalsContact O-N 3.13Å; N317-N320 PolarHBondContact O-N 2.84Å; N317-N320 VanDerWaalsContact O-N 3.1Å; N320-A323 PolarHBondContact O-N 2.98Å; N320-Y324 PolarHBondContact O-N 2.89Å; N320-Y393 VanDerWaalsContact CG-OH 3.31Å; N320-Y393 WeakPolarHBondContact OD1-CE1 3.36Å; N320-Y393 PolarHBondContact OD1-OH 2.96Å |
| 321 | K | 97.2 | Very high | 97 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.1 | -44.3 | 176.6 | -76.2 | -177.7 | -179.2 | 172.6 | 0 | 112.2 | D19 N317 S318 Y324 L325 P386 A388 T391 Y393 I396 | D19-K321 WeakPolarHBondContact OD2-CE 3.49Å; D19-K321 IonicContact OD2-NZ 3.24Å; D19-K321 PolarHBondContact OD2-NZ 3.45Å; N317-K321 PolarHBondContact O-N 3Å; N317-K321 VanDerWaalsContact OD1-CD 3.32Å; N317-K321 WeakPolarHBondContact OD1-CD 3.47Å; N317-K321 WeakPolarHBondContact OD1-CE 3.1Å; N317-K321 PolarHBondContact OD1-NZ 3.19Å; S318-K321 PolarHBondContact O-N 2.87Å; K321-Y324 PolarHBondContact O-N 3.02Å; K321-L325 PolarHBondContact O-N 3.18Å; K321-P386 HydrophobicContact CB-CB 3.98Å; K321-A388 PolarHBondContact NZ-O 2.89Å; K321-T391 VanDerWaalsContact CE-O 3.22Å; K321-T391 WeakPolarHBondContact CE-O 3.49Å; K321-T391 PolarHBondContact NZ-O 3.14Å; K321-Y393 HydrophobicContact CD-CE2 4.48Å; K321-Y393 HydrophobicContact CG-CE1 3.97Å; K321-Y393 HydrophobicContact CG-CE2 3.9Å; K321-I396 HydrophobicContact CB-CD1 3.72Å; K321-I396 HydrophobicContact CD-CD1 4.43Å; K321-I396 HydrophobicContact CG-CD1 4Å |
| 322 | T | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70 | -37 | 178 | 47.2 | 0 | 0 | 0 | 0 | 112.5 | S318 L319 Y324 L325 M326 R349 V353 P386 | S318-T322 WeakPolarHBondContact O-CB 3.43Å; S318-T322 WeakPolarHBondContact O-CG2 3.38Å; S318-T322 PolarHBondContact O-N 2.76Å; S318-T322 PolarHBondContact O-OG1 2.99Å; L319-T322 WeakPolarHBondContact CA-OG1 3.45Å; L319-T322 PolarHBondContact O-N 2.72Å; L319-T322 PolarHBondContact O-OG1 3Å; L319-T322 VanDerWaalsContact O-OG1 3.11Å; T322-Y324 VanDerWaalsContact C-N 3.3Å; T322-Y324 PolarHBondContact O-N 3.25Å; T322-L325 PolarHBondContact O-N 3.11Å; T322-M326 VanDerWaalsContact O-CG 3.26Å; T322-M326 WeakPolarHBondContact O-CG 3.5Å; T322-M326 PolarHBondContact O-N 3.49Å; T322-R349 PolarHBondContact OG1-NH1 2.86Å; T322-R349 PolarHBondContact OG1-NH2 3.22Å; T322-V353 HydrophobicContact CG2-CG2 4.25Å; T322-P386 HydrophobicContact CG2-CB 4.39Å; T322-P386 HydrophobicContact CG2-CG 3.86Å |
| 323 | A | 96.2 | Very high | 97 | Very high | 27 Ų | 27 | 29.2 Ų | 29.2 | 22% | 0.223 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.4 | -37.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F5 L319 N320 F327 | F5-A323 HydrophobicContact CE2-CB 3.92Å; F5-A323 HydrophobicContact CZ-CB 4.37Å; L319-A323 VanDerWaalsContact O-CB 3.24Å; L319-A323 WeakPolarHBondContact O-CB 3.33Å; L319-A323 PolarHBondContact O-N 2.87Å; N320-A323 PolarHBondContact O-N 2.98Å; A323-F327 VanDerWaalsContact O-CB 3.31Å; A323-F327 WeakPolarHBondContact O-CB 3.34Å; A323-F327 PolarHBondContact O-N 3.03Å |
| 324 | Y | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.7 | -44.3 | 173.7 | -178.2 | -119 | 0 | 0 | 0 | 112.3 | F5 Y11 A12 L15 N320 K321 T322 M326 F327 L328 Y393 I396 | F5-Y324 HydrophobicContact CB-CD2 4.03Å; F5-Y324 HydrophobicContact CB-CE2 4.38Å; F5-Y324 AromaticContact CD1-CD2 3.58Å; F5-Y324 HydrophobicContact CD1-CD2 3.58Å; F5-Y324 HydrophobicContact CD1-CE2 4.36Å; F5-Y324 HydrophobicContact CD1-CG 4.33Å; F5-Y324 HydrophobicContact CD2-CD2 4.4Å; F5-Y324 HydrophobicContact CE1-CD2 4.07Å; F5-Y324 HydrophobicContact CE1-CG 4.38Å; F5-Y324 AromaticContact CG-CD2 3.77Å; F5-Y324 HydrophobicContact CG-CD2 3.77Å; Y11-Y324 HydrophobicContact CD1-CE2 4.12Å; Y11-Y324 HydrophobicContact CE1-CE2 4.06Å; A12-Y324 HydrophobicContact CB-CE1 4.3Å; L15-Y324 HydrophobicContact CD1-CD1 4.48Å; L15-Y324 HydrophobicContact CD1-CD2 4.05Å; L15-Y324 HydrophobicContact CD1-CE1 4.46Å; L15-Y324 HydrophobicContact CD1-CE2 4.05Å; L15-Y324 HydrophobicContact CD1-CG 4.27Å; N320-Y324 PolarHBondContact O-N 2.89Å; K321-Y324 PolarHBondContact O-N 3.02Å; T322-Y324 VanDerWaalsContact C-N 3.3Å; T322-Y324 PolarHBondContact O-N 3.25Å; Y324-M326 PolarHBondContact O-N 3.33Å; Y324-F327 HydrophobicContact CD2-CD1 4.23Å; Y324-F327 HydrophobicContact CE2-CD1 4.27Å; Y324-F327 PolarHBondContact O-N 3.22Å; Y324-L328 HydrophobicContact CD1-CD1 4.19Å; Y324-L328 HydrophobicContact CD2-CG 4.4Å; Y324-L328 HydrophobicContact CE1-CD1 3.6Å; Y324-L328 HydrophobicContact CE1-CG 4.22Å; Y324-L328 HydrophobicContact CE2-CD1 4.21Å; Y324-L328 HydrophobicContact CE2-CD2 4.08Å; Y324-L328 HydrophobicContact CE2-CG 3.97Å; Y324-L328 WeakPolarHBondContact O-CG 3.32Å; Y324-L328 PolarHBondContact O-N 3.28Å; Y324-Y393 AromaticContact CD1-CD1 3.54Å; Y324-Y393 HydrophobicContact CD1-CD1 3.54Å; Y324-Y393 HydrophobicContact CD1-CE1 4.32Å; Y324-Y393 HydrophobicContact CD1-CG 4.47Å; Y324-Y393 HydrophobicContact CE1-CD1 4.14Å; Y324-Y393 AromaticContact CG-CD1 3.94Å; Y324-Y393 HydrophobicContact CG-CD1 3.94Å; Y324-Y393 HydrophobicContact CG-CE1 4.33Å; Y324-I396 HydrophobicContact CD1-CB 4.2Å; Y324-I396 HydrophobicContact CD1-CG2 3.66Å; Y324-I396 HydrophobicContact CE1-CB 4.45Å; Y324-I396 HydrophobicContact CE1-CG2 4.1Å |
| 325 | L | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.5 | -49.7 | 174 | 172.6 | 59.1 | 0 | 0 | 0 | 110.9 | M37 K321 T322 L328 I329 V353 L384 P386 I396 V400 | M37-L325 HydrophobicContact CE-CD2 4.29Å; K321-L325 PolarHBondContact O-N 3.18Å; T322-L325 PolarHBondContact O-N 3.11Å; L325-L328 PolarHBondContact O-N 2.87Å; L325-I329 HydrophobicContact CD1-CD1 3.81Å; L325-I329 HydrophobicContact CD1-CG1 4.14Å; L325-I329 HydrophobicContact CG-CD1 3.8Å; L325-I329 VanDerWaalsContact O-CG1 3.29Å; L325-I329 WeakPolarHBondContact O-CG1 3.34Å; L325-I329 PolarHBondContact O-N 2.68Å; L325-V353 HydrophobicContact CD2-CB 4.05Å; L325-V353 HydrophobicContact CD2-CG2 3.92Å; L325-L384 HydrophobicContact CD2-CB 4.03Å; L325-P386 HydrophobicContact CB-CG 4.37Å; L325-P386 HydrophobicContact CD2-CG 3.63Å; L325-I396 HydrophobicContact CB-CG2 3.69Å; L325-I396 HydrophobicContact CD1-CG2 4.02Å; L325-I396 HydrophobicContact CG-CG2 4.43Å; L325-V400 HydrophobicContact CD1-CG2 3.6Å |
| 326 | M | 97.1 | Very high | 96.5 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 6% | 0.064 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 179.3 | -66.6 | 177.6 | 70.2 | 0 | 0 | 111.8 | T322 Y324 L328 I329 D330 Y340 T344 V353 | T322-M326 VanDerWaalsContact O-CG 3.26Å; T322-M326 WeakPolarHBondContact O-CG 3.5Å; T322-M326 PolarHBondContact O-N 3.49Å; Y324-M326 PolarHBondContact O-N 3.33Å; M326-L328 VanDerWaalsContact C-N 3.32Å; M326-L328 PolarHBondContact O-N 3.03Å; M326-I329 PolarHBondContact O-N 3.24Å; M326-D330 WeakPolarHBondContact O-CB 3.24Å; M326-D330 PolarHBondContact O-N 3.16Å; M326-Y340 VanDerWaalsContact CA-OH 3.3Å; M326-Y340 WeakPolarHBondContact CA-OH 3.41Å; M326-Y340 HydrophobicContact CB-CE1 4.4Å; M326-Y340 WeakPolarHBondContact CB-OH 3.37Å; M326-Y340 HydrophobicContact CE-CD1 4.16Å; M326-Y340 HydrophobicContact CE-CD2 4.47Å; M326-Y340 HydrophobicContact CE-CE1 3.87Å; M326-Y340 HydrophobicContact CE-CE2 4.2Å; M326-Y340 HydrophobicContact CE-CG 4.45Å; M326-Y340 HydrophobicContact CG-CE1 3.93Å; M326-Y340 PolarHBondContact O-OH 3.29Å; M326-T344 HydrophobicContact CE-CG2 3.6Å; M326-V353 HydrophobicContact CG-CG1 4.13Å; M326-V353 HydrophobicContact CG-CG2 3.77Å; M326-V353 HydrophobicContact SD-CG2 4.02Å |
| 327 | F | 96.9 | Very high | 96.3 | Very high | 44 Ų | 44 | 37.7 Ų | 37.7 | 19% | 0.193 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.6 | -44.9 | 172.4 | 164.3 | -93.6 | 0 | 0 | 0 | 112.3 | F5 T7 A323 Y324 D330 K331 | F5-F327 HydrophobicContact CB-CB 4.38Å; F5-F327 HydrophobicContact CB-CD1 3.5Å; F5-F327 VanDerWaalsContact CB-CD1 3.5Å; F5-F327 HydrophobicContact CB-CD2 3.99Å; F5-F327 HydrophobicContact CB-CE1 3.67Å; F5-F327 HydrophobicContact CB-CE2 4.11Å; F5-F327 HydrophobicContact CB-CG 3.67Å; F5-F327 HydrophobicContact CB-CZ 3.96Å; F5-F327 HydrophobicContact CD2-CB 4Å; F5-F327 HydrophobicContact CD2-CG 4.19Å; F5-F327 HydrophobicContact CG-CD1 4.37Å; F5-F327 HydrophobicContact CG-CG 4.35Å; F5-F327 VanDerWaalsContact O-CZ 3.26Å; F5-F327 WeakPolarHBondContact O-CZ 3.37Å; T7-F327 HydrophobicContact CG2-CE1 3.92Å; T7-F327 HydrophobicContact CG2-CZ 4.13Å; A323-F327 VanDerWaalsContact O-CB 3.31Å; A323-F327 WeakPolarHBondContact O-CB 3.34Å; A323-F327 PolarHBondContact O-N 3.03Å; Y324-F327 HydrophobicContact CD2-CD1 4.23Å; Y324-F327 HydrophobicContact CE2-CD1 4.27Å; Y324-F327 PolarHBondContact O-N 3.22Å; F327-D330 PolarHBondContact O-N 2.91Å; F327-K331 HydrophobicContact CD2-CG 4.13Å; F327-K331 HydrophobicContact CE1-CG 4.34Å; F327-K331 HydrophobicContact CE2-CD 4.45Å; F327-K331 HydrophobicContact CE2-CG 3.74Å; F327-K331 HydrophobicContact CZ-CG 3.85Å; F327-K331 WeakPolarHBondContact O-CB 3.44Å; F327-K331 VanDerWaalsContact O-CG 3.28Å; F327-K331 WeakPolarHBondContact O-CG 3.23Å; F327-K331 PolarHBondContact O-N 2.98Å |
| 328 | L | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.5 | -40.4 | 178.2 | -72.2 | -176.4 | 0 | 0 | 0 | 111.9 | T7 Y324 L325 M326 K331 E332 I396 N397 V400 | T7-L328 HydrophobicContact CG2-CD2 4.15Å; Y324-L328 HydrophobicContact CD1-CD1 4.19Å; Y324-L328 HydrophobicContact CD2-CG 4.4Å; Y324-L328 HydrophobicContact CE1-CD1 3.6Å; Y324-L328 HydrophobicContact CE1-CG 4.22Å; Y324-L328 HydrophobicContact CE2-CD1 4.21Å; Y324-L328 HydrophobicContact CE2-CD2 4.08Å; Y324-L328 HydrophobicContact CE2-CG 3.97Å; Y324-L328 WeakPolarHBondContact O-CG 3.32Å; Y324-L328 PolarHBondContact O-N 3.28Å; L325-L328 PolarHBondContact O-N 2.87Å; M326-L328 VanDerWaalsContact C-N 3.32Å; M326-L328 PolarHBondContact O-N 3.03Å; L328-K331 PolarHBondContact O-N 3.36Å; L328-E332 WeakPolarHBondContact O-CB 3.31Å; L328-E332 WeakPolarHBondContact O-CG 3.16Å; L328-E332 PolarHBondContact O-N 3.35Å; L328-I396 HydrophobicContact CD1-CG2 4.23Å; L328-N397 HydrophobicContact CD1-CB 4.13Å; L328-V400 HydrophobicContact CB-CB 4.16Å; L328-V400 HydrophobicContact CB-CG1 4.01Å; L328-V400 HydrophobicContact CB-CG2 3.79Å; L328-V400 HydrophobicContact CD1-CB 4.4Å; L328-V400 HydrophobicContact CD1-CG2 4.23Å |
| 329 | I | 97.2 | Very high | 96.2 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.6 | -50.6 | 173.7 | -69.5 | 164.2 | 0 | 0 | 0 | 109.8 | L325 M326 K331 E332 L333 A334 Y340 V353 L355 V400 | L325-I329 HydrophobicContact CD1-CD1 3.81Å; L325-I329 HydrophobicContact CD1-CG1 4.14Å; L325-I329 HydrophobicContact CG-CD1 3.8Å; L325-I329 VanDerWaalsContact O-CG1 3.29Å; L325-I329 WeakPolarHBondContact O-CG1 3.34Å; L325-I329 PolarHBondContact O-N 2.68Å; M326-I329 PolarHBondContact O-N 3.24Å; I329-K331 VanDerWaalsContact C-N 3.26Å; I329-K331 PolarHBondContact O-N 3.31Å; I329-E332 PolarHBondContact O-N 2.79Å; I329-L333 HydrophobicContact CB-CD1 4.45Å; I329-L333 HydrophobicContact CG1-CD1 4.08Å; I329-L333 HydrophobicContact CG2-CB 4.34Å; I329-L333 HydrophobicContact CG2-CD1 4.38Å; I329-L333 WeakPolarHBondContact O-CA 3.38Å; I329-L333 VanDerWaalsContact O-CB 3.3Å; I329-L333 WeakPolarHBondContact O-CB 3.27Å; I329-L333 PolarHBondContact O-N 2.67Å; I329-A334 PolarHBondContact O-N 3.07Å; I329-Y340 WeakPolarHBondContact CB-OH 3.2Å; I329-Y340 HydrophobicContact CD1-CE1 4.13Å; I329-Y340 HydrophobicContact CG2-CE1 4.11Å; I329-Y340 WeakPolarHBondContact CG2-OH 3.1Å; I329-V353 HydrophobicContact CD1-CG1 4.2Å; I329-L355 HydrophobicContact CD1-CD1 4.16Å; I329-L355 HydrophobicContact CD1-CD2 4.49Å; I329-L355 HydrophobicContact CG2-CD1 3.75Å; I329-V400 HydrophobicContact CG1-CG2 4.21Å |
| 330 | D | 96.4 | Very high | 96.2 | Very high | 88 Ų | 88 | 41.1 Ų | 41.1 | 47% | 0.471 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.8 | -32.4 | -179.7 | -66.9 | -7.2 | 0 | 0 | 0 | 112.9 | M326 F327 A334 Y340 | M326-D330 WeakPolarHBondContact O-CB 3.24Å; M326-D330 PolarHBondContact O-N 3.16Å; F327-D330 PolarHBondContact O-N 2.91Å; D330-A334 WeakPolarHBondContact O-CB 3.38Å; D330-Y340 WeakPolarHBondContact OD1-CE2 3.45Å; D330-Y340 PolarHBondContact OD1-OH 3.44Å |
| 331 | K | 96.6 | Very high | 96 | Very high | 138 Ų | 138 | 40 Ų | 40 | 60% | 0.6 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -88.6 | -33.5 | -178.1 | -68.5 | -56.6 | -179.6 | -167.4 | 0 | 114.3 | T7 F327 L328 I329 | T7-K331 HydrophobicContact CG2-CB 3.91Å; T7-K331 HydrophobicContact CG2-CG 4.32Å; F327-K331 HydrophobicContact CD2-CG 4.13Å; F327-K331 HydrophobicContact CE1-CG 4.34Å; F327-K331 HydrophobicContact CE2-CD 4.45Å; F327-K331 HydrophobicContact CE2-CG 3.74Å; F327-K331 HydrophobicContact CZ-CG 3.85Å; F327-K331 WeakPolarHBondContact O-CB 3.44Å; F327-K331 VanDerWaalsContact O-CG 3.28Å; F327-K331 WeakPolarHBondContact O-CG 3.23Å; F327-K331 PolarHBondContact O-N 2.98Å; L328-K331 PolarHBondContact O-N 3.36Å; I329-K331 VanDerWaalsContact C-N 3.26Å; I329-K331 PolarHBondContact O-N 3.31Å |
| 332 | E | 96.6 | Very high | 95.9 | Very high | 36 Ų | 36 | 40.3 Ų | 40.3 | 17% | 0.168 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -109.6 | -22.3 | -169.5 | -61.8 | -72.4 | 173.3 | 0 | 0 | 113.2 | L328 I329 V400 K404 | L328-E332 WeakPolarHBondContact O-CB 3.31Å; L328-E332 WeakPolarHBondContact O-CG 3.16Å; L328-E332 PolarHBondContact O-N 3.35Å; I329-E332 PolarHBondContact O-N 2.79Å; E332-V400 HydrophobicContact CB-CG1 3.82Å; E332-V400 HydrophobicContact CG-CG1 4.29Å; E332-K404 HydrophobicContact CB-CD 4.46Å; E332-K404 IonicContact OE2-NZ 2.98Å; E332-K404 PolarHBondContact OE2-NZ 2.93Å |
| 333 | L | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117 | -4.4 | -171.4 | -56.6 | -172.9 | 0 | 0 | 0 | 114.7 | I329 D335 Y336 Y338 L355 V400 L403 K404 | I329-L333 HydrophobicContact CB-CD1 4.45Å; I329-L333 HydrophobicContact CG1-CD1 4.08Å; I329-L333 HydrophobicContact CG2-CB 4.34Å; I329-L333 HydrophobicContact CG2-CD1 4.38Å; I329-L333 WeakPolarHBondContact O-CA 3.38Å; I329-L333 VanDerWaalsContact O-CB 3.3Å; I329-L333 WeakPolarHBondContact O-CB 3.27Å; I329-L333 PolarHBondContact O-N 2.67Å; L333-D335 PolarHBondContact O-N 3.45Å; L333-D335 VanDerWaalsContact O-N 3.12Å; L333-Y336 PolarHBondContact O-N 3.4Å; L333-Y338 HydrophobicContact CB-CD2 3.77Å; L333-Y338 HydrophobicContact CB-CE2 4.3Å; L333-Y338 HydrophobicContact CD1-CD2 4.08Å; L333-Y338 HydrophobicContact CD1-CE2 4.06Å; L333-Y338 HydrophobicContact CD2-CE2 4.27Å; L333-Y338 HydrophobicContact CG-CD2 4.37Å; L333-Y338 HydrophobicContact CG-CE2 4.46Å; L333-L355 HydrophobicContact CD1-CD2 4.37Å; L333-V400 HydrophobicContact CD1-CG1 4.14Å; L333-V400 HydrophobicContact CD2-CG1 4.28Å; L333-V400 HydrophobicContact CG-CG1 3.96Å; L333-L403 HydrophobicContact CD1-CB 3.84Å; L333-L403 HydrophobicContact CD1-CD1 3.92Å; L333-L403 HydrophobicContact CD2-CB 4.3Å; L333-K404 HydrophobicContact CD2-CB 3.52Å; L333-K404 HydrophobicContact CD2-CG 4.09Å |
| 334 | A | 92.4 | Very high | 95.6 | Very high | 65 Ų | 65 | 45.4 Ų | 45.4 | 54% | 0.537 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -33 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | I329 D330 Y336 | I329-A334 PolarHBondContact O-N 3.07Å; D330-A334 WeakPolarHBondContact O-CB 3.38Å; A334-Y336 VanDerWaalsContact C-N 3.33Å |
| 335 | D | 93.3 | Very high | 95.5 | Very high | 158 Ų | 158 | 49 Ų | 49 | 85% | 0.845 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 3.4 | -178.7 | -61 | -39.4 | 0 | 0 | 0 | 113.7 | L333 | L333-D335 PolarHBondContact O-N 3.45Å; L333-D335 VanDerWaalsContact O-N 3.12Å |
| 336 | Y | 95.8 | Very high | 95.3 | Very high | 72 Ų | 72 | 51.2 Ų | 51.2 | 28% | 0.282 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 26.6 | -172.3 | -65.8 | -79.3 | 0 | 0 | 0 | 113.5 | L333 A334 Y338 H357 K404 V407 A408 | L333-Y336 PolarHBondContact O-N 3.4Å; A334-Y336 VanDerWaalsContact C-N 3.33Å; Y336-Y338 WeakPolarHBondContact O-CD2 3.41Å; Y336-Y338 PolarHBondContact O-N 3.22Å; Y336-H357 PolarHBondContact O-CD2 3.34Å; Y336-H357 VanDerWaalsContact O-CD2 3.25Å; Y336-H357 PolarHBondContact O-NE2 2.93Å; Y336-H357 VanDerWaalsContact O-NE2 3.11Å; Y336-K404 HydrophobicContact CE2-CG 3.88Å; Y336-V407 HydrophobicContact CD1-CB 4.26Å; Y336-V407 HydrophobicContact CD1-CG1 3.88Å; Y336-V407 HydrophobicContact CG-CG1 4.34Å; Y336-A408 HydrophobicContact CD1-CB 4.46Å; Y336-A408 HydrophobicContact CE1-CB 3.55Å |
| 337 | G | 94.1 | Very high | 95.2 | Very high | 58 Ų | 58 | 58.8 Ų | 58.8 | 60% | 0.598 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 8.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 338 | Y | 96.3 | Very high | 95.1 | Very high | 24 Ų | 24 | 59.4 Ų | 59.4 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | trans | -80.8 | 140.2 | 177 | -68.2 | -74.6 | 0 | 0 | 0 | 112.3 | L333 Y336 L355 Q356 H357 I363 L403 V407 | L333-Y338 HydrophobicContact CB-CD2 3.77Å; L333-Y338 HydrophobicContact CB-CE2 4.3Å; L333-Y338 HydrophobicContact CD1-CD2 4.08Å; L333-Y338 HydrophobicContact CD1-CE2 4.06Å; L333-Y338 HydrophobicContact CD2-CE2 4.27Å; L333-Y338 HydrophobicContact CG-CD2 4.37Å; L333-Y338 HydrophobicContact CG-CE2 4.46Å; Y336-Y338 WeakPolarHBondContact O-CD2 3.41Å; Y336-Y338 PolarHBondContact O-N 3.22Å; Y338-L355 HydrophobicContact CD1-CD1 4.13Å; Y338-L355 HydrophobicContact CD1-CD2 3.43Å; Y338-L355 VanDerWaalsContact CD1-CD2 3.43Å; Y338-L355 HydrophobicContact CD1-CG 3.52Å; Y338-L355 HydrophobicContact CE1-CD2 3.64Å; Y338-L355 HydrophobicContact CE1-CG 4.16Å; Y338-L355 HydrophobicContact CG-CD1 4.28Å; Y338-L355 HydrophobicContact CG-CD2 4.02Å; Y338-L355 HydrophobicContact CG-CG 4.16Å; Y338-Q356 WeakPolarHBondContact CA-O 3.16Å; Y338-H357 HydrophobicContact CD1-CB 3.75Å; Y338-H357 AromaticContact CD1-CD2 3.72Å; Y338-H357 HydrophobicContact CE1-CB 3.85Å; Y338-H357 AromaticContact CE1-CD2 3.78Å; Y338-I363 HydrophobicContact CE1-CD1 4.12Å; Y338-L403 HydrophobicContact CE1-CD2 4.31Å; Y338-L403 WeakPolarHBondContact OH-CD2 3.49Å; Y338-L403 PolarHBondContact OH-O 2.93Å; Y338-V407 HydrophobicContact CE2-CB 4.39Å; Y338-V407 HydrophobicContact CE2-CG2 3.79Å; Y338-V407 WeakPolarHBondContact OH-CG2 3.44Å | ||
| 339 | S | 95.1 | Very high | 95.1 | Very high | 59 Ų | 59 | 59.4 Ų | 59.4 | 41% | 0.413 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 167.6 | 170.5 | 59 | 0 | 0 | 0 | 0 | 111.3 | Q356 | S339-Q356 PolarHBondContact N-O 3.13Å; S339-Q356 PolarHBondContact O-N 2.92Å; S339-Q356 WeakPolarHBondContact OG-CB 3.44Å; S339-Q356 PolarHBondContact OG-OE1 2.9Å |
| 340 | Y | 95.5 | Very high | 95 | Very high | 47 Ų | 47 | 59.1 Ų | 59.1 | 18% | 0.184 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 129.3 | 172.9 | -63.5 | -69.2 | 0 | 0 | 0 | 110.7 | M326 I329 D330 N342 T344 V353 L355 | M326-Y340 VanDerWaalsContact CA-OH 3.3Å; M326-Y340 WeakPolarHBondContact CA-OH 3.41Å; M326-Y340 HydrophobicContact CB-CE1 4.4Å; M326-Y340 WeakPolarHBondContact CB-OH 3.37Å; M326-Y340 HydrophobicContact CE-CD1 4.16Å; M326-Y340 HydrophobicContact CE-CD2 4.47Å; M326-Y340 HydrophobicContact CE-CE1 3.87Å; M326-Y340 HydrophobicContact CE-CE2 4.2Å; M326-Y340 HydrophobicContact CE-CG 4.45Å; M326-Y340 HydrophobicContact CG-CE1 3.93Å; M326-Y340 PolarHBondContact O-OH 3.29Å; I329-Y340 WeakPolarHBondContact CB-OH 3.2Å; I329-Y340 HydrophobicContact CD1-CE1 4.13Å; I329-Y340 HydrophobicContact CG2-CE1 4.11Å; I329-Y340 WeakPolarHBondContact CG2-OH 3.1Å; D330-Y340 WeakPolarHBondContact OD1-CE2 3.45Å; D330-Y340 PolarHBondContact OD1-OH 3.44Å; Y340-N342 VanDerWaalsContact C-N 3.29Å; Y340-T344 HydrophobicContact CD2-CG2 3.92Å; Y340-T344 HydrophobicContact CE2-CG2 4.28Å; Y340-T344 HydrophobicContact CG-CG2 4.48Å; Y340-V353 HydrophobicContact CD1-CG1 3.9Å; Y340-V353 HydrophobicContact CE1-CG1 3.79Å; Y340-L355 HydrophobicContact CE1-CD1 4.45Å |
| 341 | G | 92.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 55 Ų | 55 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -93 | 17.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113 | S185 C354 | S185-G341 WeakPolarHBondContact CA-O 3.01Å; S185-G341 WeakPolarHBondContact CB-O 3.29Å; G341-C354 PolarHBondContact N-O 3.34Å |
| 342 | N | 94.8 | Very high | 94.9 | Very high | 7 Ų | 7 | 48.4 Ų | 48.4 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -135.5 | 158.4 | 177.1 | 64.2 | -87 | 0 | 0 | 0 | 109.9 | S185 Y340 R349 C354 | S185-N342 WeakPolarHBondContact O-CA 3.5Å; S185-N342 WeakPolarHBondContact O-CB 3.28Å; Y340-N342 VanDerWaalsContact C-N 3.29Å; N342-R349 WeakPolarHBondContact ND2-CD 3.45Å; N342-C354 HydrophobicContact CB-CB 3.99Å; N342-C354 WeakPolarHBondContact OD1-CA 3.49Å; N342-C354 PolarHBondContact OD1-N 2.94Å; N342-C354 PolarHBondContact OD1-O 2.8Å |
| 343 | S | 94.4 | Very high | 95 | Very high | 37 Ų | 37 | 46.7 Ų | 46.7 | 26% | 0.259 | 27% | 0.269 | S | S | . | . | trans | -63 | 143.9 | 171.5 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | D345 V348 R349 | S343-D345 VanDerWaalsContact C-N 3.32Å; S343-D345 PolarHBondContact OG-N 3.17Å; S343-D345 VanDerWaalsContact OG-N 3.13Å; S343-V348 WeakPolarHBondContact OG-CG2 3.31Å; S343-R349 WeakPolarHBondContact O-CD 3.18Å | ||
| 344 | T | 92.9 | Very high | 95 | Very high | 97 Ų | 97 | 46.7 Ų | 46.7 | 60% | 0.595 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -83.7 | -7.1 | 172.2 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | M326 Y340 | M326-T344 HydrophobicContact CE-CG2 3.6Å; Y340-T344 HydrophobicContact CD2-CG2 3.92Å; Y340-T344 HydrophobicContact CE2-CG2 4.28Å; Y340-T344 HydrophobicContact CG-CG2 4.48Å |
| 345 | D | 95 | Very high | 95.2 | Very high | 76 Ų | 76 | 43.6 Ų | 43.6 | 41% | 0.406 | 24% | 0.243 | S | C | . | . | trans | -82.1 | 117 | 174.9 | -176.2 | -7.8 | 0 | 0 | 0 | 111.1 | S343 K347 V348 R349 | S343-D345 VanDerWaalsContact C-N 3.32Å; S343-D345 PolarHBondContact OG-N 3.17Å; S343-D345 VanDerWaalsContact OG-N 3.13Å; D345-K347 PolarHBondContact O-N 2.91Å; D345-K347 VanDerWaalsContact O-N 3.08Å; D345-K347 WeakPolarHBondContact OD1-CB 3.17Å; D345-K347 PolarHBondContact OD1-N 3.21Å; D345-V348 HydrophobicContact CB-CG2 3.95Å; D345-V348 PolarHBondContact O-N 3.23Å; D345-V348 VanDerWaalsContact O-N 3.13Å; D345-R349 PolarHBondContact O-N 2.96Å | ||
| 346 | D | 93.6 | Very high | 95.3 | Very high | 47 Ų | 47 | 36.9 Ų | 36.9 | 25% | 0.251 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -25.5 | 177.9 | -77.3 | -19.2 | 0 | 0 | 0 | 114.4 | R315 L319 V348 R349 | R315-D346 PolarHBondContact NH2-O 3.13Å; L319-D346 HydrophobicContact CD1-CB 4.49Å; L319-D346 HydrophobicContact CD2-CB 3.67Å; D346-V348 VanDerWaalsContact C-N 3.34Å; D346-R349 IonicContact OD1-CZ 2.67Å; D346-R349 IonicContact OD1-NE 3.92Å; D346-R349 IonicContact OD1-NH2 2.8Å; D346-R349 PolarHBondContact OD1-NH2 3.09Å |
| 347 | K | 94.3 | Very high | 95.2 | Very high | 171 Ų | 171 | 33.9 Ų | 33.9 | 74% | 0.743 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -27.8 | -179.1 | -66.1 | 178.2 | -176.6 | 174.2 | 0 | 113.2 | D345 | D345-K347 PolarHBondContact O-N 2.91Å; D345-K347 VanDerWaalsContact O-N 3.08Å; D345-K347 WeakPolarHBondContact OD1-CB 3.17Å; D345-K347 PolarHBondContact OD1-N 3.21Å |
| 348 | V | 95.8 | Very high | 95 | Very high | 58 Ų | 58 | 39 Ų | 39 | 35% | 0.352 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -118.5 | 12.7 | -174.1 | -62.6 | 0 | 0 | 0 | 0 | 112.6 | Q187 I188 S343 D345 D346 | Q187-V348 CarbonylContact C-O 3.26Å; Q187-V348 WeakPolarHBondContact CA-O 3.32Å; I188-V348 PolarHBondContact N-O 2.9Å; S343-V348 WeakPolarHBondContact OG-CG2 3.31Å; D345-V348 HydrophobicContact CB-CG2 3.95Å; D345-V348 PolarHBondContact O-N 3.23Å; D345-V348 VanDerWaalsContact O-N 3.13Å; D346-V348 VanDerWaalsContact C-N 3.34Å |
| 349 | R | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -118.3 | 130.9 | 178.2 | -178 | -174.5 | 59.3 | 83.3 | 0.9 | 111.4 | A186 I188 R315 T322 N342 S343 D345 D346 | A186-R349 HydrophobicContact CB-CG 4.18Å; A186-R349 CarbonylContact O-C 3.26Å; A186-R349 WeakPolarHBondContact O-CA 3.36Å; I188-R349 VanDerWaalsContact CD1-C 3.44Å; I188-R349 VanDerWaalsContact CD1-O 3.25Å; I188-R349 WeakPolarHBondContact CD1-O 3.3Å; R315-R349 PolarHBondContact NH1-O 3.39Å; R315-R349 PolarHBondContact NH2-O 2.84Å; T322-R349 PolarHBondContact OG1-NH1 2.86Å; T322-R349 PolarHBondContact OG1-NH2 3.22Å; N342-R349 WeakPolarHBondContact ND2-CD 3.45Å; S343-R349 WeakPolarHBondContact O-CD 3.18Å; D345-R349 PolarHBondContact O-N 2.96Å; D346-R349 IonicContact OD1-CZ 2.67Å; D346-R349 IonicContact OD1-NE 3.92Å; D346-R349 IonicContact OD1-NH2 2.8Å; D346-R349 PolarHBondContact OD1-NH2 3.09Å |
| 350 | G | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -69.5 | -147.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | A186 R315 | A186-G350 PolarHBondContact O-N 3.24Å; R315-G350 PolarHBondContact NH1-O 3.41Å | ||
| 351 | G | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -89.8 | 2.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y235 | Y235-G351 WeakPolarHBondContact OH-CA 3.43Š|
| 352 | H | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -133.3 | 165.8 | -178.1 | 62.9 | -90.1 | 0 | 0 | 0 | 111.8 | Y183 Y235 C354 L384 A385 | Y183-H352 PolarHBondContact O-NE2 3.44Å; Y235-H352 PolarHBondContact OH-ND1 2.68Å; H352-C354 PolarHBondContact CD2-SG 3.4Å; H352-L384 WeakPolarHBondContact CA-O 3.4Å; H352-L384 WeakPolarHBondContact CB-O 3.39Å; H352-A385 HydrophobicContact CB-CB 3.67Å |
| 353 | V | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.2 | 174.6 | 177.1 | 0 | 0 | 0 | 0 | 107.9 | T322 L325 M326 I329 Y340 R383 L384 | T322-V353 HydrophobicContact CG2-CG2 4.25Å; L325-V353 HydrophobicContact CD2-CB 4.05Å; L325-V353 HydrophobicContact CD2-CG2 3.92Å; M326-V353 HydrophobicContact CG-CG1 4.13Å; M326-V353 HydrophobicContact CG-CG2 3.77Å; M326-V353 HydrophobicContact SD-CG2 4.02Å; I329-V353 HydrophobicContact CD1-CG1 4.2Å; Y340-V353 HydrophobicContact CD1-CG1 3.9Å; Y340-V353 HydrophobicContact CE1-CG1 3.79Å; V353-R383 WeakPolarHBondContact O-CA 3.49Å; V353-L384 PolarHBondContact N-O 3.43Å; V353-L384 PolarHBondContact O-N 3.03Å |
| 354 | C | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 95.3 | -176.7 | -56.3 | 0 | 0 | 0 | 0 | 108.3 | R184 G341 N342 H352 V381 | R184-C354 PolarHBondContact O-SG 2.85Å; G341-C354 PolarHBondContact N-O 3.34Å; N342-C354 HydrophobicContact CB-CB 3.99Å; N342-C354 WeakPolarHBondContact OD1-CA 3.49Å; N342-C354 PolarHBondContact OD1-N 2.94Å; N342-C354 PolarHBondContact OD1-O 2.8Å; H352-C354 PolarHBondContact CD2-SG 3.4Å; C354-V381 HydrophobicContact CB-CG1 3.71Å |
| 355 | L | 96.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 118.4 | -178.2 | -165.9 | 65.5 | 0 | 0 | 0 | 109.5 | I329 L333 Y338 Y340 I382 L403 | I329-L355 HydrophobicContact CD1-CD1 4.16Å; I329-L355 HydrophobicContact CD1-CD2 4.49Å; I329-L355 HydrophobicContact CG2-CD1 3.75Å; L333-L355 HydrophobicContact CD1-CD2 4.37Å; Y338-L355 HydrophobicContact CD1-CD1 4.13Å; Y338-L355 HydrophobicContact CD1-CD2 3.43Å; Y338-L355 VanDerWaalsContact CD1-CD2 3.43Å; Y338-L355 HydrophobicContact CD1-CG 3.52Å; Y338-L355 HydrophobicContact CE1-CD2 3.64Å; Y338-L355 HydrophobicContact CE1-CG 4.16Å; Y338-L355 HydrophobicContact CG-CD1 4.28Å; Y338-L355 HydrophobicContact CG-CD2 4.02Å; Y338-L355 HydrophobicContact CG-CG 4.16Å; Y340-L355 HydrophobicContact CE1-CD1 4.45Å; L355-I382 PolarHBondContact N-O 2.94Å; L355-I382 PolarHBondContact O-N 3.39Å; L355-L403 HydrophobicContact CD2-CD1 3.93Å; L355-L403 HydrophobicContact CD2-CD2 4.41Å |
| 356 | Q | 95.5 | Very high | 92.8 | Very high | 16 Ų | 16 | 28.2 Ų | 28.2 | 8% | 0.075 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 141.5 | 178.2 | -75.4 | 176.9 | -20.1 | 0 | 0 | 111.3 | E158 Y338 S339 N380 V381 | E158-Q356 PolarHBondContact OE1-NE2 3.39Å; Y338-Q356 WeakPolarHBondContact CA-O 3.16Å; S339-Q356 PolarHBondContact N-O 3.13Å; S339-Q356 PolarHBondContact O-N 2.92Å; S339-Q356 WeakPolarHBondContact OG-CB 3.44Å; S339-Q356 PolarHBondContact OG-OE1 2.9Å; Q356-N380 VanDerWaalsContact CA-O 3.24Å; Q356-N380 WeakPolarHBondContact CA-O 3.48Å; Q356-V381 HydrophobicContact CG-CG2 3.95Å |
| 357 | H | 94.9 | Very high | 92.9 | Very high | 9 Ų | 9 | 26 Ų | 26 | 4% | 0.042 | 12% | 0.122 | C | C | . | . | trans | -160.3 | 143.7 | 171.3 | -169 | -75.9 | 0 | 0 | 0 | 109.5 | Y336 Y338 E359 A360 I363 N380 | Y336-H357 PolarHBondContact O-CD2 3.34Å; Y336-H357 VanDerWaalsContact O-CD2 3.25Å; Y336-H357 PolarHBondContact O-NE2 2.93Å; Y336-H357 VanDerWaalsContact O-NE2 3.11Å; Y338-H357 HydrophobicContact CD1-CB 3.75Å; Y338-H357 AromaticContact CD1-CD2 3.72Å; Y338-H357 HydrophobicContact CE1-CB 3.85Å; Y338-H357 AromaticContact CE1-CD2 3.78Å; H357-E359 WeakPolarHBondContact ND1-CB 3.48Å; H357-E359 PolarHBondContact ND1-N 3.35Å; H357-E359 PolarHBondContact O-N 3.17Å; H357-A360 HydrophobicContact CB-CB 4.33Å; H357-A360 WeakPolarHBondContact O-CB 3.31Å; H357-A360 PolarHBondContact O-N 3.25Å; H357-I363 HydrophobicContact CB-CD1 3.94Å; H357-I363 VanDerWaalsContact CG-CD1 3.42Å; H357-I363 VanDerWaalsContact ND1-CD1 3.28Å; H357-I363 WeakPolarHBondContact ND1-CD1 3.14Å; H357-N380 PolarHBondContact N-O 3.39Å; H357-N380 WeakPolarHBondContact O-CB 3.28Å | ||
| 358 | E | 90.3 | Very high | 92.7 | Very high | 166 Ų | 166 | 22.7 Ų | 22.7 | 78% | 0.776 | 10% | 0.104 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -41 | 179.9 | 75.6 | -168.6 | 163.6 | 0 | 0 | 112.1 | A360 | E358-A360 VanDerWaalsContact C-N 3.32Å; E358-A360 PolarHBondContact O-N 3.27Å |
| 359 | E | 90.9 | Very high | 92.3 | Very high | 44 Ų | 44 | 25.6 Ų | 25.6 | 21% | 0.206 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 16.8 | 174.6 | -58.1 | -71.3 | -174.7 | 0 | 0 | 115.3 | H357 Y361 R362 I363 Y412 | H357-E359 WeakPolarHBondContact ND1-CB 3.48Å; H357-E359 PolarHBondContact ND1-N 3.35Å; H357-E359 PolarHBondContact O-N 3.17Å; E359-Y361 PolarHBondContact O-N 2.95Å; E359-Y361 VanDerWaalsContact O-N 3.08Å; E359-R362 PolarHBondContact O-N 3.41Å; E359-R362 IonicContact OE1-CZ 3.03Å; E359-R362 IonicContact OE1-NH1 2.84Å; E359-R362 PolarHBondContact OE1-NH1 2.87Å; E359-R362 WeakPolarHBondContact OE2-CD 3.44Å; E359-R362 IonicContact OE2-CZ 3.71Å; E359-R362 IonicContact OE2-NE 3Å; E359-R362 PolarHBondContact OE2-NE 3.39Å; E359-R362 IonicContact OE2-NH1 3.09Å; E359-R362 PolarHBondContact OE2-NH1 3.21Å; E359-R362 IonicContact OE2-NH2 3.56Å; E359-I363 HydrophobicContact CB-CD1 3.91Å; E359-I363 HydrophobicContact CB-CG1 4.1Å; E359-I363 WeakPolarHBondContact O-CG1 2.98Å; E359-I363 PolarHBondContact O-N 3.07Å; E359-Y412 HydrophobicContact CB-CD2 3.72Å; E359-Y412 HydrophobicContact CB-CE2 3.96Å; E359-Y412 HydrophobicContact CB-CG 4.35Å; E359-Y412 HydrophobicContact CG-CD2 3.64Å; E359-Y412 HydrophobicContact CG-CE2 3.36Å |
| 360 | A | 90.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -53.6 | -36.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | H357 E358 A364 F376 N380 I382 | H357-A360 HydrophobicContact CB-CB 4.33Å; H357-A360 WeakPolarHBondContact O-CB 3.31Å; H357-A360 PolarHBondContact O-N 3.25Å; E358-A360 VanDerWaalsContact C-N 3.32Å; E358-A360 PolarHBondContact O-N 3.27Å; A360-A364 VanDerWaalsContact O-CB 3.23Å; A360-A364 WeakPolarHBondContact O-CB 3.41Å; A360-A364 PolarHBondContact O-N 2.67Å; A360-F376 HydrophobicContact CB-CD2 4.25Å; A360-F376 HydrophobicContact CB-CE2 3.84Å; A360-N380 WeakPolarHBondContact CB-O 3.42Å; A360-I382 HydrophobicContact CB-CD1 4.24Å; A360-I382 HydrophobicContact CB-CG1 3.75Å |
| 361 | Y | 82.2 | Confident | 92 | Very high | 50 Ų | 50 | 29.9 Ų | 29.9 | 20% | 0.196 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.2 | -50.1 | 175.5 | 174.2 | -91.6 | 0 | 0 | 0 | 111.6 | E359 A364 A365 F376 R419 A481 | E359-Y361 PolarHBondContact O-N 2.95Å; E359-Y361 VanDerWaalsContact O-N 3.08Å; Y361-A364 PolarHBondContact O-N 3.14Å; Y361-A365 PolarHBondContact O-N 3.17Å; Y361-F376 AromaticContact CD2-CD1 3.93Å; Y361-F376 HydrophobicContact CD2-CD1 3.93Å; Y361-F376 AromaticContact CD2-CE1 3.79Å; Y361-F376 HydrophobicContact CD2-CE1 3.79Å; Y361-F376 HydrophobicContact CD2-CZ 4.27Å; Y361-F376 HydrophobicContact CG-CE1 4.43Å; Y361-F376 HydrophobicContact CG-CZ 4.48Å; Y361-F376 VanDerWaalsContact N-CE2 3.34Å; Y361-R419 PolarHBondContact OH-NH1 3.15Å; Y361-R419 PolarHBondContact OH-NH2 2.82Å; Y361-A481 HydrophobicContact CD2-CB 4.32Å; Y361-A481 HydrophobicContact CE2-CB 4.3Å |
| 362 | R | 84.6 | Confident | 92.2 | Very high | 21 Ų | 21 | 29.9 Ų | 29.9 | 8% | 0.079 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69 | -37.2 | -178 | -70.2 | 171.7 | 42 | -157.6 | -2.7 | 111 | E359 A365 A366 Y412 E413 Y415 | E359-R362 PolarHBondContact O-N 3.41Å; E359-R362 IonicContact OE1-CZ 3.03Å; E359-R362 IonicContact OE1-NH1 2.84Å; E359-R362 PolarHBondContact OE1-NH1 2.87Å; E359-R362 WeakPolarHBondContact OE2-CD 3.44Å; E359-R362 IonicContact OE2-CZ 3.71Å; E359-R362 IonicContact OE2-NE 3Å; E359-R362 PolarHBondContact OE2-NE 3.39Å; E359-R362 IonicContact OE2-NH1 3.09Å; E359-R362 PolarHBondContact OE2-NH1 3.21Å; E359-R362 IonicContact OE2-NH2 3.56Å; R362-A365 PolarHBondContact O-N 3.32Å; R362-A366 WeakPolarHBondContact O-CB 3.28Å; R362-A366 PolarHBondContact O-N 3.39Å; R362-Y412 HydrophobicContact CB-CD2 4.43Å; R362-Y412 VanDerWaalsContact CZ-CD2 3.5Å; R362-Y412 PolarHBondContact NE-O 3.06Å; R362-Y412 VanDerWaalsContact NH2-C 3.3Å; R362-Y412 VanDerWaalsContact NH2-CE2 3.29Å; R362-Y412 PolarHBondContact NH2-O 2.93Å; R362-Y412 VanDerWaalsContact NH2-O 3.13Å; R362-E413 VanDerWaalsContact NH2-N 3.15Å; R362-Y415 WeakPolarHBondContact CD-O 3.43Å; R362-Y415 WeakPolarHBondContact CG-O 3.33Å; R362-Y415 PolarHBondContact NE-O 3.3Å; R362-Y415 VanDerWaalsContact NE-O 3.07Å |
| 363 | I | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.7 | -45.5 | 172.2 | -65.7 | 166.3 | 0 | 0 | 0 | 110.7 | Y338 H357 E359 A365 A366 L367 I382 L403 I406 V407 Y412 | Y338-I363 HydrophobicContact CE1-CD1 4.12Å; H357-I363 HydrophobicContact CB-CD1 3.94Å; H357-I363 VanDerWaalsContact CG-CD1 3.42Å; H357-I363 VanDerWaalsContact ND1-CD1 3.28Å; H357-I363 WeakPolarHBondContact ND1-CD1 3.14Å; E359-I363 HydrophobicContact CB-CD1 3.91Å; E359-I363 HydrophobicContact CB-CG1 4.1Å; E359-I363 WeakPolarHBondContact O-CG1 2.98Å; E359-I363 PolarHBondContact O-N 3.07Å; I363-A365 VanDerWaalsContact C-N 3.29Å; I363-A365 PolarHBondContact O-N 2.85Å; I363-A366 PolarHBondContact O-N 3.24Å; I363-L367 HydrophobicContact CG2-CD1 4.46Å; I363-L367 WeakPolarHBondContact O-CG 3.39Å; I363-L367 PolarHBondContact O-N 3.07Å; I363-I382 HydrophobicContact CB-CD1 3.85Å; I363-I382 HydrophobicContact CG2-CD1 3.47Å; I363-I382 VanDerWaalsContact CG2-CD1 3.47Å; I363-L403 HydrophobicContact CG2-CD2 3.82Å; I363-I406 HydrophobicContact CB-CG2 4.37Å; I363-I406 HydrophobicContact CG1-CG2 4.12Å; I363-I406 HydrophobicContact CG2-CG2 4.17Å; I363-V407 HydrophobicContact CD1-CG2 3.62Å; I363-V407 HydrophobicContact CG1-CG2 4.06Å; I363-Y412 HydrophobicContact CG1-CD1 4.34Å; I363-Y412 HydrophobicContact CG1-CG 4.2Å |
| 364 | A | 91.6 | Very high | 92 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.8 | -36.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A360 Y361 R368 P374 F376 I382 | A360-A364 VanDerWaalsContact O-CB 3.23Å; A360-A364 WeakPolarHBondContact O-CB 3.41Å; A360-A364 PolarHBondContact O-N 2.67Å; Y361-A364 PolarHBondContact O-N 3.14Å; A364-R368 PolarHBondContact O-N 3.33Å; A364-P374 HydrophobicContact CB-CG 4.12Å; A364-F376 HydrophobicContact CB-CB 4.1Å; A364-F376 HydrophobicContact CB-CD2 4.49Å; A364-I382 HydrophobicContact CB-CG1 4.41Å |
| 365 | A | 83.1 | Confident | 91.9 | Very high | 10 Ų | 10 | 32.2 Ų | 32.2 | 8% | 0.083 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.2 | -43.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y361 R362 I363 L367 R368 N369 Y415 | Y361-A365 PolarHBondContact O-N 3.17Å; R362-A365 PolarHBondContact O-N 3.32Å; I363-A365 VanDerWaalsContact C-N 3.29Å; I363-A365 PolarHBondContact O-N 2.85Å; A365-L367 VanDerWaalsContact C-N 3.34Å; A365-L367 PolarHBondContact O-N 3.2Å; A365-R368 PolarHBondContact O-N 3.4Å; A365-N369 PolarHBondContact O-N 2.99Å; A365-Y415 HydrophobicContact CB-CD1 3.5Å; A365-Y415 VanDerWaalsContact CB-CD1 3.5Å; A365-Y415 HydrophobicContact CB-CE1 3.8Å; A365-Y415 HydrophobicContact CB-CG 4.14Å |
| 366 | A | 91.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.7 | -37.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R362 I363 N369 N370 I406 I411 Y415 | R362-A366 WeakPolarHBondContact O-CB 3.28Å; R362-A366 PolarHBondContact O-N 3.39Å; I363-A366 PolarHBondContact O-N 3.24Å; A366-N369 PolarHBondContact O-N 2.96Å; A366-N370 PolarHBondContact O-N 3.35Å; A366-N370 VanDerWaalsContact O-N 3.07Å; A366-N370 PolarHBondContact O-ND2 2.82Å; A366-I406 HydrophobicContact CB-CB 4.47Å; A366-I406 HydrophobicContact CB-CD1 3.73Å; A366-I406 HydrophobicContact CB-CG1 3.9Å; A366-I406 HydrophobicContact CB-CG2 3.7Å; A366-I411 HydrophobicContact CB-CG2 4.27Å; A366-Y415 WeakPolarHBondContact CA-OH 3.45Å; A366-Y415 HydrophobicContact CB-CD2 4.3Å; A366-Y415 HydrophobicContact CB-CE2 3.61Å |
| 367 | L | 96.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.6 | -48.7 | 173.5 | -80.4 | 174 | 0 | 0 | 0 | 111.6 | I363 A365 N369 N370 G371 V372 P374 I382 T402 L403 I406 | I363-L367 HydrophobicContact CG2-CD1 4.46Å; I363-L367 WeakPolarHBondContact O-CG 3.39Å; I363-L367 PolarHBondContact O-N 3.07Å; A365-L367 VanDerWaalsContact C-N 3.34Å; A365-L367 PolarHBondContact O-N 3.2Å; L367-N369 VanDerWaalsContact C-N 3.32Å; L367-N369 PolarHBondContact O-N 3.21Å; L367-N370 CarbonylContact O-C 3.4Å; L367-N370 VanDerWaalsContact O-C 3.3Å; L367-N370 WeakPolarHBondContact O-CA 3.11Å; L367-N370 PolarHBondContact O-N 3.03Å; L367-G371 PolarHBondContact O-N 3.07Å; L367-V372 CarbonylContact C-O 3.6Å; L367-V372 HydrophobicContact CB-CB 4.13Å; L367-V372 HydrophobicContact CB-CG1 4.46Å; L367-V372 HydrophobicContact CD2-CB 4.02Å; L367-V372 HydrophobicContact CD2-CG1 4.15Å; L367-V372 HydrophobicContact CD2-CG2 4.22Å; L367-V372 PolarHBondContact O-N 2.99Å; L367-P374 HydrophobicContact CB-CG 4.04Å; L367-P374 HydrophobicContact CD1-CB 4.14Å; L367-P374 HydrophobicContact CD1-CG 3.91Å; L367-I382 HydrophobicContact CD1-CG2 4.21Å; L367-T402 HydrophobicContact CD2-CG2 3.85Å; L367-L403 HydrophobicContact CD1-CD2 3.74Å; L367-L403 HydrophobicContact CD1-CG 4.45Å; L367-L403 HydrophobicContact CD2-CD2 4.08Å; L367-L403 HydrophobicContact CD2-CG 4.1Å; L367-L403 HydrophobicContact CG-CD2 4.21Å; L367-I406 HydrophobicContact CB-CD1 4.36Å; L367-I406 HydrophobicContact CD2-CD1 3.71Å; L367-I406 HydrophobicContact CG-CD1 3.78Å |
| 368 | R | 90.4 | Very high | 89.7 | Confident | 101 Ų | 101 | 38.4 Ų | 38.4 | 38% | 0.381 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -57.6 | -44.2 | 177.2 | -73.8 | -173.8 | -71.2 | -89.7 | -0.3 | 112.2 | A364 A365 N370 G371 V372 | A364-R368 PolarHBondContact O-N 3.33Å; A365-R368 PolarHBondContact O-N 3.4Å; R368-N370 PolarHBondContact O-N 3.14Å; R368-G371 PolarHBondContact O-N 3.24Å; R368-G371 VanDerWaalsContact O-N 3.07Å; R368-V372 WeakPolarHBondContact CA-O 3.44Å; R368-V372 PolarHBondContact N-O 3.31Å |
| 369 | N | 88.3 | Confident | 88.8 | Confident | 120 Ų | 120 | 34.3 Ų | 34.3 | 64% | 0.642 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -68 | -18.3 | 176.7 | -79.2 | 3.3 | 0 | 0 | 0 | 113.6 | A365 A366 L367 Y415 | A365-N369 PolarHBondContact O-N 2.99Å; A366-N369 PolarHBondContact O-N 2.96Å; L367-N369 VanDerWaalsContact C-N 3.32Å; L367-N369 PolarHBondContact O-N 3.21Å; N369-Y415 VanDerWaalsContact CB-OH 3.28Å; N369-Y415 WeakPolarHBondContact CB-OH 3.41Å; N369-Y415 WeakPolarHBondContact ND2-CE1 3.47Å; N369-Y415 PolarHBondContact ND2-OH 3.46Å |
| 370 | N | 92.8 | Very high | 88.7 | Confident | 65 Ų | 65 | 34.3 Ų | 34.3 | 35% | 0.348 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 22 | 172.9 | -73.8 | -92.7 | 0 | 0 | 0 | 112.5 | A366 L367 R368 V372 T402 | A366-N370 PolarHBondContact O-N 3.35Å; A366-N370 VanDerWaalsContact O-N 3.07Å; A366-N370 PolarHBondContact O-ND2 2.82Å; L367-N370 CarbonylContact O-C 3.4Å; L367-N370 VanDerWaalsContact O-C 3.3Å; L367-N370 WeakPolarHBondContact O-CA 3.11Å; L367-N370 PolarHBondContact O-N 3.03Å; R368-N370 PolarHBondContact O-N 3.14Å; N370-V372 VanDerWaalsContact C-N 3.33Å; N370-V372 PolarHBondContact O-N 3.47Å; N370-T402 HydrophobicContact CB-CG2 3.69Å |
| 371 | G | 93.1 | Very high | 88.8 | Confident | 24 Ų | 24 | 34.3 Ų | 34.3 | 25% | 0.247 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 9.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | E34 I35 L367 R368 | E34-G371 CarbonylContact C-O 3.52Å; E34-G371 WeakPolarHBondContact CA-O 3.47Å; I35-G371 PolarHBondContact N-O 3.08Å; L367-G371 PolarHBondContact O-N 3.07Å; R368-G371 PolarHBondContact O-N 3.24Å; R368-G371 VanDerWaalsContact O-N 3.07Å |
| 372 | V | 97.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 128.4 | 174.8 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | I35 M37 L367 R368 N370 P374 V399 T402 | I35-V372 HydrophobicContact CB-CG2 4.32Å; I35-V372 HydrophobicContact CD1-CG2 4.38Å; I35-V372 WeakPolarHBondContact O-CA 3.45Å; M37-V372 HydrophobicContact CG-CG1 4.3Å; L367-V372 CarbonylContact C-O 3.6Å; L367-V372 HydrophobicContact CB-CB 4.13Å; L367-V372 HydrophobicContact CB-CG1 4.46Å; L367-V372 HydrophobicContact CD2-CB 4.02Å; L367-V372 HydrophobicContact CD2-CG1 4.15Å; L367-V372 HydrophobicContact CD2-CG2 4.22Å; L367-V372 PolarHBondContact O-N 2.99Å; R368-V372 WeakPolarHBondContact CA-O 3.44Å; R368-V372 PolarHBondContact N-O 3.31Å; N370-V372 VanDerWaalsContact C-N 3.33Å; N370-V372 PolarHBondContact O-N 3.47Å; V372-P374 WeakPolarHBondContact O-CD 3.42Å; V372-V399 HydrophobicContact CG1-CG1 4.4Å; V372-V399 HydrophobicContact CG1-CG2 3.87Å; V372-V399 HydrophobicContact CG2-CG2 4.16Å; V372-T402 HydrophobicContact CG2-CG2 4.41Å |
| 373 | V | 96.1 | Very high | 90.1 | Very high | 31 Ų | 31 | 31 Ų | 31 | 19% | 0.188 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 94 | 176.9 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | E34 I35 Y36 M37 D38 | E34-V373 HydrophobicContact CG-CG2 3.75Å; I35-V373 PolarHBondContact O-N 3.37Å; Y36-V373 HydrophobicContact CD2-CB 3.89Å; Y36-V373 HydrophobicContact CD2-CG1 4.04Å; Y36-V373 HydrophobicContact CD2-CG2 4.16Å; Y36-V373 HydrophobicContact CE2-CB 4.21Å; Y36-V373 HydrophobicContact CE2-CG1 3.82Å; M37-V373 CarbonylContact C-O 3.6Å; M37-V373 WeakPolarHBondContact CA-O 3.49Å; M37-V373 WeakPolarHBondContact CB-O 3.23Å; M37-V373 PolarHBondContact N-O 3.21Å; D38-V373 HydrophobicContact CB-CG1 4.19Å; D38-V373 PolarHBondContact N-O 3.23Å |
| 374 | P | 95.6 | Very high | 90.3 | Very high | 4 Ų | 4 | 31 Ų | 31 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | trans | -91.1 | 173.6 | 170.2 | 39.9 | -38.6 | 0 | 0 | 0 | 110.9 | A364 L367 V372 I382 L384 | A364-P374 HydrophobicContact CB-CG 4.12Å; L367-P374 HydrophobicContact CB-CG 4.04Å; L367-P374 HydrophobicContact CD1-CB 4.14Å; L367-P374 HydrophobicContact CD1-CG 3.91Å; V372-P374 WeakPolarHBondContact O-CD 3.42Å; P374-I382 HydrophobicContact CB-CG2 3.73Å; P374-I382 HydrophobicContact CG-CG2 4.43Å; P374-L384 HydrophobicContact CB-CD2 3.87Å | ||
| 375 | D | 92.8 | Very high | 90.5 | Very high | 15 Ų | 15 | 31 Ų | 31 | 8% | 0.08 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 143.7 | 161.6 | 178.1 | 74.5 | 0 | 0 | 0 | 111.3 | D38 R377 I382 R383 | D38-D375 WeakPolarHBondContact OD1-CB 3.35Å; D375-R377 IonicContact OD1-CZ 2.83Å; D375-R377 VanDerWaalsContact OD1-CZ 3.25Å; D375-R377 IonicContact OD1-NH1 2.75Å; D375-R377 PolarHBondContact OD1-NH1 2.81Å; D375-R377 IonicContact OD1-NH2 3.7Å; D375-R377 PolarHBondContact OD1-NH2 3.18Å; D375-R377 IonicContact OD2-CZ 2.81Å; D375-R377 IonicContact OD2-NE 3.72Å; D375-R377 PolarHBondContact OD2-NE 3.42Å; D375-R377 IonicContact OD2-NH1 3.53Å; D375-R377 PolarHBondContact OD2-NH1 2.84Å; D375-R377 IonicContact OD2-NH2 3.66Å; D375-R377 PolarHBondContact OD2-NH2 2.6Å; D375-I382 CarbonylContact O-C 3.57Å; D375-I382 WeakPolarHBondContact O-CA 3.05Å; D375-R383 HydrophobicContact CB-CB 4.28Å; D375-R383 PolarHBondContact N-O 2.84Å; D375-R383 VanDerWaalsContact N-O 3.14Å; D375-R383 PolarHBondContact O-N 2.87Å; D375-R383 IonicContact OD1-NH2 3.2Å; D375-R383 IonicContact OD2-CZ 2.73Å; D375-R383 IonicContact OD2-NE 3.59Å; D375-R383 PolarHBondContact OD2-NE 2.96Å; D375-R383 IonicContact OD2-NH2 2.85Å; D375-R383 PolarHBondContact OD2-NH2 3.18Å |
| 376 | F | 88.4 | Confident | 91.2 | Very high | 29 Ų | 29 | 30.5 Ų | 30.5 | 13% | 0.127 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 138.7 | 179.3 | 171.5 | -102.2 | 0 | 0 | 0 | 110.3 | A360 Y361 A364 E378 V381 | A360-F376 HydrophobicContact CB-CD2 4.25Å; A360-F376 HydrophobicContact CB-CE2 3.84Å; Y361-F376 AromaticContact CD2-CD1 3.93Å; Y361-F376 HydrophobicContact CD2-CD1 3.93Å; Y361-F376 AromaticContact CD2-CE1 3.79Å; Y361-F376 HydrophobicContact CD2-CE1 3.79Å; Y361-F376 HydrophobicContact CD2-CZ 4.27Å; Y361-F376 HydrophobicContact CG-CE1 4.43Å; Y361-F376 HydrophobicContact CG-CZ 4.48Å; Y361-F376 VanDerWaalsContact N-CE2 3.34Å; A364-F376 HydrophobicContact CB-CB 4.1Å; A364-F376 HydrophobicContact CB-CD2 4.49Å; F376-E378 HydrophobicContact CE1-CG 4.07Å; F376-E378 WeakPolarHBondContact CE1-OE1 3.18Å; F376-V381 CarbonylContact C-O 3.57Å; F376-V381 WeakPolarHBondContact CA-O 3.47Å; F376-V381 VanDerWaalsContact CD2-O 3.28Å; F376-V381 WeakPolarHBondContact CD2-O 3.17Å |
| 377 | R | 84.4 | Confident | 91.5 | Very high | 49 Ų | 49 | 31 Ų | 31 | 19% | 0.185 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 128.8 | 174.6 | -67.7 | -60.6 | -178.4 | -100.9 | -4.1 | 110.4 | Y183 D375 N380 V381 R383 | Y183-R377 HydrophobicContact CE2-CG 4.26Å; D375-R377 IonicContact OD1-CZ 2.83Å; D375-R377 VanDerWaalsContact OD1-CZ 3.25Å; D375-R377 IonicContact OD1-NH1 2.75Å; D375-R377 PolarHBondContact OD1-NH1 2.81Å; D375-R377 IonicContact OD1-NH2 3.7Å; D375-R377 PolarHBondContact OD1-NH2 3.18Å; D375-R377 IonicContact OD2-CZ 2.81Å; D375-R377 IonicContact OD2-NE 3.72Å; D375-R377 PolarHBondContact OD2-NE 3.42Å; D375-R377 IonicContact OD2-NH1 3.53Å; D375-R377 PolarHBondContact OD2-NH1 2.84Å; D375-R377 IonicContact OD2-NH2 3.66Å; D375-R377 PolarHBondContact OD2-NH2 2.6Å; R377-N380 PolarHBondContact O-N 3.39Å; R377-V381 HydrophobicContact CB-CB 4.24Å; R377-V381 PolarHBondContact N-O 3.4Å; R377-V381 WeakPolarHBondContact O-CA 3.49Å; R377-V381 WeakPolarHBondContact O-CB 3.09Å; R377-V381 PolarHBondContact O-N 2.87Å; R377-R383 HydrophobicContact CG-CG 4.27Å |
| 378 | E | 68.9 | Low | 91.6 | Very high | 77 Ų | 77 | 31.1 Ų | 31.1 | 36% | 0.36 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 152.7 | 177.3 | -66.6 | -70.3 | 175.4 | 0 | 0 | 111.9 | R184 F376 | R184-E378 PolarHBondContact NE-O 2.8Å; R184-E378 VanDerWaalsContact NE-O 3.14Å; F376-E378 HydrophobicContact CE1-CG 4.07Å; F376-E378 WeakPolarHBondContact CE1-OE1 3.18Å |
| 379 | P | 72.4 | Confident | 91.9 | Very high | 80 Ų | 80 | 26.4 Ų | 26.4 | 52% | 0.519 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -77.9 | -22.2 | -8.3 | 29.8 | -32.9 | 0 | 0 | 0 | 113.7 | ||
| 380 | N | 87.8 | Confident | 92.3 | Very high | 44 Ų | 44 | 20.8 Ų | 20.8 | 24% | 0.235 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -152.4 | 24.4 | -158.4 | 69 | -20.1 | 0 | 0 | 0 | 114.6 | Q356 H357 A360 R377 | Q356-N380 VanDerWaalsContact CA-O 3.24Å; Q356-N380 WeakPolarHBondContact CA-O 3.48Å; H357-N380 PolarHBondContact N-O 3.39Å; H357-N380 WeakPolarHBondContact O-CB 3.28Å; A360-N380 WeakPolarHBondContact CB-O 3.42Å; R377-N380 PolarHBondContact O-N 3.39Å |
| 381 | V | 92.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.5 | -173.5 | -173.9 | 0 | 0 | 0 | 0 | 111.9 | C354 Q356 F376 R377 R383 | C354-V381 HydrophobicContact CB-CG1 3.71Å; Q356-V381 HydrophobicContact CG-CG2 3.95Å; F376-V381 CarbonylContact C-O 3.57Å; F376-V381 WeakPolarHBondContact CA-O 3.47Å; F376-V381 VanDerWaalsContact CD2-O 3.28Å; F376-V381 WeakPolarHBondContact CD2-O 3.17Å; R377-V381 HydrophobicContact CB-CB 4.24Å; R377-V381 PolarHBondContact N-O 3.4Å; R377-V381 WeakPolarHBondContact O-CA 3.49Å; R377-V381 WeakPolarHBondContact O-CB 3.09Å; R377-V381 PolarHBondContact O-N 2.87Å; V381-R383 HydrophobicContact CG1-CG 4.11Å |
| 382 | I | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 114 | 166 | -49.2 | 176.8 | 0 | 0 | 0 | 107.6 | L355 A360 I363 A364 L367 P374 D375 L384 L403 | L355-I382 PolarHBondContact N-O 2.94Å; L355-I382 PolarHBondContact O-N 3.39Å; A360-I382 HydrophobicContact CB-CD1 4.24Å; A360-I382 HydrophobicContact CB-CG1 3.75Å; I363-I382 HydrophobicContact CB-CD1 3.85Å; I363-I382 HydrophobicContact CG2-CD1 3.47Å; I363-I382 VanDerWaalsContact CG2-CD1 3.47Å; A364-I382 HydrophobicContact CB-CG1 4.41Å; L367-I382 HydrophobicContact CD1-CG2 4.21Å; P374-I382 HydrophobicContact CB-CG2 3.73Å; P374-I382 HydrophobicContact CG-CG2 4.43Å; D375-I382 CarbonylContact O-C 3.57Å; D375-I382 WeakPolarHBondContact O-CA 3.05Å; I382-L384 HydrophobicContact CG2-CD2 4.11Å; I382-L384 HydrophobicContact CG2-CG 4.24Å; I382-L403 HydrophobicContact CD1-CD2 4.48Å |
| 383 | R | 97.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 123 | 174.4 | -59.5 | -166.6 | -57.5 | 150.4 | 8.5 | 109.3 | N40 Y183 H211 V353 D375 R377 V381 | N40-R383 VanDerWaalsContact ND2-CZ 3.29Å; N40-R383 PolarHBondContact ND2-NH1 3.45Å; Y183-R383 WeakPolarHBondContact O-CD 3.28Å; Y183-R383 PolarHBondContact O-NH1 3.08Å; H211-R383 PolarHBondContact CE1-NH1 3.48Å; V353-R383 WeakPolarHBondContact O-CA 3.49Å; D375-R383 HydrophobicContact CB-CB 4.28Å; D375-R383 PolarHBondContact N-O 2.84Å; D375-R383 VanDerWaalsContact N-O 3.14Å; D375-R383 PolarHBondContact O-N 2.87Å; D375-R383 IonicContact OD1-NH2 3.2Å; D375-R383 IonicContact OD2-CZ 2.73Å; D375-R383 IonicContact OD2-NE 3.59Å; D375-R383 PolarHBondContact OD2-NE 2.96Å; D375-R383 IonicContact OD2-NH2 2.85Å; D375-R383 PolarHBondContact OD2-NH2 3.18Å; R377-R383 HydrophobicContact CG-CG 4.27Å; V381-R383 HydrophobicContact CG1-CG 4.11Å |
| 384 | L | 98.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 116.7 | 177.3 | -61.6 | 171.2 | 0 | 0 | 0 | 108.1 | M37 L325 H352 V353 P374 I382 P386 V399 L403 | M37-L384 HydrophobicContact CB-CD2 4.12Å; M37-L384 HydrophobicContact CE-CB 4.05Å; M37-L384 HydrophobicContact CG-CD2 4.5Å; L325-L384 HydrophobicContact CD2-CB 4.03Å; H352-L384 WeakPolarHBondContact CA-O 3.4Å; H352-L384 WeakPolarHBondContact CB-O 3.39Å; V353-L384 PolarHBondContact N-O 3.43Å; V353-L384 PolarHBondContact O-N 3.03Å; P374-L384 HydrophobicContact CB-CD2 3.87Å; I382-L384 HydrophobicContact CG2-CD2 4.11Å; I382-L384 HydrophobicContact CG2-CG 4.24Å; L384-P386 VanDerWaalsContact O-CD 3.25Å; L384-P386 WeakPolarHBondContact O-CD 3.4Å; L384-V399 HydrophobicContact CD1-CG1 4.22Å; L384-V399 HydrophobicContact CD2-CG1 4.29Å; L384-L403 HydrophobicContact CD1-CD1 3.94Å |
| 385 | A | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | B | Isolated β-bridge | trans | -113.7 | 90.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | M37 N40 H352 I387 | M37-A385 WeakPolarHBondContact O-CB 3.34Å; M37-A385 PolarHBondContact O-N 3.33Å; N40-A385 HydrophobicContact CB-CB 3.78Å; N40-A385 VanDerWaalsContact OD1-CB 3.31Å; N40-A385 WeakPolarHBondContact OD1-CB 3.3Å; H352-A385 HydrophobicContact CB-CB 3.67Å; A385-I387 HydrophobicContact CB-CD1 3.96Å; A385-I387 WeakPolarHBondContact O-CG1 3.39Å; A385-I387 PolarHBondContact O-N 2.9Å |
| 386 | P | 97.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -63.6 | 103.8 | 166.8 | -14.1 | 25.4 | 0 | 0 | 0 | 110.2 | M37 K321 T322 L325 L384 T391 I396 | M37-P386 HydrophobicContact CE-CB 4.4Å; M37-P386 HydrophobicContact CE-CG 3.82Å; K321-P386 HydrophobicContact CB-CB 3.98Å; T322-P386 HydrophobicContact CG2-CB 4.39Å; T322-P386 HydrophobicContact CG2-CG 3.86Å; L325-P386 HydrophobicContact CB-CG 4.37Å; L325-P386 HydrophobicContact CD2-CG 3.63Å; L384-P386 VanDerWaalsContact O-CD 3.25Å; L384-P386 WeakPolarHBondContact O-CD 3.4Å; P386-T391 HydrophobicContact CB-CG2 4.16Å; P386-I396 HydrophobicContact CB-CD1 3.9Å; P386-I396 HydrophobicContact CB-CG1 4.22Å; P386-I396 HydrophobicContact CG-CD1 4.36Å; P386-I396 HydrophobicContact CG-CG1 4.43Å | ||
| 387 | I | 97.5 | Very high | 93.7 | Very high | 10 Ų | 10 | 17.4 Ų | 17.4 | 5% | 0.051 | 9% | 0.089 | C | C | . | . | trans | -83.4 | 129.8 | -179.2 | -54.6 | -55.7 | 0 | 0 | 0 | 109.4 | Y235 A385 L389 Y390 T391 | Y235-I387 HydrophobicContact CD1-CD1 3.69Å; Y235-I387 HydrophobicContact CE1-CD1 3.57Å; A385-I387 HydrophobicContact CB-CD1 3.96Å; A385-I387 WeakPolarHBondContact O-CG1 3.39Å; A385-I387 PolarHBondContact O-N 2.9Å; I387-L389 PolarHBondContact O-N 3.35Å; I387-L389 VanDerWaalsContact O-N 3.14Å; I387-Y390 HydrophobicContact CB-CD1 4.41Å; I387-Y390 HydrophobicContact CB-CD2 4.05Å; I387-Y390 HydrophobicContact CB-CE1 4.03Å; I387-Y390 HydrophobicContact CB-CE2 3.62Å; I387-Y390 HydrophobicContact CB-CG 4.44Å; I387-Y390 HydrophobicContact CG1-CE1 4.39Å; I387-Y390 HydrophobicContact CG1-CE2 3.68Å; I387-Y390 HydrophobicContact CG2-CD1 3.94Å; I387-Y390 HydrophobicContact CG2-CD2 4.47Å; I387-Y390 HydrophobicContact CG2-CE1 3.52Å; I387-Y390 HydrophobicContact CG2-CE2 4.09Å; I387-Y390 HydrophobicContact CG2-CG 4.41Å; I387-Y390 PolarHBondContact O-N 2.92Å; I387-T391 PolarHBondContact N-OG1 3.12Å; I387-T391 WeakPolarHBondContact O-CB 3.4Å; I387-T391 PolarHBondContact O-N 3.17Å | ||
| 388 | A | 97 | Very high | 94.3 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 3% | 0.025 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -39.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L21 I314 N317 K321 | L21-A388 HydrophobicContact CD1-CB 4.3Å; I314-A388 HydrophobicContact CG2-CB 4.04Å; I314-A388 WeakPolarHBondContact O-CB 3.43Å; N317-A388 HydrophobicContact CB-CB 4.1Å; N317-A388 VanDerWaalsContact OD1-CA 3.23Å; N317-A388 WeakPolarHBondContact OD1-CA 3.43Å; N317-A388 WeakPolarHBondContact OD1-CB 3.12Å; N317-A388 PolarHBondContact OD1-O 2.94Å; K321-A388 PolarHBondContact NZ-O 2.89Å |
| 389 | L | 96.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 14.4 Ų | 14.4 | 2% | 0.016 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -25 | -171.5 | -59.4 | 179.3 | 0 | 0 | 0 | 114.4 | Y24 R25 F28 I305 F306 L309 I314 I387 | Y24-L389 CarbonylContact C-O 3.55Å; Y24-L389 VanDerWaalsContact C-O 3.26Å; R25-L389 WeakPolarHBondContact CA-O 3.07Å; R25-L389 PolarHBondContact N-O 3.07Å; F28-L389 HydrophobicContact CE2-CB 3.71Å; F28-L389 HydrophobicContact CE2-CD1 4.25Å; F28-L389 HydrophobicContact CZ-CB 3.96Å; F28-L389 HydrophobicContact CZ-CD1 3.75Å; I305-L389 HydrophobicContact CG2-CD1 4.16Å; I305-L389 HydrophobicContact CG2-CD2 4.3Å; F306-L389 HydrophobicContact CE2-CD1 4.17Å; F306-L389 HydrophobicContact CZ-CD1 4.05Å; L309-L389 HydrophobicContact CD1-CD2 3.32Å; I314-L389 HydrophobicContact CG1-CD2 4.47Å; I387-L389 PolarHBondContact O-N 3.35Å; I387-L389 VanDerWaalsContact O-N 3.14Å |
| 390 | Y | 96.7 | Very high | 97 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 1% | 0.008 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -146.8 | -2.4 | -168.7 | 59.4 | -111.3 | 0 | 0 | 0 | 116.1 | R25 F28 I30 Y36 G39 M44 I387 | R25-Y390 PolarHBondContact NH1-O 3.05Å; F28-Y390 HydrophobicContact CB-CD1 4.43Å; F28-Y390 AromaticContact CD1-CD1 3.69Å; F28-Y390 HydrophobicContact CD1-CD1 3.69Å; F28-Y390 HydrophobicContact CD1-CE1 4.09Å; F28-Y390 AromaticContact CD2-CD1 3.89Å; F28-Y390 HydrophobicContact CD2-CD1 3.89Å; F28-Y390 HydrophobicContact CD2-CG 4.35Å; F28-Y390 AromaticContact CE1-CD1 3.84Å; F28-Y390 HydrophobicContact CE1-CD1 3.84Å; F28-Y390 HydrophobicContact CE1-CE1 4.1Å; F28-Y390 HydrophobicContact CE2-CD1 4.06Å; F28-Y390 AromaticContact CG-CD1 3.72Å; F28-Y390 HydrophobicContact CG-CD1 3.72Å; F28-Y390 HydrophobicContact CG-CG 4.23Å; F28-Y390 HydrophobicContact CZ-CD1 4.03Å; I30-Y390 HydrophobicContact CD1-CD2 4.12Å; I30-Y390 HydrophobicContact CD1-CG 4.27Å; Y36-Y390 HydrophobicContact CD1-CE2 4.2Å; G39-Y390 VanDerWaalsContact CA-OH 3.3Å; G39-Y390 WeakPolarHBondContact CA-OH 3.44Å; M44-Y390 HydrophobicContact CB-CD1 4.42Å; M44-Y390 HydrophobicContact CB-CE1 4.01Å; M44-Y390 HydrophobicContact CB-CE2 4.39Å; M44-Y390 HydrophobicContact CG-CD2 4.23Å; M44-Y390 HydrophobicContact CG-CE1 4.22Å; M44-Y390 HydrophobicContact CG-CE2 3.71Å; M44-Y390 PolarHBondContact N-OH 2.9Å; I387-Y390 HydrophobicContact CB-CD1 4.41Å; I387-Y390 HydrophobicContact CB-CD2 4.05Å; I387-Y390 HydrophobicContact CB-CE1 4.03Å; I387-Y390 HydrophobicContact CB-CE2 3.62Å; I387-Y390 HydrophobicContact CB-CG 4.44Å; I387-Y390 HydrophobicContact CG1-CE1 4.39Å; I387-Y390 HydrophobicContact CG1-CE2 3.68Å; I387-Y390 HydrophobicContact CG2-CD1 3.94Å; I387-Y390 HydrophobicContact CG2-CD2 4.47Å; I387-Y390 HydrophobicContact CG2-CE1 3.52Å; I387-Y390 HydrophobicContact CG2-CE2 4.09Å; I387-Y390 HydrophobicContact CG2-CG 4.41Å; I387-Y390 PolarHBondContact O-N 2.92Å |
| 391 | T | 97.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.006 | 6% | 0.058 | C | C | . | . | trans | -92.8 | 128.6 | 168.5 | -53.4 | 0 | 0 | 0 | 0 | 109.7 | M37 K321 P386 I387 E395 I396 | M37-T391 HydrophobicContact SD-CG2 3.73Å; K321-T391 VanDerWaalsContact CE-O 3.22Å; K321-T391 WeakPolarHBondContact CE-O 3.49Å; K321-T391 PolarHBondContact NZ-O 3.14Å; P386-T391 HydrophobicContact CB-CG2 4.16Å; I387-T391 PolarHBondContact N-OG1 3.12Å; I387-T391 WeakPolarHBondContact O-CB 3.4Å; I387-T391 PolarHBondContact O-N 3.17Å; T391-E395 WeakPolarHBondContact CA-OE2 3.49Å; T391-E395 HydrophobicContact CG2-CB 4.36Å; T391-I396 HydrophobicContact CG2-CD1 4.39Å; T391-I396 HydrophobicContact CG2-CG1 3.93Å | ||
| 392 | S | 97.5 | Very high | 97.7 | Very high | 7 Ų | 7 | 13 Ų | 13 | 5% | 0.049 | 7% | 0.066 | C | C | . | . | trans | -90.1 | 161.8 | 177.1 | 82.1 | 0 | 0 | 0 | 0 | 112.8 | D16 E394 E395 I396 | D16-S392 WeakPolarHBondContact OD1-CA 3.44Å; D16-S392 VanDerWaalsContact OD1-CB 3.27Å; D16-S392 WeakPolarHBondContact OD1-CB 3.22Å; S392-E394 VanDerWaalsContact C-N 3.34Å; S392-E394 PolarHBondContact OG-N 2.8Å; S392-E395 PolarHBondContact N-OE2 3.25Å; S392-E395 PolarHBondContact O-N 3.42Å; S392-E395 WeakPolarHBondContact OG-CB 3.12Å; S392-E395 VanDerWaalsContact OG-CG 3.31Å; S392-E395 WeakPolarHBondContact OG-CG 3.37Å; S392-E395 PolarHBondContact OG-N 3.14Å; S392-I396 WeakPolarHBondContact O-CG1 3.3Å; S392-I396 PolarHBondContact O-N 2.95Å; S392-I396 VanDerWaalsContact O-N 3.09Å | ||
| 393 | Y | 98.3 | Very high | 97.8 | Very high | 10 Ų | 10 | 13 Ų | 13 | 4% | 0.039 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.8 | -35.9 | 172.7 | -71.6 | -92.7 | 0 | 0 | 0 | 111.4 | A12 L15 D16 D19 N320 K321 Y324 E395 I396 N397 | A12-Y393 WeakPolarHBondContact O-CB 3.28Å; L15-Y393 HydrophobicContact CB-CD1 3.83Å; L15-Y393 HydrophobicContact CB-CD2 3.89Å; L15-Y393 HydrophobicContact CB-CE1 4.31Å; L15-Y393 HydrophobicContact CB-CE2 4.38Å; L15-Y393 HydrophobicContact CB-CG 3.59Å; L15-Y393 HydrophobicContact CD1-CD1 3.54Å; L15-Y393 HydrophobicContact CD1-CE1 3.94Å; L15-Y393 HydrophobicContact CD1-CG 4.14Å; L15-Y393 HydrophobicContact CG-CD1 4.32Å; D16-Y393 WeakPolarHBondContact OD1-CD2 3.37Å; D16-Y393 PolarHBondContact OD1-N 2.93Å; D16-Y393 PolarHBondContact OD2-N 3.35Å; D19-Y393 HydrophobicContact CB-CD2 4.37Å; D19-Y393 HydrophobicContact CB-CE2 3.88Å; N320-Y393 VanDerWaalsContact CG-OH 3.31Å; N320-Y393 WeakPolarHBondContact OD1-CE1 3.36Å; N320-Y393 PolarHBondContact OD1-OH 2.96Å; K321-Y393 HydrophobicContact CD-CE2 4.48Å; K321-Y393 HydrophobicContact CG-CE1 3.97Å; K321-Y393 HydrophobicContact CG-CE2 3.9Å; Y324-Y393 AromaticContact CD1-CD1 3.54Å; Y324-Y393 HydrophobicContact CD1-CD1 3.54Å; Y324-Y393 HydrophobicContact CD1-CE1 4.32Å; Y324-Y393 HydrophobicContact CD1-CG 4.47Å; Y324-Y393 HydrophobicContact CE1-CD1 4.14Å; Y324-Y393 AromaticContact CG-CD1 3.94Å; Y324-Y393 HydrophobicContact CG-CD1 3.94Å; Y324-Y393 HydrophobicContact CG-CE1 4.33Å; Y393-E395 VanDerWaalsContact C-N 3.34Å; Y393-I396 PolarHBondContact O-N 3.19Å; Y393-N397 PolarHBondContact O-N 3.29Å |
| 394 | E | 98 | Very high | 97.8 | Very high | 61 Ų | 61 | 15.7 Ų | 15.7 | 29% | 0.285 | 8% | 0.077 | S | C | . | . | H | α-helix | trans | -54.8 | -48.6 | 169.2 | 165.8 | 163.3 | -148.1 | 0 | 0 | 111.5 | L9 K13 D16 S392 I396 N397 L398 | L9-E394 HydrophobicContact CD1-CB 4.45Å; L9-E394 HydrophobicContact CD1-CG 3.86Å; K13-E394 WeakPolarHBondContact CE-OE1 3.37Å; K13-E394 VanDerWaalsContact CE-OE2 3.24Å; K13-E394 WeakPolarHBondContact CE-OE2 3.18Å; K13-E394 HydrophobicContact CG-CB 4.4Å; K13-E394 IonicContact NZ-OE1 2.88Å; K13-E394 PolarHBondContact NZ-OE1 2.86Å; K13-E394 IonicContact NZ-OE2 2.99Å; D16-E394 WeakPolarHBondContact OD2-CB 2.99Å; D16-E394 PolarHBondContact OD2-N 3.28Å; S392-E394 VanDerWaalsContact C-N 3.34Å; S392-E394 PolarHBondContact OG-N 2.8Å; E394-I396 PolarHBondContact O-N 3.17Å; E394-N397 WeakPolarHBondContact O-CB 3.42Å; E394-N397 PolarHBondContact O-N 3.48Å; E394-N397 VanDerWaalsContact O-N 3.17Å; E394-L398 HydrophobicContact CG-CD1 4.04Å; E394-L398 WeakPolarHBondContact O-CG 3.42Å; E394-L398 PolarHBondContact O-N 3.49Å |
| 395 | E | 97.8 | Very high | 97.8 | Very high | 13 Ų | 13 | 20 Ų | 20 | 6% | 0.061 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.5 | -43.3 | 177.7 | -77.9 | 175.5 | 145.9 | 0 | 0 | 111.8 | R25 I35 T391 S392 Y393 N397 L398 V399 | R25-E395 IonicContact CZ-OE1 3.9Å; R25-E395 IonicContact CZ-OE2 3.53Å; R25-E395 VanDerWaalsContact NH1-CD 3.32Å; R25-E395 IonicContact NH1-OE1 2.74Å; R25-E395 PolarHBondContact NH1-OE1 3.43Å; R25-E395 IonicContact NH1-OE2 2.98Å; R25-E395 PolarHBondContact NH1-OE2 3.29Å; R25-E395 VanDerWaalsContact NH1-OE2 3.09Å; R25-E395 IonicContact NH2-OE1 3.14Å; R25-E395 PolarHBondContact NH2-OE1 3.18Å; I35-E395 HydrophobicContact CD1-CG 4.48Å; I35-E395 HydrophobicContact CG1-CG 4.18Å; I35-E395 HydrophobicContact CG2-CB 3.7Å; I35-E395 HydrophobicContact CG2-CG 3.94Å; T391-E395 WeakPolarHBondContact CA-OE2 3.49Å; T391-E395 HydrophobicContact CG2-CB 4.36Å; S392-E395 PolarHBondContact N-OE2 3.25Å; S392-E395 PolarHBondContact O-N 3.42Å; S392-E395 WeakPolarHBondContact OG-CB 3.12Å; S392-E395 VanDerWaalsContact OG-CG 3.31Å; S392-E395 WeakPolarHBondContact OG-CG 3.37Å; S392-E395 PolarHBondContact OG-N 3.14Å; Y393-E395 VanDerWaalsContact C-N 3.34Å; E395-N397 VanDerWaalsContact C-N 3.29Å; E395-N397 PolarHBondContact O-N 2.71Å; E395-L398 PolarHBondContact O-N 3.38Å; E395-V399 VanDerWaalsContact O-CG2 3.3Å; E395-V399 WeakPolarHBondContact O-CG2 3.41Å; E395-V399 PolarHBondContact O-N 2.89Å |
| 396 | I | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.9 | -43.1 | 174.8 | -68.4 | 165.5 | 0 | 0 | 0 | 111 | K321 Y324 L325 L328 P386 T391 S392 Y393 E394 V399 V400 | K321-I396 HydrophobicContact CB-CD1 3.72Å; K321-I396 HydrophobicContact CD-CD1 4.43Å; K321-I396 HydrophobicContact CG-CD1 4Å; Y324-I396 HydrophobicContact CD1-CB 4.2Å; Y324-I396 HydrophobicContact CD1-CG2 3.66Å; Y324-I396 HydrophobicContact CE1-CB 4.45Å; Y324-I396 HydrophobicContact CE1-CG2 4.1Å; L325-I396 HydrophobicContact CB-CG2 3.69Å; L325-I396 HydrophobicContact CD1-CG2 4.02Å; L325-I396 HydrophobicContact CG-CG2 4.43Å; L328-I396 HydrophobicContact CD1-CG2 4.23Å; P386-I396 HydrophobicContact CB-CD1 3.9Å; P386-I396 HydrophobicContact CB-CG1 4.22Å; P386-I396 HydrophobicContact CG-CD1 4.36Å; P386-I396 HydrophobicContact CG-CG1 4.43Å; T391-I396 HydrophobicContact CG2-CD1 4.39Å; T391-I396 HydrophobicContact CG2-CG1 3.93Å; S392-I396 WeakPolarHBondContact O-CG1 3.3Å; S392-I396 PolarHBondContact O-N 2.95Å; S392-I396 VanDerWaalsContact O-N 3.09Å; Y393-I396 PolarHBondContact O-N 3.19Å; E394-I396 PolarHBondContact O-N 3.17Å; I396-V399 PolarHBondContact O-N 3.04Å; I396-V400 PolarHBondContact O-N 2.97Å |
| 397 | N | 98.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.4 | -47.8 | 176.5 | -172.8 | -94.4 | 0 | 0 | 0 | 111.7 | A12 L328 Y393 E394 E395 V399 V400 Q401 | A12-N397 HydrophobicContact CB-CB 3.75Å; L328-N397 HydrophobicContact CD1-CB 4.13Å; Y393-N397 PolarHBondContact O-N 3.29Å; E394-N397 WeakPolarHBondContact O-CB 3.42Å; E394-N397 PolarHBondContact O-N 3.48Å; E394-N397 VanDerWaalsContact O-N 3.17Å; E395-N397 VanDerWaalsContact C-N 3.29Å; E395-N397 PolarHBondContact O-N 2.71Å; N397-V399 PolarHBondContact O-N 3.14Å; N397-V400 PolarHBondContact O-N 3.07Å; N397-Q401 WeakPolarHBondContact O-CG 3.4Å; N397-Q401 PolarHBondContact O-N 3.36Å |
| 398 | L | 98.1 | Very high | 97.6 | Very high | 64 Ų | 64 | 22.7 Ų | 22.7 | 34% | 0.335 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -61.7 | -40.5 | 179 | -68.5 | 173.2 | 0 | 0 | 0 | 112.2 | L9 I35 E394 E395 V400 Q401 T402 | L9-L398 HydrophobicContact CD1-CD2 4.41Å; L9-L398 HydrophobicContact CD1-CG 4.49Å; I35-L398 HydrophobicContact CD1-CB 3.73Å; I35-L398 HydrophobicContact CD1-CD1 4.11Å; E394-L398 HydrophobicContact CG-CD1 4.04Å; E394-L398 WeakPolarHBondContact O-CG 3.42Å; E394-L398 PolarHBondContact O-N 3.49Å; E395-L398 PolarHBondContact O-N 3.38Å; L398-V400 VanDerWaalsContact C-N 3.33Å; L398-V400 PolarHBondContact O-N 2.94Å; L398-Q401 PolarHBondContact O-N 3.29Å; L398-T402 WeakPolarHBondContact O-CB 3.24Å; L398-T402 PolarHBondContact O-N 2.95Å; L398-T402 PolarHBondContact O-OG1 3.34Å |
| 399 | V | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.6 | -46.3 | 175.5 | 169 | 0 | 0 | 0 | 0 | 111.1 | I35 M37 V372 L384 E395 I396 N397 T402 L403 | I35-V399 HydrophobicContact CB-CG2 4.43Å; I35-V399 HydrophobicContact CD1-CG2 4.45Å; I35-V399 HydrophobicContact CG2-CG2 3.63Å; M37-V399 HydrophobicContact CE-CG2 4.48Å; M37-V399 HydrophobicContact CG-CG2 3.95Å; M37-V399 HydrophobicContact SD-CG2 4.24Å; V372-V399 HydrophobicContact CG1-CG1 4.4Å; V372-V399 HydrophobicContact CG1-CG2 3.87Å; V372-V399 HydrophobicContact CG2-CG2 4.16Å; L384-V399 HydrophobicContact CD1-CG1 4.22Å; L384-V399 HydrophobicContact CD2-CG1 4.29Å; E395-V399 VanDerWaalsContact O-CG2 3.3Å; E395-V399 WeakPolarHBondContact O-CG2 3.41Å; E395-V399 PolarHBondContact O-N 2.89Å; I396-V399 PolarHBondContact O-N 3.04Å; N397-V399 PolarHBondContact O-N 3.14Å; V399-T402 PolarHBondContact O-N 3.26Å; V399-L403 HydrophobicContact CG1-CD1 4.11Å; V399-L403 WeakPolarHBondContact O-CG 3.35Å; V399-L403 PolarHBondContact O-N 2.9Å |
| 400 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.4 | -39.8 | 178.8 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | L325 L328 I329 E332 L333 I396 N397 L398 T402 L403 K404 | L325-V400 HydrophobicContact CD1-CG2 3.6Å; L328-V400 HydrophobicContact CB-CB 4.16Å; L328-V400 HydrophobicContact CB-CG1 4.01Å; L328-V400 HydrophobicContact CB-CG2 3.79Å; L328-V400 HydrophobicContact CD1-CB 4.4Å; L328-V400 HydrophobicContact CD1-CG2 4.23Å; I329-V400 HydrophobicContact CG1-CG2 4.21Å; E332-V400 HydrophobicContact CB-CG1 3.82Å; E332-V400 HydrophobicContact CG-CG1 4.29Å; L333-V400 HydrophobicContact CD1-CG1 4.14Å; L333-V400 HydrophobicContact CD2-CG1 4.28Å; L333-V400 HydrophobicContact CG-CG1 3.96Å; I396-V400 PolarHBondContact O-N 2.97Å; N397-V400 PolarHBondContact O-N 3.07Å; L398-V400 VanDerWaalsContact C-N 3.33Å; L398-V400 PolarHBondContact O-N 2.94Å; V400-T402 VanDerWaalsContact C-N 3.33Å; V400-T402 PolarHBondContact O-N 3.31Å; V400-L403 PolarHBondContact O-N 3.25Å; V400-K404 WeakPolarHBondContact O-CB 3.47Å; V400-K404 PolarHBondContact O-N 3.1Å |
| 401 | Q | 98 | Very high | 97.1 | Very high | 69 Ų | 69 | 34 Ų | 34 | 32% | 0.322 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65 | -37.6 | 175 | -63.2 | -53.6 | -52.1 | 0 | 0 | 112.1 | N397 L398 K404 K405 | N397-Q401 WeakPolarHBondContact O-CG 3.4Å; N397-Q401 PolarHBondContact O-N 3.36Å; L398-Q401 PolarHBondContact O-N 3.29Å; Q401-K404 WeakPolarHBondContact O-CB 3.47Å; Q401-K404 PolarHBondContact O-N 2.99Å; Q401-K405 WeakPolarHBondContact O-CB 3.48Å; Q401-K405 PolarHBondContact O-N 2.88Å |
| 402 | T | 97.9 | Very high | 96.3 | Very high | 26 Ų | 26 | 34.9 Ų | 34.9 | 16% | 0.16 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.6 | -43.6 | 175.6 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | L367 N370 V372 L398 V399 V400 K404 K405 I406 | L367-T402 HydrophobicContact CD2-CG2 3.85Å; N370-T402 HydrophobicContact CB-CG2 3.69Å; V372-T402 HydrophobicContact CG2-CG2 4.41Å; L398-T402 WeakPolarHBondContact O-CB 3.24Å; L398-T402 PolarHBondContact O-N 2.95Å; L398-T402 PolarHBondContact O-OG1 3.34Å; V399-T402 PolarHBondContact O-N 3.26Å; V400-T402 VanDerWaalsContact C-N 3.33Å; V400-T402 PolarHBondContact O-N 3.31Å; T402-K404 VanDerWaalsContact C-N 3.32Å; T402-K404 PolarHBondContact O-N 3.45Å; T402-K405 PolarHBondContact O-N 2.88Å; T402-I406 HydrophobicContact CG2-CD1 3.83Å; T402-I406 HydrophobicContact CG2-CG1 4.4Å; T402-I406 WeakPolarHBondContact O-CB 3.43Å; T402-I406 VanDerWaalsContact O-CG1 3.25Å; T402-I406 WeakPolarHBondContact O-CG1 3.49Å; T402-I406 PolarHBondContact O-N 3Å |
| 403 | L | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.9 | -46.9 | 171.9 | -79 | 166.5 | 0 | 0 | 0 | 111.6 | L333 Y338 L355 I363 L367 I382 L384 V399 V400 I406 V407 | L333-L403 HydrophobicContact CD1-CB 3.84Å; L333-L403 HydrophobicContact CD1-CD1 3.92Å; L333-L403 HydrophobicContact CD2-CB 4.3Å; Y338-L403 HydrophobicContact CE1-CD2 4.31Å; Y338-L403 WeakPolarHBondContact OH-CD2 3.49Å; Y338-L403 PolarHBondContact OH-O 2.93Å; L355-L403 HydrophobicContact CD2-CD1 3.93Å; L355-L403 HydrophobicContact CD2-CD2 4.41Å; I363-L403 HydrophobicContact CG2-CD2 3.82Å; L367-L403 HydrophobicContact CD1-CD2 3.74Å; L367-L403 HydrophobicContact CD1-CG 4.45Å; L367-L403 HydrophobicContact CD2-CD2 4.08Å; L367-L403 HydrophobicContact CD2-CG 4.1Å; L367-L403 HydrophobicContact CG-CD2 4.21Å; I382-L403 HydrophobicContact CD1-CD2 4.48Å; L384-L403 HydrophobicContact CD1-CD1 3.94Å; V399-L403 HydrophobicContact CG1-CD1 4.11Å; V399-L403 WeakPolarHBondContact O-CG 3.35Å; V399-L403 PolarHBondContact O-N 2.9Å; V400-L403 PolarHBondContact O-N 3.25Å; L403-I406 PolarHBondContact O-N 3.07Å; L403-V407 PolarHBondContact O-N 3.19Å |
| 404 | K | 98 | Very high | 94.4 | Very high | 57 Ų | 57 | 45.7 Ų | 45.7 | 25% | 0.248 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59 | -49.7 | 177.1 | -169.4 | 178.6 | -171.5 | 173.6 | 0 | 110.8 | E332 L333 Y336 V400 Q401 T402 V407 A408 | E332-K404 HydrophobicContact CB-CD 4.46Å; E332-K404 IonicContact OE2-NZ 2.98Å; E332-K404 PolarHBondContact OE2-NZ 2.93Å; L333-K404 HydrophobicContact CD2-CB 3.52Å; L333-K404 HydrophobicContact CD2-CG 4.09Å; Y336-K404 HydrophobicContact CE2-CG 3.88Å; V400-K404 WeakPolarHBondContact O-CB 3.47Å; V400-K404 PolarHBondContact O-N 3.1Å; Q401-K404 WeakPolarHBondContact O-CB 3.47Å; Q401-K404 PolarHBondContact O-N 2.99Å; T402-K404 VanDerWaalsContact C-N 3.32Å; T402-K404 PolarHBondContact O-N 3.45Å; K404-V407 PolarHBondContact O-N 2.71Å; K404-A408 WeakPolarHBondContact O-CB 3.4Å; K404-A408 PolarHBondContact O-N 2.87Å |
| 405 | K | 97.5 | Very high | 92.6 | Very high | 91 Ų | 91 | 43.6 Ų | 43.6 | 40% | 0.396 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.4 | -49.2 | 178.8 | -172.3 | -169.7 | 176.1 | -169.7 | 0 | 111.5 | Q401 T402 V407 A408 E409 I411 | Q401-K405 WeakPolarHBondContact O-CB 3.48Å; Q401-K405 PolarHBondContact O-N 2.88Å; T402-K405 PolarHBondContact O-N 2.88Å; K405-V407 VanDerWaalsContact C-N 3.3Å; K405-V407 PolarHBondContact O-N 2.84Å; K405-A408 PolarHBondContact O-N 3.13Å; K405-E409 WeakPolarHBondContact CE-OE2 3.45Å; K405-E409 HydrophobicContact CG-CG 4.28Å; K405-E409 WeakPolarHBondContact CG-OE1 3.46Å; K405-E409 VanDerWaalsContact O-CB 3.3Å; K405-E409 WeakPolarHBondContact O-CB 3.46Å; K405-E409 PolarHBondContact O-N 3.05Å; K405-I411 HydrophobicContact CD-CD1 4.18Å; K405-I411 HydrophobicContact CG-CD1 4.05Å |
| 406 | I | 96.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.3 | -45.5 | -178.2 | -73.5 | 164.3 | 0 | 0 | 0 | 111.1 | I363 A366 L367 T402 L403 K410 I411 Y412 | I363-I406 HydrophobicContact CB-CG2 4.37Å; I363-I406 HydrophobicContact CG1-CG2 4.12Å; I363-I406 HydrophobicContact CG2-CG2 4.17Å; A366-I406 HydrophobicContact CB-CB 4.47Å; A366-I406 HydrophobicContact CB-CD1 3.73Å; A366-I406 HydrophobicContact CB-CG1 3.9Å; A366-I406 HydrophobicContact CB-CG2 3.7Å; L367-I406 HydrophobicContact CB-CD1 4.36Å; L367-I406 HydrophobicContact CD2-CD1 3.71Å; L367-I406 HydrophobicContact CG-CD1 3.78Å; T402-I406 HydrophobicContact CG2-CD1 3.83Å; T402-I406 HydrophobicContact CG2-CG1 4.4Å; T402-I406 WeakPolarHBondContact O-CB 3.43Å; T402-I406 VanDerWaalsContact O-CG1 3.25Å; T402-I406 WeakPolarHBondContact O-CG1 3.49Å; T402-I406 PolarHBondContact O-N 3Å; L403-I406 PolarHBondContact O-N 3.07Å; I406-K410 CarbonylContact O-C 3.54Å; I406-K410 WeakPolarHBondContact O-CA 3.35Å; I406-K410 PolarHBondContact O-N 3.35Å; I406-K410 VanDerWaalsContact O-N 3.12Å; I406-I411 HydrophobicContact CG1-CB 4.48Å; I406-I411 HydrophobicContact CG1-CD1 4.43Å; I406-I411 HydrophobicContact CG2-CB 4.47Å; I406-I411 PolarHBondContact O-N 2.76Å; I406-Y412 HydrophobicContact CG2-CD1 4.21Å; I406-Y412 WeakPolarHBondContact O-CD1 3.22Å |
| 407 | V | 95.9 | Very high | 88.2 | Confident | 14 Ų | 14 | 45.2 Ų | 45.2 | 9% | 0.085 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -80.3 | -42.3 | -178.1 | -177.6 | 0 | 0 | 0 | 0 | 112 | Y336 Y338 I363 L403 K404 K405 E409 K410 Y412 | Y336-V407 HydrophobicContact CD1-CB 4.26Å; Y336-V407 HydrophobicContact CD1-CG1 3.88Å; Y336-V407 HydrophobicContact CG-CG1 4.34Å; Y338-V407 HydrophobicContact CE2-CB 4.39Å; Y338-V407 HydrophobicContact CE2-CG2 3.79Å; Y338-V407 WeakPolarHBondContact OH-CG2 3.44Å; I363-V407 HydrophobicContact CD1-CG2 3.62Å; I363-V407 HydrophobicContact CG1-CG2 4.06Å; L403-V407 PolarHBondContact O-N 3.19Å; K404-V407 PolarHBondContact O-N 2.71Å; K405-V407 VanDerWaalsContact C-N 3.3Å; K405-V407 PolarHBondContact O-N 2.84Å; V407-E409 PolarHBondContact O-N 3.22Å; V407-K410 PolarHBondContact O-N 3.36Å; V407-Y412 HydrophobicContact CB-CE1 4.47Å; V407-Y412 HydrophobicContact CG1-CE1 4.28Å; V407-Y412 HydrophobicContact CG2-CD1 4.45Å |
| 408 | A | 96.5 | Very high | 85.5 | Confident | 52 Ų | 52 | 45.4 Ų | 45.4 | 43% | 0.43 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.8 | -40.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y336 K404 K405 | Y336-A408 HydrophobicContact CD1-CB 4.46Å; Y336-A408 HydrophobicContact CE1-CB 3.55Å; K404-A408 WeakPolarHBondContact O-CB 3.4Å; K404-A408 PolarHBondContact O-N 2.87Å; K405-A408 PolarHBondContact O-N 3.13Å |
| 409 | E | 96.6 | Very high | 83.9 | Confident | 123 Ų | 123 | 42.3 Ų | 42.3 | 58% | 0.575 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 1.8 | 178.3 | -62.2 | 177.1 | -167.1 | 0 | 0 | 112.4 | K405 V407 I411 | K405-E409 WeakPolarHBondContact CE-OE2 3.45Å; K405-E409 HydrophobicContact CG-CG 4.28Å; K405-E409 WeakPolarHBondContact CG-OE1 3.46Å; K405-E409 VanDerWaalsContact O-CB 3.3Å; K405-E409 WeakPolarHBondContact O-CB 3.46Å; K405-E409 PolarHBondContact O-N 3.05Å; V407-E409 PolarHBondContact O-N 3.22Å; E409-I411 HydrophobicContact CB-CD1 4.31Å; E409-I411 HydrophobicContact CB-CG1 3.91Å; E409-I411 PolarHBondContact O-N 3.21Å |
| 410 | K | 92.4 | Very high | 82.6 | Confident | 102 Ų | 102 | 42.3 Ų | 42.3 | 44% | 0.443 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 31.2 | -178.5 | -63.3 | 169 | 146.7 | -121.1 | 0 | 114.2 | I406 V407 Y412 E413 | I406-K410 CarbonylContact O-C 3.54Å; I406-K410 WeakPolarHBondContact O-CA 3.35Å; I406-K410 PolarHBondContact O-N 3.35Å; I406-K410 VanDerWaalsContact O-N 3.12Å; V407-K410 PolarHBondContact O-N 3.36Å; K410-Y412 HydrophobicContact CB-CE1 4.15Å; K410-Y412 HydrophobicContact CG-CE1 4.16Å; K410-Y412 PolarHBondContact O-N 2.73Å; K410-E413 HydrophobicContact CB-CG 4.09Å; K410-E413 WeakPolarHBondContact CD-OE1 3.24Å; K410-E413 IonicContact NZ-OE1 3.65Å; K410-E413 PolarHBondContact NZ-OE1 3.38Å; K410-E413 VanDerWaalsContact O-CB 3.24Å; K410-E413 WeakPolarHBondContact O-CB 3.39Å; K410-E413 PolarHBondContact O-N 3.47Å |
| 411 | I | 89.2 | Confident | 81.3 | Confident | 19 Ų | 19 | 42.5 Ų | 42.5 | 10% | 0.097 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -55.9 | -29.9 | 178.7 | -58.4 | 176.5 | 0 | 0 | 0 | 111 | A366 K405 I406 E409 E413 E414 Y415 | A366-I411 HydrophobicContact CB-CG2 4.27Å; K405-I411 HydrophobicContact CD-CD1 4.18Å; K405-I411 HydrophobicContact CG-CD1 4.05Å; I406-I411 HydrophobicContact CG1-CB 4.48Å; I406-I411 HydrophobicContact CG1-CD1 4.43Å; I406-I411 HydrophobicContact CG2-CB 4.47Å; I406-I411 PolarHBondContact O-N 2.76Å; E409-I411 HydrophobicContact CB-CD1 4.31Å; E409-I411 HydrophobicContact CB-CG1 3.91Å; E409-I411 PolarHBondContact O-N 3.21Å; I411-E413 PolarHBondContact O-N 3.39Å; I411-E413 VanDerWaalsContact O-N 3.14Å; I411-E414 WeakPolarHBondContact O-CB 3.44Å; I411-E414 WeakPolarHBondContact O-CG 3.1Å; I411-E414 PolarHBondContact O-N 3.31Å; I411-Y415 HydrophobicContact CG2-CE2 4.43Å; I411-Y415 WeakPolarHBondContact O-CD2 3.48Å; I411-Y415 WeakPolarHBondContact O-CE2 3.22Å |
| 412 | Y | 82.8 | Confident | 80.7 | Confident | 20 Ų | 20 | 43.4 Ų | 43.4 | 8% | 0.078 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -60.2 | -20.7 | 175.7 | 67.7 | -91.7 | 0 | 0 | 0 | 112.6 | E359 R362 I363 I406 V407 K410 E414 Y415 | E359-Y412 HydrophobicContact CB-CD2 3.72Å; E359-Y412 HydrophobicContact CB-CE2 3.96Å; E359-Y412 HydrophobicContact CB-CG 4.35Å; E359-Y412 HydrophobicContact CG-CD2 3.64Å; E359-Y412 HydrophobicContact CG-CE2 3.36Å; R362-Y412 HydrophobicContact CB-CD2 4.43Å; R362-Y412 VanDerWaalsContact CZ-CD2 3.5Å; R362-Y412 PolarHBondContact NE-O 3.06Å; R362-Y412 VanDerWaalsContact NH2-C 3.3Å; R362-Y412 VanDerWaalsContact NH2-CE2 3.29Å; R362-Y412 PolarHBondContact NH2-O 2.93Å; R362-Y412 VanDerWaalsContact NH2-O 3.13Å; I363-Y412 HydrophobicContact CG1-CD1 4.34Å; I363-Y412 HydrophobicContact CG1-CG 4.2Å; I406-Y412 HydrophobicContact CG2-CD1 4.21Å; I406-Y412 WeakPolarHBondContact O-CD1 3.22Å; V407-Y412 HydrophobicContact CB-CE1 4.47Å; V407-Y412 HydrophobicContact CG1-CE1 4.28Å; V407-Y412 HydrophobicContact CG2-CD1 4.45Å; K410-Y412 HydrophobicContact CB-CE1 4.15Å; K410-Y412 HydrophobicContact CG-CE1 4.16Å; K410-Y412 PolarHBondContact O-N 2.73Å; Y412-E414 VanDerWaalsContact C-N 3.25Å; Y412-E414 PolarHBondContact O-N 2.73Å; Y412-Y415 WeakPolarHBondContact O-CD2 3.28Å; Y412-Y415 PolarHBondContact O-N 3.49Å |
| 413 | E | 82.4 | Confident | 80.4 | Confident | 105 Ų | 105 | 42.9 Ų | 42.9 | 49% | 0.491 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -64.4 | -17.7 | 170.7 | -64.8 | 176.8 | 178.6 | 0 | 0 | 114.8 | R362 K410 I411 Y415 | R362-E413 VanDerWaalsContact NH2-N 3.15Å; K410-E413 HydrophobicContact CB-CG 4.09Å; K410-E413 WeakPolarHBondContact CD-OE1 3.24Å; K410-E413 IonicContact NZ-OE1 3.65Å; K410-E413 PolarHBondContact NZ-OE1 3.38Å; K410-E413 VanDerWaalsContact O-CB 3.24Å; K410-E413 WeakPolarHBondContact O-CB 3.39Å; K410-E413 PolarHBondContact O-N 3.47Å; I411-E413 PolarHBondContact O-N 3.39Å; I411-E413 VanDerWaalsContact O-N 3.14Å; E413-Y415 PolarHBondContact O-N 3.36Å |
| 414 | E | 73.1 | Confident | 80 | Confident | 140 Ų | 140 | 46.1 Ų | 46.1 | 65% | 0.654 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -73 | -4.2 | 172 | -59.3 | 177.7 | 176.6 | 0 | 0 | 113.4 | I411 Y412 | I411-E414 WeakPolarHBondContact O-CB 3.44Å; I411-E414 WeakPolarHBondContact O-CG 3.1Å; I411-E414 PolarHBondContact O-N 3.31Å; Y412-E414 VanDerWaalsContact C-N 3.25Å; Y412-E414 PolarHBondContact O-N 2.73Å |
| 415 | Y | 60 | Low | 79.5 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -115.2 | 95.8 | -176.8 | -53.6 | -101.2 | 0 | 0 | 0 | 108.9 | R362 A365 A366 N369 I411 Y412 E413 | R362-Y415 WeakPolarHBondContact CD-O 3.43Å; R362-Y415 WeakPolarHBondContact CG-O 3.33Å; R362-Y415 PolarHBondContact NE-O 3.3Å; R362-Y415 VanDerWaalsContact NE-O 3.07Å; A365-Y415 HydrophobicContact CB-CD1 3.5Å; A365-Y415 VanDerWaalsContact CB-CD1 3.5Å; A365-Y415 HydrophobicContact CB-CE1 3.8Å; A365-Y415 HydrophobicContact CB-CG 4.14Å; A366-Y415 WeakPolarHBondContact CA-OH 3.45Å; A366-Y415 HydrophobicContact CB-CD2 4.3Å; A366-Y415 HydrophobicContact CB-CE2 3.61Å; N369-Y415 VanDerWaalsContact CB-OH 3.28Å; N369-Y415 WeakPolarHBondContact CB-OH 3.41Å; N369-Y415 WeakPolarHBondContact ND2-CE1 3.47Å; N369-Y415 PolarHBondContact ND2-OH 3.46Å; I411-Y415 HydrophobicContact CG2-CE2 4.43Å; I411-Y415 WeakPolarHBondContact O-CD2 3.48Å; I411-Y415 WeakPolarHBondContact O-CE2 3.22Å; Y412-Y415 WeakPolarHBondContact O-CD2 3.28Å; Y412-Y415 PolarHBondContact O-N 3.49Å; E413-Y415 PolarHBondContact O-N 3.36Å |
| 416 | S | 51.5 | Low | 78.7 | Confident | 28 Ų | 28 | 44.6 Ų | 44.6 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | trans | -83.2 | -178.1 | -179.6 | -162.8 | 0 | 0 | 0 | 0 | 114 | K447 | S416-K447 VanDerWaalsContact CB-N 3.29Š| ||
| 417 | N | 51.3 | Low | 78.1 | Confident | 20 Ų | 20 | 47.4 Ų | 47.4 | 11% | 0.107 | 24% | 0.237 | C | C | . | . | trans | -130.2 | 15.7 | -148.2 | -65.7 | -38 | 0 | 0 | 0 | 113.4 | A482 E483 M484 | N417-A482 CarbonylContact O-C 3.15Å; N417-A482 VanDerWaalsContact O-C 3.23Å; N417-A482 VanDerWaalsContact O-CA 3.29Å; N417-A482 WeakPolarHBondContact O-CA 3.13Å; N417-A482 WeakPolarHBondContact O-CB 3.47Å; N417-E483 HydrophobicContact CB-CB 3.52Å; N417-E483 HydrophobicContact CB-CG 3.39Å; N417-E483 WeakPolarHBondContact CB-OE2 3.16Å; N417-E483 PolarHBondContact ND2-OE1 3.5Å; N417-E483 PolarHBondContact ND2-OE2 3.43Å; N417-E483 PolarHBondContact O-N 3.07Å; N417-M484 PolarHBondContact O-N 3.03Å | ||
| 418 | T | 42.4 | Very low | 77.9 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.043 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 129 | 172.9 | -60.8 | 0 | 0 | 0 | 0 | 110.9 | L441 V448 L449 M484 L486 | T418-L441 HydrophobicContact CG2-CD1 4.28Å; T418-V448 WeakPolarHBondContact O-CA 3.27Å; T418-L449 PolarHBondContact O-N 3.29Å; T418-M484 WeakPolarHBondContact CA-O 2.86Å; T418-M484 HydrophobicContact CG2-CE 3.62Å; T418-L486 HydrophobicContact CG2-CD1 4.35Å |
| 419 | R | 64.4 | Low | 77.6 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 154.2 | -178.1 | -56.1 | -172.5 | -150.9 | -133 | 2.1 | 115.4 | Y361 L449 S478 A479 A481 A482 M484 L486 | Y361-R419 PolarHBondContact OH-NH1 3.15Å; Y361-R419 PolarHBondContact OH-NH2 2.82Å; R419-L449 CarbonylContact C-O 3.45Å; R419-L449 WeakPolarHBondContact CA-O 3.41Å; R419-L449 HydrophobicContact CB-CB 4.33Å; R419-L449 HydrophobicContact CG-CB 3.62Å; R419-L449 HydrophobicContact CG-CD1 3.63Å; R419-L449 HydrophobicContact CG-CG 3.76Å; R419-L449 VanDerWaalsContact NE-CD1 3.34Å; R419-S478 WeakPolarHBondContact CD-O 3.42Å; R419-S478 PolarHBondContact NE-O 2.92Å; R419-S478 PolarHBondContact NH1-O 2.82Å; R419-A479 WeakPolarHBondContact CB-O 3.4Å; R419-A479 VanDerWaalsContact CD-C 3.44Å; R419-A479 VanDerWaalsContact CD-O 3.29Å; R419-A479 WeakPolarHBondContact CD-O 3.36Å; R419-A481 PolarHBondContact NE-O 3.04Å; R419-A481 PolarHBondContact NH2-O 3.02Å; R419-A482 HydrophobicContact CB-CB 3.42Å; R419-A482 VanDerWaalsContact CB-CB 3.42Å; R419-A482 HydrophobicContact CG-CB 3.18Å; R419-M484 PolarHBondContact N-O 2.69Å; R419-L486 PolarHBondContact O-N 2.75Å |
| 420 | I | 72 | Confident | 77.7 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 93.9 | -176 | -59.6 | 148.2 | 0 | 0 | 0 | 108.2 | V431 L433 V438 V448 L449 V450 E451 | I420-V431 HydrophobicContact CG2-CG2 3.55Å; I420-L433 HydrophobicContact CD1-CB 3.56Å; I420-L433 HydrophobicContact CD1-CD2 3.8Å; I420-L433 HydrophobicContact CD1-CG 4.29Å; I420-L433 HydrophobicContact CG1-CB 4.03Å; I420-V438 HydrophobicContact CD1-CG2 4.36Å; I420-V448 HydrophobicContact CD1-CG1 3.51Å; I420-L449 PolarHBondContact N-O 3.38Å; I420-V450 HydrophobicContact CB-CG2 4.33Å; I420-V450 HydrophobicContact CD1-CG2 3.69Å; I420-E451 PolarHBondContact O-N 2.84Å |
| 421 | P | 70.3 | Confident | 77.9 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.019 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 157 | 172.2 | 30.7 | -35.7 | 0 | 0 | 0 | 111.1 | A479 V485 L486 K487 | P421-A479 HydrophobicContact CB-CB 3.94Å; P421-V485 HydrophobicContact CG-CG1 3.81Å; P421-L486 WeakPolarHBondContact CD-O 3.37Å; P421-K487 HydrophobicContact CG-CD 3.88Å; P421-K487 HydrophobicContact CG-CG 3.52Å |
| 422 | K | 86.1 | Confident | 78.2 | Confident | 89 Ų | 89 | 36.8 Ų | 36.8 | 39% | 0.387 | 18% | 0.181 | S | C | . | . | P | Polyproline II helix | trans | -70.6 | 138.1 | 172.4 | -178.4 | 177.3 | 176.4 | -172.1 | 0 | 109.8 | E451 A454 | K422-E451 HydrophobicContact CB-CB 4.3Å; K422-E451 VanDerWaalsContact CB-CD 3.44Å; K422-E451 HydrophobicContact CB-CG 4.19Å; K422-E451 WeakPolarHBondContact CB-OE2 3.46Å; K422-E451 PolarHBondContact N-OE2 2.95Å; K422-A454 HydrophobicContact CB-CB 4.2Å |
| 423 | E | 91.7 | Very high | 78.8 | Confident | 15 Ų | 15 | 35.9 Ų | 35.9 | 7% | 0.07 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 131.9 | 172.6 | -72.8 | -60.9 | 154.8 | 0 | 0 | 111.2 | E428 K487 V488 K489 | E423-E428 HydrophobicContact CB-CB 4.03Å; E423-E428 HydrophobicContact CB-CG 3.61Å; E423-E428 HydrophobicContact CG-CG 3.78Å; E423-K487 WeakPolarHBondContact OE1-CB 3.43Å; E423-K487 IonicContact OE1-NZ 3.37Å; E423-K487 PolarHBondContact OE1-NZ 3.07Å; E423-K487 IonicContact OE2-NZ 2.62Å; E423-K487 PolarHBondContact OE2-NZ 3.19Å; E423-V488 HydrophobicContact CG-CB 4.05Å; E423-V488 HydrophobicContact CG-CG2 4.17Å; E423-V488 WeakPolarHBondContact OE1-CA 3.47Å; E423-V488 PolarHBondContact OE1-N 3.34Å; E423-K489 PolarHBondContact OE1-N 3.06Å |
| 424 | I | 90.1 | Very high | 79.5 | Confident | 67 Ų | 67 | 30.9 Ų | 30.9 | 34% | 0.344 | 15% | 0.154 | S | C | . | . | trans | -108.8 | -10.6 | -176.6 | 64.6 | 162.4 | 0 | 0 | 0 | 113.3 | L492 E495 | I424-L492 HydrophobicContact CD1-CB 4.08Å; I424-L492 HydrophobicContact CD1-CD1 3.83Å; I424-L492 HydrophobicContact CD1-CG 4.15Å; I424-L492 HydrophobicContact CG1-CD1 3.8Å; I424-L492 HydrophobicContact CG1-CG 4.22Å; I424-E495 VanDerWaalsContact CD1-CD 3.48Å; I424-E495 HydrophobicContact CD1-CG 3.56Å; I424-E495 HydrophobicContact CG1-CG 4.33Å | ||
| 425 | K | 85.6 | Confident | 80.6 | Confident | 45 Ų | 45 | 25.2 Ų | 25.2 | 20% | 0.196 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -64.9 | 142.6 | 178.2 | -167.9 | 170.5 | -172.5 | 171.6 | 0 | 109.7 | N427 E428 K489 E490 L492 | K425-N427 PolarHBondContact O-N 2.58Å; K425-N427 VanDerWaalsContact O-N 3.15Å; K425-E428 HydrophobicContact CB-CB 3.96Å; K425-E428 WeakPolarHBondContact O-CB 3.46Å; K425-E428 PolarHBondContact O-N 3.27Å; K425-K489 HydrophobicContact CD-CB 4.31Å; K425-K489 HydrophobicContact CD-CG 4.25Å; K425-E490 IonicContact NZ-OE1 3.99Å; K425-E490 PolarHBondContact NZ-OE1 2.81Å; K425-E490 IonicContact NZ-OE2 3.66Å; K425-L492 HydrophobicContact CB-CD1 4.46Å |
| 426 | N | 80.8 | Confident | 82.1 | Confident | 72 Ų | 72 | 27.6 Ų | 27.6 | 39% | 0.385 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 120.5 | -174.4 | -170.1 | 90.1 | 0 | 0 | 0 | 112.8 | E428 D699 N715 | N426-E428 PolarHBondContact O-N 3.39Å; N426-E428 VanDerWaalsContact O-N 3.15Å; N426-D699 PolarHBondContact ND2-OD2 2.95Å; N426-D699 PolarHBondContact OD1-OD2 3.21Å; N426-N715 PolarHBondContact O-ND2 2.84Å |
| 427 | N | 84.2 | Confident | 84.1 | Confident | 58 Ų | 58 | 26.4 Ų | 26.4 | 31% | 0.31 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 31.5 | -177.4 | -70.4 | -39.2 | 0 | 0 | 0 | 113.8 | K425 N429 H698 D699 | K425-N427 PolarHBondContact O-N 2.58Å; K425-N427 VanDerWaalsContact O-N 3.15Å; N427-N429 PolarHBondContact O-N 2.85Å; N427-N429 PolarHBondContact O-ND2 3.3Å; N427-H698 HydrophobicContact CB-CB 3.85Å; N427-D699 VanDerWaalsContact ND2-CG 3.29Å; N427-D699 PolarHBondContact ND2-OD1 3.44Å; N427-D699 PolarHBondContact ND2-OD2 3.49Å |
| 428 | E | 91.6 | Very high | 86.2 | Confident | 10 Ų | 10 | 25.4 Ų | 25.4 | 5% | 0.047 | 14% | 0.135 | C | C | . | . | trans | -83 | 93.1 | 166.1 | -174.4 | 55 | -100.9 | 0 | 0 | 109.4 | E423 K425 N426 R430 K489 N715 | E423-E428 HydrophobicContact CB-CB 4.03Å; E423-E428 HydrophobicContact CB-CG 3.61Å; E423-E428 HydrophobicContact CG-CG 3.78Å; K425-E428 HydrophobicContact CB-CB 3.96Å; K425-E428 WeakPolarHBondContact O-CB 3.46Å; K425-E428 PolarHBondContact O-N 3.27Å; N426-E428 PolarHBondContact O-N 3.39Å; N426-E428 VanDerWaalsContact O-N 3.15Å; E428-R430 VanDerWaalsContact CD-NH2 3.31Å; E428-R430 WeakPolarHBondContact OE1-CB 3.39Å; E428-R430 WeakPolarHBondContact OE1-CG 3.48Å; E428-R430 IonicContact OE1-CZ 3.54Å; E428-R430 PolarHBondContact OE1-N 3.27Å; E428-R430 IonicContact OE1-NE 3.62Å; E428-R430 PolarHBondContact OE1-NE 3.4Å; E428-R430 IonicContact OE1-NH2 3.41Å; E428-R430 PolarHBondContact OE1-NH2 3.18Å; E428-R430 IonicContact OE2-CZ 3.7Å; E428-R430 IonicContact OE2-NE 3.55Å; E428-R430 IonicContact OE2-NH2 2.84Å; E428-R430 PolarHBondContact OE2-NH2 3.18Å; E428-K489 HydrophobicContact CG-CG 3.93Å; E428-K489 VanDerWaalsContact OE2-CG 3.3Å; E428-K489 WeakPolarHBondContact OE2-CG 3.38Å; E428-N715 WeakPolarHBondContact OE2-CB 3.33Å | ||
| 429 | N | 92.3 | Very high | 88.6 | Confident | 63 Ų | 63 | 30.8 Ų | 30.8 | 34% | 0.337 | 16% | 0.158 | S | C | . | . | trans | -94 | -2.5 | -175.3 | -64.9 | -58.8 | 0 | 0 | 0 | 113.5 | N427 G457 S458 G718 P721 | N427-N429 PolarHBondContact O-N 2.85Å; N427-N429 PolarHBondContact O-ND2 3.3Å; N429-G457 CarbonylContact O-C 3.41Å; N429-S458 PolarHBondContact O-N 3.49Å; N429-S458 VanDerWaalsContact O-N 3.17Å; N429-S458 PolarHBondContact O-OG 3.27Å; N429-G718 PolarHBondContact ND2-O 2.75Å; N429-P721 VanDerWaalsContact C-CB 3.5Å; N429-P721 HydrophobicContact CB-CB 3.63Å; N429-P721 HydrophobicContact CB-CG 3.62Å; N429-P721 VanDerWaalsContact O-CB 3.32Å; N429-P721 WeakPolarHBondContact O-CB 3.18Å | ||
| 430 | R | 96.7 | Very high | 89.7 | Confident | 8 Ų | 8 | 32 Ų | 32 | 3% | 0.03 | 17% | 0.171 | C | C | . | . | trans | -74.2 | 161.7 | 176.7 | -66.7 | 172.8 | -68 | 169.4 | -3.4 | 110.8 | E428 V488 M547 P721 A724 T725 | E428-R430 VanDerWaalsContact CD-NH2 3.31Å; E428-R430 WeakPolarHBondContact OE1-CB 3.39Å; E428-R430 WeakPolarHBondContact OE1-CG 3.48Å; E428-R430 IonicContact OE1-CZ 3.54Å; E428-R430 PolarHBondContact OE1-N 3.27Å; E428-R430 IonicContact OE1-NE 3.62Å; E428-R430 PolarHBondContact OE1-NE 3.4Å; E428-R430 IonicContact OE1-NH2 3.41Å; E428-R430 PolarHBondContact OE1-NH2 3.18Å; E428-R430 IonicContact OE2-CZ 3.7Å; E428-R430 IonicContact OE2-NE 3.55Å; E428-R430 IonicContact OE2-NH2 2.84Å; E428-R430 PolarHBondContact OE2-NH2 3.18Å; R430-V488 HydrophobicContact CB-CG1 4.16Å; R430-V488 HydrophobicContact CB-CG2 3.93Å; R430-V488 VanDerWaalsContact CZ-CG1 3.47Å; R430-M547 PolarHBondContact NH1-SD 2.92Å; R430-P721 HydrophobicContact CG-CB 4.14Å; R430-A724 VanDerWaalsContact CD-CB 3.42Å; R430-A724 HydrophobicContact CG-CB 3.91Å; R430-T725 WeakPolarHBondContact CA-OG1 3.15Å | ||
| 431 | V | 96.7 | Very high | 90.7 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | trans | -132.4 | 147.2 | 170.5 | 63.8 | 0 | 0 | 0 | 0 | 109.2 | I420 L433 A454 I460 Y465 T725 | I420-V431 HydrophobicContact CG2-CG2 3.55Å; V431-L433 VanDerWaalsContact C-N 3.32Å; V431-L433 PolarHBondContact O-N 2.98Å; V431-A454 HydrophobicContact CG2-CB 4.36Å; V431-I460 HydrophobicContact CG1-CD1 4.05Å; V431-Y465 VanDerWaalsContact CG1-OH 3.32Å; V431-Y465 WeakPolarHBondContact CG1-OH 3.3Å; V431-Y465 WeakPolarHBondContact CG2-OH 3.49Å; V431-T725 HydrophobicContact CG1-CG2 3.61Å; V431-T725 PolarHBondContact N-OG1 3.15Å; V431-T725 VanDerWaalsContact N-OG1 3.14Å; V431-T725 WeakPolarHBondContact O-CG2 3.33Å | ||
| 432 | A | 96.4 | Very high | 91.6 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 3% | 0.033 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -68.9 | -30.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L486 V488 | A432-L486 HydrophobicContact CB-CB 3.85Å; A432-V488 HydrophobicContact CB-CG2 4.29Å |
| 433 | L | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -137.6 | 116.4 | -177.4 | -154.7 | 72.3 | 0 | 0 | 0 | 111.1 | I420 V431 V438 L441 V448 Y465 L486 M733 | I420-L433 HydrophobicContact CD1-CB 3.56Å; I420-L433 HydrophobicContact CD1-CD2 3.8Å; I420-L433 HydrophobicContact CD1-CG 4.29Å; I420-L433 HydrophobicContact CG1-CB 4.03Å; V431-L433 VanDerWaalsContact C-N 3.32Å; V431-L433 PolarHBondContact O-N 2.98Å; L433-V438 HydrophobicContact CD2-CG2 3.89Å; L433-V438 HydrophobicContact CG-CG2 4.29Å; L433-L441 HydrophobicContact CD2-CD1 3.7Å; L433-V448 HydrophobicContact CD2-CG1 4.41Å; L433-Y465 WeakPolarHBondContact O-CE1 3.49Å; L433-Y465 PolarHBondContact O-OH 2.91Å; L433-L486 HydrophobicContact CD1-CD1 4.39Å; L433-L486 HydrophobicContact CD2-CD1 4.32Å; L433-M733 HydrophobicContact CD1-SD 3.95Å | ||
| 434 | P | 96.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -80.4 | 171.6 | 169.6 | 32.9 | -32.5 | 0 | 0 | 0 | 111.4 | S436 G437 V438 I460 T725 Y726 S729 | P434-S436 PolarHBondContact O-N 3.09Å; P434-G437 PolarHBondContact O-N 3.15Å; P434-V438 PolarHBondContact O-N 3.18Å; P434-I460 HydrophobicContact CB-CD1 3.95Å; P434-T725 HydrophobicContact CB-CG2 4.02Å; P434-T725 HydrophobicContact CG-CG2 4.26Å; P434-Y726 HydrophobicContact CB-CD1 4.14Å; P434-Y726 HydrophobicContact CB-CE1 3.72Å; P434-Y726 HydrophobicContact CG-CD1 3.92Å; P434-Y726 HydrophobicContact CG-CE1 3.96Å; P434-S729 WeakPolarHBondContact CD-OG 3.4Å | ||
| 435 | P | 95.9 | Very high | 90.8 | Very high | 22 Ų | 22 | 38 Ų | 38 | 14% | 0.143 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -52.2 | -32.5 | -178.6 | -31 | 36.8 | 0 | 0 | 0 | 114.7 | G437 V438 F439 I460 E464 A468 | P435-G437 PolarHBondContact O-N 2.6Å; P435-V438 PolarHBondContact O-N 2.83Å; P435-F439 WeakPolarHBondContact O-CB 2.94Å; P435-F439 PolarHBondContact O-N 3.24Å; P435-I460 HydrophobicContact CG-CG2 3.62Å; P435-E464 HydrophobicContact CG-CB 4.17Å; P435-A468 HydrophobicContact CB-CB 3.88Å; P435-A468 WeakPolarHBondContact O-CB 3.32Å |
| 436 | S | 92.7 | Very high | 90.9 | Very high | 66 Ų | 66 | 37.2 Ų | 37.2 | 46% | 0.462 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.6 | -38 | 176.4 | 54.1 | 0 | 0 | 0 | 0 | 113.3 | P434 G440 | P434-S436 PolarHBondContact O-N 3.09Å; S436-G440 PolarHBondContact O-N 3.46Å |
| 437 | G | 93.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -75.5 | -36.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P434 P435 G440 L441 | P434-G437 PolarHBondContact O-N 3.15Å; P435-G437 PolarHBondContact O-N 2.6Å; G437-G440 PolarHBondContact O-N 3.08Å; G437-L441 PolarHBondContact O-N 3.35Å |
| 438 | V | 96 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58 | -52.3 | 173.1 | 173.3 | 0 | 0 | 0 | 0 | 110 | I420 L433 P434 P435 G440 L441 T442 V448 Y465 A468 A470 | I420-V438 HydrophobicContact CD1-CG2 4.36Å; L433-V438 HydrophobicContact CD2-CG2 3.89Å; L433-V438 HydrophobicContact CG-CG2 4.29Å; P434-V438 PolarHBondContact O-N 3.18Å; P435-V438 PolarHBondContact O-N 2.83Å; V438-G440 VanDerWaalsContact C-N 3.25Å; V438-G440 PolarHBondContact O-N 2.72Å; V438-L441 PolarHBondContact O-N 3.01Å; V438-L441 VanDerWaalsContact O-N 3.13Å; V438-T442 HydrophobicContact CG1-CG2 4.14Å; V438-T442 WeakPolarHBondContact O-CG2 3.46Å; V438-T442 PolarHBondContact O-N 3.03Å; V438-T442 PolarHBondContact O-OG1 3.4Å; V438-T442 VanDerWaalsContact O-OG1 3.04Å; V438-V448 HydrophobicContact CG1-CB 4.29Å; V438-V448 HydrophobicContact CG1-CG1 4.31Å; V438-V448 HydrophobicContact CG2-CG1 4.14Å; V438-Y465 HydrophobicContact CG2-CD1 3.78Å; V438-Y465 HydrophobicContact CG2-CE1 3.83Å; V438-A468 HydrophobicContact CB-CB 4.04Å; V438-A468 HydrophobicContact CG1-CB 3.83Å; V438-A470 HydrophobicContact CG1-CB 3.64Å |
| 439 | F | 91.9 | Very high | 91.5 | Very high | 120 Ų | 120 | 33.4 Ų | 33.4 | 53% | 0.526 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -57.4 | -38.3 | 177 | -176.9 | -102 | 0 | 0 | 0 | 112.4 | P435 T442 N443 A468 | P435-F439 WeakPolarHBondContact O-CB 2.94Å; P435-F439 PolarHBondContact O-N 3.24Å; F439-T442 WeakPolarHBondContact CA-OG1 3.26Å; F439-T442 PolarHBondContact O-OG1 3.21Å; F439-N443 WeakPolarHBondContact CD1-ND2 3.16Å; F439-N443 WeakPolarHBondContact CE1-ND2 3.38Å; F439-N443 WeakPolarHBondContact CE2-ND2 3.47Å; F439-N443 WeakPolarHBondContact CZ-ND2 3.41Å; F439-N443 WeakPolarHBondContact O-CB 3.42Å; F439-N443 VanDerWaalsContact O-CG 3.26Å; F439-N443 PolarHBondContact O-N 3.36Å; F439-N443 VanDerWaalsContact O-N 3.12Å; F439-N443 PolarHBondContact O-ND2 3.33Å; F439-A468 WeakPolarHBondContact CA-O 3.37Å; F439-A468 HydrophobicContact CB-CB 4.33Å |
| 440 | G | 88.1 | Confident | 91.7 | Very high | 26 Ų | 26 | 30.4 Ų | 30.4 | 27% | 0.268 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.5 | -47.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S436 G437 V438 L444 | S436-G440 PolarHBondContact O-N 3.46Å; G437-G440 PolarHBondContact O-N 3.08Å; V438-G440 VanDerWaalsContact C-N 3.25Å; V438-G440 PolarHBondContact O-N 2.72Å; G440-L444 WeakPolarHBondContact O-CG 3.35Å; G440-L444 PolarHBondContact O-N 3.05Å |
| 441 | L | 91.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.2 | -43 | 179.7 | -73.1 | 179.2 | 0 | 0 | 0 | 112.8 | T418 L433 G437 V438 N443 L444 G445 H446 V448 M733 V736 A740 | T418-L441 HydrophobicContact CG2-CD1 4.28Å; L433-L441 HydrophobicContact CD2-CD1 3.7Å; G437-L441 PolarHBondContact O-N 3.35Å; V438-L441 PolarHBondContact O-N 3.01Å; V438-L441 VanDerWaalsContact O-N 3.13Å; L441-N443 VanDerWaalsContact C-N 3.34Å; L441-N443 PolarHBondContact O-N 3.44Å; L441-L444 CarbonylContact O-C 3.49Å; L441-L444 WeakPolarHBondContact O-CB 3.37Å; L441-L444 PolarHBondContact O-N 3.44Å; L441-L444 VanDerWaalsContact O-N 3.07Å; L441-G445 PolarHBondContact O-N 2.95Å; L441-H446 HydrophobicContact CB-CB 4.13Å; L441-H446 WeakPolarHBondContact O-CB 3.39Å; L441-H446 PolarHBondContact O-CD2 2.92Å; L441-H446 PolarHBondContact O-N 3.1Å; L441-V448 HydrophobicContact CB-CG2 3.63Å; L441-V448 HydrophobicContact CD1-CG2 3.95Å; L441-V448 HydrophobicContact CG-CG2 4.46Å; L441-M733 HydrophobicContact CD1-CE 4.48Å; L441-M733 HydrophobicContact CD2-CE 3.91Å; L441-M733 HydrophobicContact CG-CE 3.84Å; L441-V736 HydrophobicContact CD1-CG1 3.96Å; L441-V736 HydrophobicContact CD2-CG1 4.15Å; L441-V736 HydrophobicContact CG-CG1 4.47Å; L441-A740 HydrophobicContact CD2-CB 4.13Å |
| 442 | T | 89.9 | Confident | 91.5 | Very high | 33 Ų | 33 | 33.2 Ų | 33.2 | 20% | 0.202 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.4 | -37.7 | -179.3 | 55.4 | 0 | 0 | 0 | 0 | 111.7 | V438 F439 L444 G445 H446 V448 A468 G469 | V438-T442 HydrophobicContact CG1-CG2 4.14Å; V438-T442 WeakPolarHBondContact O-CG2 3.46Å; V438-T442 PolarHBondContact O-N 3.03Å; V438-T442 PolarHBondContact O-OG1 3.4Å; V438-T442 VanDerWaalsContact O-OG1 3.04Å; F439-T442 WeakPolarHBondContact CA-OG1 3.26Å; F439-T442 PolarHBondContact O-OG1 3.21Å; T442-L444 PolarHBondContact O-N 3.24Å; T442-G445 PolarHBondContact O-N 3.48Å; T442-H446 WeakPolarHBondContact CA-O 3.37Å; T442-V448 HydrophobicContact CG2-CB 4.36Å; T442-V448 HydrophobicContact CG2-CG2 3.97Å; T442-A468 PolarHBondContact OG1-O 3.03Å; T442-A468 VanDerWaalsContact OG1-O 3.12Å; T442-G469 WeakPolarHBondContact CG2-O 3.32Å |
| 443 | N | 84.8 | Confident | 91.4 | Very high | 106 Ų | 106 | 38.7 Ų | 38.7 | 57% | 0.567 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -66.5 | -23.5 | 172.6 | -76.7 | -38.6 | 0 | 0 | 0 | 114.2 | F439 L441 | F439-N443 WeakPolarHBondContact CD1-ND2 3.16Å; F439-N443 WeakPolarHBondContact CE1-ND2 3.38Å; F439-N443 WeakPolarHBondContact CE2-ND2 3.47Å; F439-N443 WeakPolarHBondContact CZ-ND2 3.41Å; F439-N443 WeakPolarHBondContact O-CB 3.42Å; F439-N443 VanDerWaalsContact O-CG 3.26Å; F439-N443 PolarHBondContact O-N 3.36Å; F439-N443 VanDerWaalsContact O-N 3.12Å; F439-N443 PolarHBondContact O-ND2 3.33Å; L441-N443 VanDerWaalsContact C-N 3.34Å; L441-N443 PolarHBondContact O-N 3.44Å |
| 444 | L | 83.8 | Confident | 91.4 | Very high | 93 Ų | 93 | 39 Ų | 39 | 49% | 0.487 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 2.5 | 173 | -68.4 | 172.9 | 0 | 0 | 0 | 112.5 | G440 L441 T442 | G440-L444 WeakPolarHBondContact O-CG 3.35Å; G440-L444 PolarHBondContact O-N 3.05Å; L441-L444 CarbonylContact O-C 3.49Å; L441-L444 WeakPolarHBondContact O-CB 3.37Å; L441-L444 PolarHBondContact O-N 3.44Å; L441-L444 VanDerWaalsContact O-N 3.07Å; T442-L444 PolarHBondContact O-N 3.24Å |
| 445 | G | 82.6 | Confident | 91.3 | Very high | 67 Ų | 67 | 39 Ų | 39 | 69% | 0.691 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.7 | 5.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | L441 T442 | L441-G445 PolarHBondContact O-N 2.95Å; T442-G445 PolarHBondContact O-N 3.48Å |
| 446 | H | 87.2 | Confident | 91.3 | Very high | 29 Ų | 29 | 42.9 Ų | 42.9 | 13% | 0.134 | 24% | 0.244 | C | C | . | . | trans | -81.7 | 136.7 | 177.2 | -60.8 | -67.2 | 0 | 0 | 0 | 110.9 | L441 T442 A740 N741 | L441-H446 HydrophobicContact CB-CB 4.13Å; L441-H446 WeakPolarHBondContact O-CB 3.39Å; L441-H446 PolarHBondContact O-CD2 2.92Å; L441-H446 PolarHBondContact O-N 3.1Å; T442-H446 WeakPolarHBondContact CA-O 3.37Å; H446-A740 PolarHBondContact CE1-O 3.42Å; H446-N741 PolarHBondContact NE2-OD1 3.43Å | ||
| 447 | K | 84.6 | Confident | 91.3 | Very high | 54 Ų | 54 | 41.3 Ų | 41.3 | 24% | 0.235 | 24% | 0.238 | C | C | . | . | trans | -83.3 | 128.7 | 166.8 | -154.3 | 179.7 | 179.7 | 162.1 | 0 | 108.4 | S416 L449 | S416-K447 VanDerWaalsContact CB-N 3.29Å; K447-L449 HydrophobicContact CD-CD2 3.86Å; K447-L449 HydrophobicContact CG-CD2 3.8Å | ||
| 448 | V | 92.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 120.5 | 178 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | T418 I420 L433 V438 L441 T442 V450 A470 T471 | T418-V448 WeakPolarHBondContact O-CA 3.27Å; I420-V448 HydrophobicContact CD1-CG1 3.51Å; L433-V448 HydrophobicContact CD2-CG1 4.41Å; V438-V448 HydrophobicContact CG1-CB 4.29Å; V438-V448 HydrophobicContact CG1-CG1 4.31Å; V438-V448 HydrophobicContact CG2-CG1 4.14Å; L441-V448 HydrophobicContact CB-CG2 3.63Å; L441-V448 HydrophobicContact CD1-CG2 3.95Å; L441-V448 HydrophobicContact CG-CG2 4.46Å; T442-V448 HydrophobicContact CG2-CB 4.36Å; T442-V448 HydrophobicContact CG2-CG2 3.97Å; V448-V450 HydrophobicContact CG1-CG2 4.26Å; V448-A470 HydrophobicContact CB-CB 4.5Å; V448-A470 HydrophobicContact CG1-CB 4.48Å; V448-A470 CarbonylContact O-C 3.01Å; V448-A470 VanDerWaalsContact O-CA 3.31Å; V448-A470 WeakPolarHBondContact O-CA 3.3Å; V448-T471 PolarHBondContact O-N 2.65Å |
| 449 | L | 93 | Very high | 91.4 | Very high | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 132.3 | 176.3 | -31 | 170 | 0 | 0 | 0 | 110.2 | T418 R419 I420 K447 T471 V473 | T418-L449 PolarHBondContact O-N 3.29Å; R419-L449 CarbonylContact C-O 3.45Å; R419-L449 WeakPolarHBondContact CA-O 3.41Å; R419-L449 HydrophobicContact CB-CB 4.33Å; R419-L449 HydrophobicContact CG-CB 3.62Å; R419-L449 HydrophobicContact CG-CD1 3.63Å; R419-L449 HydrophobicContact CG-CG 3.76Å; R419-L449 VanDerWaalsContact NE-CD1 3.34Å; I420-L449 PolarHBondContact N-O 3.38Å; K447-L449 HydrophobicContact CD-CD2 3.86Å; K447-L449 HydrophobicContact CG-CD2 3.8Å; L449-T471 CarbonylContact C-O 3.54Å; L449-T471 VanDerWaalsContact CA-O 3.27Å; L449-T471 WeakPolarHBondContact CA-O 3.31Å; L449-T471 HydrophobicContact CD2-CG2 4.2Å; L449-V473 HydrophobicContact CB-CG1 3.88Å |
| 450 | V | 95.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.5 | -174 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | I420 V448 T452 A454 Y465 A470 T471 I472 V473 | I420-V450 HydrophobicContact CB-CG2 4.33Å; I420-V450 HydrophobicContact CD1-CG2 3.69Å; V448-V450 HydrophobicContact CG1-CG2 4.26Å; V450-T452 PolarHBondContact O-N 2.78Å; V450-A454 HydrophobicContact CG1-CB 3.86Å; V450-Y465 HydrophobicContact CB-CD1 4.49Å; V450-Y465 HydrophobicContact CB-CG 4.44Å; V450-Y465 HydrophobicContact CG1-CD1 4.2Å; V450-Y465 HydrophobicContact CG1-CD2 3.88Å; V450-Y465 HydrophobicContact CG1-CE1 4.25Å; V450-Y465 HydrophobicContact CG1-CE2 3.9Å; V450-Y465 HydrophobicContact CG1-CG 4.03Å; V450-Y465 HydrophobicContact CG2-CD1 3.77Å; V450-Y465 HydrophobicContact CG2-CE1 4.09Å; V450-Y465 HydrophobicContact CG2-CG 4.17Å; V450-A470 HydrophobicContact CB-CB 4.5Å; V450-A470 HydrophobicContact CG2-CB 3.66Å; V450-T471 PolarHBondContact N-O 3.26Å; V450-I472 HydrophobicContact CB-CD1 4.1Å; V450-I472 HydrophobicContact CG1-CD1 4.4Å; V450-I472 CarbonylContact O-C 3.34Å; V450-I472 WeakPolarHBondContact O-CA 3.48Å; V450-V473 WeakPolarHBondContact O-CG2 3.46Å; V450-V473 PolarHBondContact O-N 3.28Å |
| 451 | E | 95.1 | Very high | 92.1 | Very high | 26 Ų | 26 | 41 Ų | 41 | 12% | 0.121 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 135.5 | 171.6 | -171.3 | 178.7 | 159.3 | 0 | 0 | 110 | I420 K422 K453 A454 A476 A479 | I420-E451 PolarHBondContact O-N 2.84Å; K422-E451 HydrophobicContact CB-CB 4.3Å; K422-E451 VanDerWaalsContact CB-CD 3.44Å; K422-E451 HydrophobicContact CB-CG 4.19Å; K422-E451 WeakPolarHBondContact CB-OE2 3.46Å; K422-E451 PolarHBondContact N-OE2 2.95Å; E451-K453 PolarHBondContact O-N 2.95Å; E451-A454 HydrophobicContact CB-CB 4.33Å; E451-A454 WeakPolarHBondContact O-CB 3.36Å; E451-A454 PolarHBondContact O-N 2.84Å; E451-A476 WeakPolarHBondContact OE2-CA 3.49Å; E451-A479 HydrophobicContact CB-CB 3.77Å |
| 452 | T | 94.3 | Very high | 92.4 | Very high | 44 Ų | 44 | 42.7 Ų | 42.7 | 27% | 0.27 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 132.6 | 176.1 | -177.5 | 0 | 0 | 0 | 0 | 111 | V450 A454 D462 V473 P474 | V450-T452 PolarHBondContact O-N 2.78Å; T452-A454 PolarHBondContact O-N 3.02Å; T452-D462 WeakPolarHBondContact CA-OD2 3.43Å; T452-D462 WeakPolarHBondContact CB-OD2 3.12Å; T452-D462 PolarHBondContact OG1-OD2 2.87Å; T452-V473 PolarHBondContact N-O 2.75Å; T452-P474 WeakPolarHBondContact CG2-O 3.34Å |
| 453 | K | 94.7 | Very high | 92.7 | Very high | 119 Ų | 119 | 47.4 Ų | 47.4 | 52% | 0.517 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 18.6 | -178.1 | -51.6 | 172.2 | -176.3 | 174.1 | 0 | 114.7 | E451 G455 L456 D462 | E451-K453 PolarHBondContact O-N 2.95Å; K453-G455 VanDerWaalsContact C-N 3.34Å; K453-G455 PolarHBondContact O-N 3.09Å; K453-L456 HydrophobicContact CB-CB 4.26Å; K453-L456 HydrophobicContact CB-CD2 4.4Å; K453-L456 PolarHBondContact O-N 2.88Å; K453-D462 WeakPolarHBondContact CA-OD1 3.14Å; K453-D462 PolarHBondContact N-OD1 2.81Å; K453-D462 PolarHBondContact N-OD2 3.45Å |
| 454 | A | 94.9 | Very high | 93.3 | Very high | 7 Ų | 7 | 45.7 Ų | 45.7 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K422 V431 V450 E451 T452 | K422-A454 HydrophobicContact CB-CB 4.2Å; V431-A454 HydrophobicContact CG2-CB 4.36Å; V450-A454 HydrophobicContact CG1-CB 3.86Å; E451-A454 HydrophobicContact CB-CB 4.33Å; E451-A454 WeakPolarHBondContact O-CB 3.36Å; E451-A454 PolarHBondContact O-N 2.84Å; T452-A454 PolarHBondContact O-N 3.02Å |
| 455 | G | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | K453 G457 S458 A459 I460 | K453-G455 VanDerWaalsContact C-N 3.34Å; K453-G455 PolarHBondContact O-N 3.09Å; G455-G457 VanDerWaalsContact C-N 3.26Å; G455-G457 PolarHBondContact O-N 3.3Å; G455-S458 CarbonylContact O-C 3.57Å; G455-S458 WeakPolarHBondContact O-CA 3.36Å; G455-S458 WeakPolarHBondContact O-CB 3.34Å; G455-S458 PolarHBondContact O-N 3.24Å; G455-A459 PolarHBondContact O-N 2.81Å; G455-I460 CarbonylContact C-O 3.18Å; G455-I460 PolarHBondContact O-N 2.82Å |
| 456 | L | 95.1 | Very high | 94.6 | Very high | 103 Ų | 103 | 43.4 Ų | 43.4 | 54% | 0.539 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -60.8 | -36.4 | -170.5 | -170 | 66.9 | 0 | 0 | 0 | 112.2 | K453 S458 A459 I460 | K453-L456 HydrophobicContact CB-CB 4.26Å; K453-L456 HydrophobicContact CB-CD2 4.4Å; K453-L456 PolarHBondContact O-N 2.88Å; L456-S458 PolarHBondContact O-N 2.93Å; L456-A459 PolarHBondContact O-N 2.94Å; L456-I460 WeakPolarHBondContact CA-O 3.29Å; L456-I460 PolarHBondContact N-O 3.37Å |
| 457 | G | 92.1 | Very high | 95.1 | Very high | 32 Ų | 32 | 48.1 Ų | 48.1 | 33% | 0.33 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -64 | -26.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | N429 G455 A459 P721 | N429-G457 CarbonylContact O-C 3.41Å; G455-G457 VanDerWaalsContact C-N 3.26Å; G455-G457 PolarHBondContact O-N 3.3Å; G457-A459 VanDerWaalsContact C-N 3.31Å; G457-P721 WeakPolarHBondContact O-CG 2.87Å |
| 458 | S | 95.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -91.5 | 11.6 | 174.3 | -62 | 0 | 0 | 0 | 0 | 113.2 | N429 G455 L456 I460 T725 | N429-S458 PolarHBondContact O-N 3.49Å; N429-S458 VanDerWaalsContact O-N 3.17Å; N429-S458 PolarHBondContact O-OG 3.27Å; G455-S458 CarbonylContact O-C 3.57Å; G455-S458 WeakPolarHBondContact O-CA 3.36Å; G455-S458 WeakPolarHBondContact O-CB 3.34Å; G455-S458 PolarHBondContact O-N 3.24Å; L456-S458 PolarHBondContact O-N 2.93Å; S458-I460 VanDerWaalsContact C-N 3.28Å; S458-I460 PolarHBondContact O-N 3.04Å; S458-T725 PolarHBondContact OG-OG1 3Å |
| 459 | A | 96.3 | Very high | 95.6 | Very high | 77 Ų | 77 | 48 Ų | 48 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 36.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G455 L456 G457 | G455-A459 PolarHBondContact O-N 2.81Å; L456-A459 PolarHBondContact O-N 2.94Å; G457-A459 VanDerWaalsContact C-N 3.31Å |
| 460 | I | 97.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | trans | -114.3 | 121.2 | 175 | -59 | 159.4 | 0 | 0 | 0 | 108.1 | V431 P434 P435 G455 L456 S458 E464 Y465 T725 | V431-I460 HydrophobicContact CG1-CD1 4.05Å; P434-I460 HydrophobicContact CB-CD1 3.95Å; P435-I460 HydrophobicContact CG-CG2 3.62Å; G455-I460 CarbonylContact C-O 3.18Å; G455-I460 PolarHBondContact O-N 2.82Å; L456-I460 WeakPolarHBondContact CA-O 3.29Å; L456-I460 PolarHBondContact N-O 3.37Å; S458-I460 VanDerWaalsContact C-N 3.28Å; S458-I460 PolarHBondContact O-N 3.04Å; I460-E464 HydrophobicContact CG2-CB 4.24Å; I460-Y465 HydrophobicContact CB-CE2 4.24Å; I460-Y465 HydrophobicContact CG2-CD2 3.8Å; I460-Y465 HydrophobicContact CG2-CE1 4.42Å; I460-Y465 HydrophobicContact CG2-CE2 3.43Å; I460-Y465 VanDerWaalsContact CG2-CE2 3.43Å; I460-Y465 HydrophobicContact CG2-CG 4.43Å; I460-T725 HydrophobicContact CD1-CG2 4.31Å | ||
| 461 | T | 97.5 | Very high | 95.5 | Very high | 59 Ų | 59 | 51 Ų | 51 | 36% | 0.362 | 29% | 0.288 | S | S | . | . | trans | -85.2 | 157.3 | -179.8 | 61.9 | 0 | 0 | 0 | 0 | 112.6 | K463 E464 Y465 | T461-K463 PolarHBondContact O-N 3.06Å; T461-E464 WeakPolarHBondContact CB-OE2 3.15Å; T461-E464 WeakPolarHBondContact CG2-OE2 3.29Å; T461-E464 PolarHBondContact N-OE2 3.32Å; T461-E464 PolarHBondContact O-N 3.42Å; T461-E464 VanDerWaalsContact O-N 3.07Å; T461-E464 WeakPolarHBondContact OG1-CG 3.39Å; T461-E464 PolarHBondContact OG1-N 2.93Å; T461-E464 PolarHBondContact OG1-OE2 2.95Å; T461-Y465 WeakPolarHBondContact O-CD2 3.43Å; T461-Y465 PolarHBondContact O-N 3Å | ||
| 462 | D | 97.8 | Very high | 95.5 | Very high | 36 Ų | 36 | 51.7 Ų | 51.7 | 19% | 0.193 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -54.8 | -36.5 | 171.9 | -71.7 | 7.4 | 0 | 0 | 0 | 111.2 | T452 K453 E464 Y465 E466 I472 | T452-D462 WeakPolarHBondContact CA-OD2 3.43Å; T452-D462 WeakPolarHBondContact CB-OD2 3.12Å; T452-D462 PolarHBondContact OG1-OD2 2.87Å; K453-D462 WeakPolarHBondContact CA-OD1 3.14Å; K453-D462 PolarHBondContact N-OD1 2.81Å; K453-D462 PolarHBondContact N-OD2 3.45Å; D462-E464 PolarHBondContact O-N 3.37Å; D462-Y465 WeakPolarHBondContact O-CB 3.48Å; D462-Y465 PolarHBondContact O-N 3.07Å; D462-E466 WeakPolarHBondContact O-CG 3.2Å; D462-E466 PolarHBondContact O-N 3.32Å; D462-I472 HydrophobicContact CB-CD1 3.96Å; D462-I472 HydrophobicContact CB-CG1 4.07Å |
| 463 | K | 97.1 | Very high | 95.3 | Very high | 132 Ų | 132 | 50.2 Ų | 50.2 | 57% | 0.574 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.7 | -43.1 | 176.1 | -169.8 | -175.8 | -177.2 | -114.1 | 0 | 112.5 | T461 Y465 E466 E467 | T461-K463 PolarHBondContact O-N 3.06Å; K463-Y465 VanDerWaalsContact C-N 3.26Å; K463-Y465 PolarHBondContact O-N 3.05Å; K463-E466 PolarHBondContact O-N 3.46Å; K463-E467 VanDerWaalsContact CE-OE1 3.23Å; K463-E467 WeakPolarHBondContact CE-OE1 3.4Å; K463-E467 IonicContact NZ-OE1 2.92Å; K463-E467 PolarHBondContact NZ-OE1 2.66Å; K463-E467 WeakPolarHBondContact O-CB 3.38Å; K463-E467 VanDerWaalsContact O-CG 3.29Å; K463-E467 WeakPolarHBondContact O-CG 3.5Å; K463-E467 PolarHBondContact O-N 2.7Å |
| 464 | E | 97.4 | Very high | 94.8 | Very high | 71 Ų | 71 | 49 Ų | 49 | 33% | 0.332 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.5 | -32.1 | 177.2 | -73.5 | 164.8 | 88.7 | 0 | 0 | 111.9 | P435 I460 T461 D462 A468 | P435-E464 HydrophobicContact CG-CB 4.17Å; I460-E464 HydrophobicContact CG2-CB 4.24Å; T461-E464 WeakPolarHBondContact CB-OE2 3.15Å; T461-E464 WeakPolarHBondContact CG2-OE2 3.29Å; T461-E464 PolarHBondContact N-OE2 3.32Å; T461-E464 PolarHBondContact O-N 3.42Å; T461-E464 VanDerWaalsContact O-N 3.07Å; T461-E464 WeakPolarHBondContact OG1-CG 3.39Å; T461-E464 PolarHBondContact OG1-N 2.93Å; T461-E464 PolarHBondContact OG1-OE2 2.95Å; D462-E464 PolarHBondContact O-N 3.37Å; E464-A468 PolarHBondContact O-N 2.98Å |
| 465 | Y | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.5 | -46.7 | 171.5 | -83.4 | -62.7 | 0 | 0 | 0 | 112.2 | V431 L433 V438 V450 I460 T461 D462 K463 E467 A468 G469 A470 | V431-Y465 VanDerWaalsContact CG1-OH 3.32Å; V431-Y465 WeakPolarHBondContact CG1-OH 3.3Å; V431-Y465 WeakPolarHBondContact CG2-OH 3.49Å; L433-Y465 WeakPolarHBondContact O-CE1 3.49Å; L433-Y465 PolarHBondContact O-OH 2.91Å; V438-Y465 HydrophobicContact CG2-CD1 3.78Å; V438-Y465 HydrophobicContact CG2-CE1 3.83Å; V450-Y465 HydrophobicContact CB-CD1 4.49Å; V450-Y465 HydrophobicContact CB-CG 4.44Å; V450-Y465 HydrophobicContact CG1-CD1 4.2Å; V450-Y465 HydrophobicContact CG1-CD2 3.88Å; V450-Y465 HydrophobicContact CG1-CE1 4.25Å; V450-Y465 HydrophobicContact CG1-CE2 3.9Å; V450-Y465 HydrophobicContact CG1-CG 4.03Å; V450-Y465 HydrophobicContact CG2-CD1 3.77Å; V450-Y465 HydrophobicContact CG2-CE1 4.09Å; V450-Y465 HydrophobicContact CG2-CG 4.17Å; I460-Y465 HydrophobicContact CB-CE2 4.24Å; I460-Y465 HydrophobicContact CG2-CD2 3.8Å; I460-Y465 HydrophobicContact CG2-CE1 4.42Å; I460-Y465 HydrophobicContact CG2-CE2 3.43Å; I460-Y465 VanDerWaalsContact CG2-CE2 3.43Å; I460-Y465 HydrophobicContact CG2-CG 4.43Å; T461-Y465 WeakPolarHBondContact O-CD2 3.43Å; T461-Y465 PolarHBondContact O-N 3Å; D462-Y465 WeakPolarHBondContact O-CB 3.48Å; D462-Y465 PolarHBondContact O-N 3.07Å; K463-Y465 VanDerWaalsContact C-N 3.26Å; K463-Y465 PolarHBondContact O-N 3.05Å; Y465-E467 VanDerWaalsContact C-N 3.34Å; Y465-E467 PolarHBondContact O-N 2.71Å; Y465-A468 PolarHBondContact O-N 3.42Å; Y465-G469 PolarHBondContact O-N 2.95Å; Y465-A470 WeakPolarHBondContact O-CB 3.34Å; Y465-A470 PolarHBondContact O-N 3.34Å |
| 466 | E | 96.2 | Very high | 93.7 | Very high | 112 Ų | 112 | 52.6 Ų | 52.6 | 52% | 0.523 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 175.8 | -68.6 | 175.2 | 143.7 | 0 | 0 | 111.5 | D462 K463 A468 G469 I472 | D462-E466 WeakPolarHBondContact O-CG 3.2Å; D462-E466 PolarHBondContact O-N 3.32Å; K463-E466 PolarHBondContact O-N 3.46Å; E466-A468 PolarHBondContact O-N 2.92Å; E466-G469 WeakPolarHBondContact O-CA 3.48Å; E466-G469 PolarHBondContact O-N 3.39Å; E466-I472 HydrophobicContact CG-CD1 4.34Å; E466-I472 HydrophobicContact CG-CG1 3.59Å |
| 467 | E | 96.8 | Very high | 93 | Very high | 128 Ų | 128 | 52.4 Ų | 52.4 | 60% | 0.598 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.9 | -28.7 | 176.6 | -74.9 | 174.7 | 179 | 0 | 0 | 112.7 | K463 Y465 G469 | K463-E467 VanDerWaalsContact CE-OE1 3.23Å; K463-E467 WeakPolarHBondContact CE-OE1 3.4Å; K463-E467 IonicContact NZ-OE1 2.92Å; K463-E467 PolarHBondContact NZ-OE1 2.66Å; K463-E467 WeakPolarHBondContact O-CB 3.38Å; K463-E467 VanDerWaalsContact O-CG 3.29Å; K463-E467 WeakPolarHBondContact O-CG 3.5Å; K463-E467 PolarHBondContact O-N 2.7Å; Y465-E467 VanDerWaalsContact C-N 3.34Å; Y465-E467 PolarHBondContact O-N 2.71Å; E467-G469 VanDerWaalsContact C-N 3.32Å |
| 468 | A | 95.3 | Very high | 92.6 | Very high | 10 Ų | 10 | 52 Ų | 52 | 8% | 0.083 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -3.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114 | P435 V438 F439 T442 E464 Y465 E466 | P435-A468 HydrophobicContact CB-CB 3.88Å; P435-A468 WeakPolarHBondContact O-CB 3.32Å; V438-A468 HydrophobicContact CB-CB 4.04Å; V438-A468 HydrophobicContact CG1-CB 3.83Å; F439-A468 WeakPolarHBondContact CA-O 3.37Å; F439-A468 HydrophobicContact CB-CB 4.33Å; T442-A468 PolarHBondContact OG1-O 3.03Å; T442-A468 VanDerWaalsContact OG1-O 3.12Å; E464-A468 PolarHBondContact O-N 2.98Å; Y465-A468 PolarHBondContact O-N 3.42Å; E466-A468 PolarHBondContact O-N 2.92Å |
| 469 | G | 92.1 | Very high | 92.2 | Very high | 42 Ų | 42 | 51.8 Ų | 51.8 | 43% | 0.433 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | 9.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | T442 Y465 E466 E467 | T442-G469 WeakPolarHBondContact CG2-O 3.32Å; Y465-G469 PolarHBondContact O-N 2.95Å; E466-G469 WeakPolarHBondContact O-CA 3.48Å; E466-G469 PolarHBondContact O-N 3.39Å; E467-G469 VanDerWaalsContact C-N 3.32Å |
| 470 | A | 94.1 | Very high | 92 | Very high | 9 Ų | 9 | 48.3 Ų | 48.3 | 7% | 0.074 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 154.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V438 V448 V450 Y465 | V438-A470 HydrophobicContact CG1-CB 3.64Å; V448-A470 HydrophobicContact CB-CB 4.5Å; V448-A470 HydrophobicContact CG1-CB 4.48Å; V448-A470 CarbonylContact O-C 3.01Å; V448-A470 VanDerWaalsContact O-CA 3.31Å; V448-A470 WeakPolarHBondContact O-CA 3.3Å; V450-A470 HydrophobicContact CB-CB 4.5Å; V450-A470 HydrophobicContact CG2-CB 3.66Å; Y465-A470 WeakPolarHBondContact O-CB 3.34Å; Y465-A470 PolarHBondContact O-N 3.34Å |
| 471 | T | 93.7 | Very high | 91.3 | Very high | 60 Ų | 60 | 49 Ų | 49 | 37% | 0.368 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 122.3 | 164.5 | -53.9 | 0 | 0 | 0 | 0 | 109.3 | V448 L449 V450 | V448-T471 PolarHBondContact O-N 2.65Å; L449-T471 CarbonylContact C-O 3.54Å; L449-T471 VanDerWaalsContact CA-O 3.27Å; L449-T471 WeakPolarHBondContact CA-O 3.31Å; L449-T471 HydrophobicContact CD2-CG2 4.2Å; V450-T471 PolarHBondContact N-O 3.26Å |
| 472 | I | 94.4 | Very high | 90.8 | Very high | 40 Ų | 40 | 46.1 Ų | 46.1 | 21% | 0.205 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 132.4 | 174 | -55.3 | -59.9 | 0 | 0 | 0 | 109.8 | V450 D462 E466 | V450-I472 HydrophobicContact CB-CD1 4.1Å; V450-I472 HydrophobicContact CG1-CD1 4.4Å; V450-I472 CarbonylContact O-C 3.34Å; V450-I472 WeakPolarHBondContact O-CA 3.48Å; D462-I472 HydrophobicContact CB-CD1 3.96Å; D462-I472 HydrophobicContact CB-CG1 4.07Å; E466-I472 HydrophobicContact CG-CD1 4.34Å; E466-I472 HydrophobicContact CG-CG1 3.59Å |
| 473 | V | 89.8 | Confident | 90.3 | Very high | 12 Ų | 12 | 49.4 Ų | 49.4 | 7% | 0.073 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 148.6 | 176.4 | -63.1 | 0 | 0 | 0 | 0 | 110.9 | L449 V450 T452 D475 A479 | L449-V473 HydrophobicContact CB-CG1 3.88Å; V450-V473 WeakPolarHBondContact O-CG2 3.46Å; V450-V473 PolarHBondContact O-N 3.28Å; T452-V473 PolarHBondContact N-O 2.75Å; V473-D475 PolarHBondContact O-N 3.29Å; V473-A479 HydrophobicContact CG2-CB 3.95Å |
| 474 | P | 84.4 | Confident | 90.2 | Very high | 95 Ų | 95 | 43.5 Ų | 43.5 | 62% | 0.617 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -76.4 | -20.1 | -164.6 | 29.1 | -36.3 | 0 | 0 | 0 | 114.5 | T452 | T452-P474 WeakPolarHBondContact CG2-O 3.34Š|
| 475 | D | 80.7 | Confident | 90.2 | Very high | 61 Ų | 61 | 40.1 Ų | 40.1 | 33% | 0.326 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -153.1 | 165.3 | -170.8 | 54.2 | 45.2 | 0 | 0 | 0 | 113.2 | V473 M477 S478 A479 | V473-D475 PolarHBondContact O-N 3.29Å; D475-M477 VanDerWaalsContact C-N 3.27Å; D475-M477 PolarHBondContact O-N 2.91Å; D475-M477 PolarHBondContact OD1-N 3.28Å; D475-S478 WeakPolarHBondContact O-CB 3.44Å; D475-S478 PolarHBondContact O-N 3Å; D475-S478 WeakPolarHBondContact OD1-CB 3.4Å; D475-S478 PolarHBondContact OD1-N 3.43Å; D475-S478 PolarHBondContact OD1-OG 2.97Å; D475-A479 PolarHBondContact O-N 3.46Å |
| 476 | A | 86 | Confident | 90.2 | Very high | 21 Ų | 21 | 40.2 Ų | 40.2 | 17% | 0.174 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58 | -37.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E451 S478 A479 W480 Y498 | E451-A476 WeakPolarHBondContact OE2-CA 3.49Å; A476-S478 VanDerWaalsContact C-N 3.31Å; A476-S478 PolarHBondContact O-N 2.81Å; A476-A479 CarbonylContact O-C 3.55Å; A476-A479 WeakPolarHBondContact O-CA 3.37Å; A476-A479 PolarHBondContact O-N 2.88Å; A476-W480 WeakPolarHBondContact O-CB 3.33Å; A476-W480 PolarHBondContact O-N 2.96Å; A476-Y498 HydrophobicContact CB-CE2 4.26Å |
| 477 | M | 81.9 | Confident | 90.2 | Very high | 99 Ų | 99 | 34.9 Ų | 34.9 | 49% | 0.488 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.2 | -46.9 | 178.8 | -178.1 | 178 | 70.6 | 0 | 0 | 110.9 | D475 W480 A481 Y498 | D475-M477 VanDerWaalsContact C-N 3.27Å; D475-M477 PolarHBondContact O-N 2.91Å; D475-M477 PolarHBondContact OD1-N 3.28Å; M477-W480 PolarHBondContact O-N 2.79Å; M477-A481 PolarHBondContact O-N 2.98Å; M477-Y498 HydrophobicContact CB-CE1 3.9Å; M477-Y498 HydrophobicContact CG-CE1 4.28Å |
| 478 | S | 82.4 | Confident | 90.2 | Very high | 22 Ų | 22 | 28.8 Ų | 28.8 | 15% | 0.154 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.5 | -50.3 | 171 | -55.6 | 0 | 0 | 0 | 0 | 109.1 | R419 D475 A476 W480 A481 | R419-S478 WeakPolarHBondContact CD-O 3.42Å; R419-S478 PolarHBondContact NE-O 2.92Å; R419-S478 PolarHBondContact NH1-O 2.82Å; D475-S478 WeakPolarHBondContact O-CB 3.44Å; D475-S478 PolarHBondContact O-N 3Å; D475-S478 WeakPolarHBondContact OD1-CB 3.4Å; D475-S478 PolarHBondContact OD1-N 3.43Å; D475-S478 PolarHBondContact OD1-OG 2.97Å; A476-S478 VanDerWaalsContact C-N 3.31Å; A476-S478 PolarHBondContact O-N 2.81Å; S478-W480 PolarHBondContact O-N 2.75Å; S478-W480 VanDerWaalsContact O-N 3.15Å; S478-A481 PolarHBondContact O-N 3.2Å |
| 479 | A | 87.7 | Confident | 90.2 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.5 | -14.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | R419 P421 E451 V473 D475 A476 | R419-A479 WeakPolarHBondContact CB-O 3.4Å; R419-A479 VanDerWaalsContact CD-C 3.44Å; R419-A479 VanDerWaalsContact CD-O 3.29Å; R419-A479 WeakPolarHBondContact CD-O 3.36Å; P421-A479 HydrophobicContact CB-CB 3.94Å; E451-A479 HydrophobicContact CB-CB 3.77Å; V473-A479 HydrophobicContact CG2-CB 3.95Å; D475-A479 PolarHBondContact O-N 3.46Å; A476-A479 CarbonylContact O-C 3.55Å; A476-A479 WeakPolarHBondContact O-CA 3.37Å; A476-A479 PolarHBondContact O-N 2.88Å |
| 480 | W | 91.5 | Very high | 90.3 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 1% | 0.011 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -97.5 | -14.9 | 177.9 | -85.7 | 89.4 | 0 | 0 | 0 | 114.2 | A476 M477 S478 A482 V485 K487 P491 E495 Y498 F499 R500 L503 L505 | A476-W480 WeakPolarHBondContact O-CB 3.33Å; A476-W480 PolarHBondContact O-N 2.96Å; M477-W480 PolarHBondContact O-N 2.79Å; S478-W480 PolarHBondContact O-N 2.75Å; S478-W480 VanDerWaalsContact O-N 3.15Å; W480-A482 PolarHBondContact O-N 3.35Å; W480-V485 HydrophobicContact CD2-CG1 4.35Å; W480-V485 HydrophobicContact CE3-CG1 4.13Å; W480-V485 HydrophobicContact CE3-CG2 4.11Å; W480-V485 HydrophobicContact CH2-CG1 4.48Å; W480-V485 HydrophobicContact CZ3-CG1 4.2Å; W480-K487 HydrophobicContact CH2-CD 3.67Å; W480-K487 HydrophobicContact CZ2-CD 3.35Å; W480-P491 HydrophobicContact CH2-CB 4.26Å; W480-P491 HydrophobicContact CH2-CG 4Å; W480-E495 HydrophobicContact CH2-CB 4.48Å; W480-E495 HydrophobicContact CZ2-CB 3.9Å; W480-E495 HydrophobicContact CZ2-CG 4.13Å; W480-E495 WeakPolarHBondContact CZ2-OE1 3.5Å; W480-Y498 HydrophobicContact CB-CD1 4.02Å; W480-Y498 HydrophobicContact CB-CD2 4.23Å; W480-Y498 HydrophobicContact CB-CG 3.73Å; W480-Y498 AromaticContact CD1-CD2 3.53Å; W480-Y498 AromaticContact CD1-CE2 3.84Å; W480-Y498 AromaticContact CD1-CG 3.95Å; W480-Y498 AromaticContact CD2-CD2 3.84Å; W480-Y498 HydrophobicContact CD2-CD2 3.84Å; W480-Y498 AromaticContact CD2-CG 3.96Å; W480-Y498 HydrophobicContact CD2-CG 3.96Å; W480-Y498 AromaticContact CE2-CD2 3.85Å; W480-Y498 HydrophobicContact CG-CD1 4.3Å; W480-Y498 AromaticContact CG-CD2 3.62Å; W480-Y498 HydrophobicContact CG-CD2 3.62Å; W480-Y498 HydrophobicContact CG-CE2 4.33Å; W480-Y498 AromaticContact CG-CG 3.61Å; W480-Y498 HydrophobicContact CG-CG 3.61Å; W480-Y498 AromaticContact NE1-CD2 3.66Å; W480-F499 HydrophobicContact CH2-CE1 4.07Å; W480-F499 HydrophobicContact CZ3-CD1 4.14Å; W480-F499 HydrophobicContact CZ3-CE1 4.02Å; W480-R500 PolarHBondContact O-NH1 3.06Å; W480-L503 HydrophobicContact CE3-CD2 4.08Å; W480-L503 HydrophobicContact CZ3-CD2 3.91Å; W480-L505 HydrophobicContact CH2-CD1 4.19Å; W480-L505 HydrophobicContact CZ3-CD1 4.22Å |
| 481 | A | 82.9 | Confident | 90.4 | Very high | 16 Ų | 16 | 27 Ų | 27 | 13% | 0.132 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -73.2 | 29.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | Y361 R419 M477 S478 | Y361-A481 HydrophobicContact CD2-CB 4.32Å; Y361-A481 HydrophobicContact CE2-CB 4.3Å; R419-A481 PolarHBondContact NE-O 3.04Å; R419-A481 PolarHBondContact NH2-O 3.02Å; M477-A481 PolarHBondContact O-N 2.98Å; S478-A481 PolarHBondContact O-N 3.2Å |
| 482 | A | 85.9 | Confident | 90.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -105.5 | 136.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | N417 R419 W480 M484 V485 R500 L503 | N417-A482 CarbonylContact O-C 3.15Å; N417-A482 VanDerWaalsContact O-C 3.23Å; N417-A482 VanDerWaalsContact O-CA 3.29Å; N417-A482 WeakPolarHBondContact O-CA 3.13Å; N417-A482 WeakPolarHBondContact O-CB 3.47Å; R419-A482 HydrophobicContact CB-CB 3.42Å; R419-A482 VanDerWaalsContact CB-CB 3.42Å; R419-A482 HydrophobicContact CG-CB 3.18Å; W480-A482 PolarHBondContact O-N 3.35Å; A482-M484 WeakPolarHBondContact CB-O 3.45Å; A482-M484 PolarHBondContact O-N 3.34Å; A482-V485 HydrophobicContact CB-CG2 3.86Å; A482-R500 VanDerWaalsContact O-CZ 3.3Å; A482-R500 PolarHBondContact O-NH1 2.61Å; A482-R500 PolarHBondContact O-NH2 2.91Å; A482-L503 WeakPolarHBondContact O-CD1 3.33Å |
| 483 | E | 87.8 | Confident | 90.3 | Very high | 104 Ų | 104 | 28.1 Ų | 28.1 | 49% | 0.486 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -47.6 | -45.6 | 166.5 | -70 | 170.6 | 156.9 | 0 | 0 | 111.6 | N417 L504 | N417-E483 HydrophobicContact CB-CB 3.52Å; N417-E483 HydrophobicContact CB-CG 3.39Å; N417-E483 WeakPolarHBondContact CB-OE2 3.16Å; N417-E483 PolarHBondContact ND2-OE1 3.5Å; N417-E483 PolarHBondContact ND2-OE2 3.43Å; N417-E483 PolarHBondContact O-N 3.07Å; E483-L504 WeakPolarHBondContact O-CB 3.33Å; E483-L504 PolarHBondContact O-N 3.46Å |
| 484 | M | 95.4 | Very high | 90.4 | Very high | 8 Ų | 8 | 34.3 Ų | 34.3 | 4% | 0.039 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 120.7 | 175.7 | -173.3 | 175.3 | 65.6 | 0 | 0 | 111.6 | N417 T418 R419 A482 L486 L504 V736 L739 A740 | N417-M484 PolarHBondContact O-N 3.03Å; T418-M484 WeakPolarHBondContact CA-O 2.86Å; T418-M484 HydrophobicContact CG2-CE 3.62Å; R419-M484 PolarHBondContact N-O 2.69Å; A482-M484 WeakPolarHBondContact CB-O 3.45Å; A482-M484 PolarHBondContact O-N 3.34Å; M484-L486 HydrophobicContact CE-CD2 4.06Å; M484-L486 HydrophobicContact CE-CG 4.41Å; M484-L486 HydrophobicContact CG-CD2 4.1Å; M484-L486 HydrophobicContact SD-CD2 4.03Å; M484-L504 WeakPolarHBondContact CA-O 3.31Å; M484-L504 HydrophobicContact CB-CD2 4.37Å; M484-L504 HydrophobicContact CG-CD2 4Å; M484-L504 HydrophobicContact CG-CG 4.2Å; M484-L504 HydrophobicContact SD-CD2 4.03Å; M484-V736 HydrophobicContact CE-CG1 4.08Å; M484-L739 HydrophobicContact SD-CB 3.8Å; M484-L739 HydrophobicContact SD-CD1 4.49Å; M484-A740 HydrophobicContact CE-CB 4.08Å |
| 485 | V | 96.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 123.7 | 173.6 | 173 | 0 | 0 | 0 | 0 | 109.8 | P421 W480 A482 K487 L503 L504 L505 F506 | P421-V485 HydrophobicContact CG-CG1 3.81Å; W480-V485 HydrophobicContact CD2-CG1 4.35Å; W480-V485 HydrophobicContact CE3-CG1 4.13Å; W480-V485 HydrophobicContact CE3-CG2 4.11Å; W480-V485 HydrophobicContact CH2-CG1 4.48Å; W480-V485 HydrophobicContact CZ3-CG1 4.2Å; A482-V485 HydrophobicContact CB-CG2 3.86Å; V485-K487 HydrophobicContact CG1-CD 4.3Å; V485-K487 HydrophobicContact CG1-CG 4.13Å; V485-L503 HydrophobicContact CB-CD1 3.9Å; V485-L503 HydrophobicContact CG2-CD1 3.52Å; V485-L504 PolarHBondContact N-O 2.92Å; V485-L505 HydrophobicContact CB-CD1 4.27Å; V485-L505 HydrophobicContact CG1-CD1 4.09Å; V485-F506 PolarHBondContact O-N 2.85Å |
| 486 | L | 97.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 119.8 | 174.9 | -56.6 | -178.4 | 0 | 0 | 0 | 109.6 | T418 R419 P421 A432 L433 M484 F506 V736 | T418-L486 HydrophobicContact CG2-CD1 4.35Å; R419-L486 PolarHBondContact O-N 2.75Å; P421-L486 WeakPolarHBondContact CD-O 3.37Å; A432-L486 HydrophobicContact CB-CB 3.85Å; L433-L486 HydrophobicContact CD1-CD1 4.39Å; L433-L486 HydrophobicContact CD2-CD1 4.32Å; M484-L486 HydrophobicContact CE-CD2 4.06Å; M484-L486 HydrophobicContact CE-CG 4.41Å; M484-L486 HydrophobicContact CG-CD2 4.1Å; M484-L486 HydrophobicContact SD-CD2 4.03Å; L486-F506 HydrophobicContact CD2-CB 4.09Å; L486-F506 HydrophobicContact CD2-CD1 3.94Å; L486-V736 HydrophobicContact CD1-CG1 3.85Å; L486-V736 HydrophobicContact CD1-CG2 4.18Å; L486-V736 HydrophobicContact CD2-CG1 4.47Å; L486-V736 HydrophobicContact CD2-CG2 4.03Å |
| 487 | K | 97.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -127.9 | 163.2 | 175.7 | -84.1 | 178.1 | 62.6 | 71.2 | 0 | 111.1 | P421 E423 W480 V485 K489 E495 L505 F506 T507 Y531 | P421-K487 HydrophobicContact CG-CD 3.88Å; P421-K487 HydrophobicContact CG-CG 3.52Å; E423-K487 WeakPolarHBondContact OE1-CB 3.43Å; E423-K487 IonicContact OE1-NZ 3.37Å; E423-K487 PolarHBondContact OE1-NZ 3.07Å; E423-K487 IonicContact OE2-NZ 2.62Å; E423-K487 PolarHBondContact OE2-NZ 3.19Å; W480-K487 HydrophobicContact CH2-CD 3.67Å; W480-K487 HydrophobicContact CZ2-CD 3.35Å; V485-K487 HydrophobicContact CG1-CD 4.3Å; V485-K487 HydrophobicContact CG1-CG 4.13Å; K487-K489 VanDerWaalsContact CE-O 3.29Å; K487-K489 WeakPolarHBondContact CE-O 3.33Å; K487-E495 WeakPolarHBondContact CE-OE1 3.29Å; K487-E495 IonicContact NZ-OE1 2.7Å; K487-E495 PolarHBondContact NZ-OE1 3.08Å; K487-E495 IonicContact NZ-OE2 3.42Å; K487-L505 HydrophobicContact CD-CD1 4.45Å; K487-F506 PolarHBondContact N-O 3.39Å; K487-T507 VanDerWaalsContact C-OG1 3.22Å; K487-T507 HydrophobicContact CB-CG2 4.44Å; K487-T507 VanDerWaalsContact CB-OG1 3.26Å; K487-T507 WeakPolarHBondContact CB-OG1 3.47Å; K487-T507 PolarHBondContact O-OG1 3.44Å; K487-Y531 WeakPolarHBondContact O-CE2 3.49Å; K487-Y531 PolarHBondContact O-OH 3.12Å | ||
| 488 | V | 96.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -87 | -55.8 | 168.3 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | E423 R430 A432 T507 Y508 L728 | E423-V488 HydrophobicContact CG-CB 4.05Å; E423-V488 HydrophobicContact CG-CG2 4.17Å; E423-V488 WeakPolarHBondContact OE1-CA 3.47Å; E423-V488 PolarHBondContact OE1-N 3.34Å; R430-V488 HydrophobicContact CB-CG1 4.16Å; R430-V488 HydrophobicContact CB-CG2 3.93Å; R430-V488 VanDerWaalsContact CZ-CG1 3.47Å; A432-V488 HydrophobicContact CB-CG2 4.29Å; V488-T507 VanDerWaalsContact C-OG1 3.23Å; V488-T507 PolarHBondContact O-OG1 3.25Å; V488-Y508 WeakPolarHBondContact O-CB 3.29Å; V488-Y508 WeakPolarHBondContact O-CD2 3.42Å; V488-Y508 PolarHBondContact O-N 3.43Å; V488-L728 HydrophobicContact CG1-CD2 4.02Å; V488-L728 HydrophobicContact CG2-CD2 4.2Å |
| 489 | K | 94.6 | Very high | 92.8 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 2% | 0.022 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -105.3 | 168.8 | -173.1 | -66.7 | -60.7 | -71.1 | 138.7 | 0 | 112.9 | E423 K425 E428 K487 T507 Y508 H510 | E423-K489 PolarHBondContact OE1-N 3.06Å; K425-K489 HydrophobicContact CD-CB 4.31Å; K425-K489 HydrophobicContact CD-CG 4.25Å; E428-K489 HydrophobicContact CG-CG 3.93Å; E428-K489 VanDerWaalsContact OE2-CG 3.3Å; E428-K489 WeakPolarHBondContact OE2-CG 3.38Å; K487-K489 VanDerWaalsContact CE-O 3.29Å; K487-K489 WeakPolarHBondContact CE-O 3.33Å; K489-T507 PolarHBondContact N-OG1 3.42Å; K489-T507 PolarHBondContact O-OG1 2.94Å; K489-Y508 CarbonylContact C-O 3.6Å; K489-H510 PolarHBondContact NZ-CD2 3.25Å; K489-H510 VanDerWaalsContact NZ-CD2 3.3Å; K489-H510 PolarHBondContact NZ-NE2 2.89Å |
| 490 | E | 94.1 | Very high | 93.1 | Very high | 18 Ų | 18 | 35.2 Ų | 35.2 | 8% | 0.084 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 142.7 | 178 | 71.5 | -75.5 | 177.7 | 0 | 0 | 110.3 | K425 L492 Y508 L509 H510 L517 | K425-E490 IonicContact NZ-OE1 3.99Å; K425-E490 PolarHBondContact NZ-OE1 2.81Å; K425-E490 IonicContact NZ-OE2 3.66Å; E490-L492 PolarHBondContact O-N 3.27Å; E490-Y508 WeakPolarHBondContact CA-O 3.48Å; E490-Y508 WeakPolarHBondContact CB-O 3.49Å; E490-Y508 PolarHBondContact N-O 3.49Å; E490-L509 WeakPolarHBondContact CB-O 3.38Å; E490-H510 IonicContact OE2-CD2 3.17Å; E490-L517 HydrophobicContact CB-CD2 3.7Å; E490-L517 HydrophobicContact CG-CD2 4.17Å |
| 491 | P | 95.9 | Very high | 93 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 136.4 | 177.4 | -23 | 33.6 | 0 | 0 | 0 | 111.6 | W480 E495 Y496 F499 L505 L517 | W480-P491 HydrophobicContact CH2-CB 4.26Å; W480-P491 HydrophobicContact CH2-CG 4Å; P491-E495 VanDerWaalsContact CA-OE2 3.29Å; P491-E495 WeakPolarHBondContact CA-OE2 3.29Å; P491-E495 HydrophobicContact CB-CB 4.1Å; P491-Y496 HydrophobicContact CB-CD1 4.4Å; P491-Y496 HydrophobicContact CB-CE1 4.28Å; P491-Y496 WeakPolarHBondContact O-CE1 3.36Å; P491-F499 HydrophobicContact CB-CE1 3.85Å; P491-F499 HydrophobicContact CB-CZ 3.64Å; P491-F499 HydrophobicContact CG-CE1 3.82Å; P491-F499 HydrophobicContact CG-CZ 3.77Å; P491-L505 HydrophobicContact CG-CD2 3.68Å; P491-L517 HydrophobicContact CB-CD1 4.09Å; P491-L517 HydrophobicContact CG-CD1 4.19Å |
| 492 | L | 94.1 | Very high | 93.2 | Very high | 51 Ų | 51 | 45.4 Ų | 45.4 | 27% | 0.267 | 22% | 0.215 | S | C | . | . | P | Polyproline II helix | trans | -84.8 | 167.5 | 171.2 | -53.2 | -174.6 | 0 | 0 | 0 | 110.7 | I424 K425 E490 E494 E495 Y496 | I424-L492 HydrophobicContact CD1-CB 4.08Å; I424-L492 HydrophobicContact CD1-CD1 3.83Å; I424-L492 HydrophobicContact CD1-CG 4.15Å; I424-L492 HydrophobicContact CG1-CD1 3.8Å; I424-L492 HydrophobicContact CG1-CG 4.22Å; K425-L492 HydrophobicContact CB-CD1 4.46Å; E490-L492 PolarHBondContact O-N 3.27Å; L492-E494 PolarHBondContact O-N 3.1Å; L492-E494 VanDerWaalsContact O-N 3.09Å; L492-E495 PolarHBondContact N-OE2 3.22Å; L492-E495 WeakPolarHBondContact O-CB 3.39Å; L492-E495 PolarHBondContact O-N 3.45Å; L492-Y496 VanDerWaalsContact C-CE1 3.45Å; L492-Y496 WeakPolarHBondContact O-CD1 3.48Å; L492-Y496 WeakPolarHBondContact O-CE1 3.46Å; L492-Y496 PolarHBondContact O-N 3.38Å |
| 493 | A | 92.6 | Very high | 93.5 | Very high | 73 Ų | 73 | 45.4 Ų | 45.4 | 60% | 0.603 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -53.9 | -34.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E495 Y496 | A493-E495 VanDerWaalsContact C-N 3.25Å; A493-E495 PolarHBondContact O-N 3.08Å; A493-Y496 HydrophobicContact CB-CD2 4.44Å; A493-Y496 HydrophobicContact CB-CE2 4.14Å; A493-Y496 WeakPolarHBondContact O-CB 3.38Å; A493-Y496 PolarHBondContact O-N 3.43Å |
| 494 | E | 91.3 | Very high | 93.9 | Very high | 142 Ų | 142 | 41.3 Ų | 41.3 | 66% | 0.664 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -67.4 | -23.3 | 178 | -63.2 | 165.9 | -162.1 | 0 | 0 | 113.4 | L492 R497 | L492-E494 PolarHBondContact O-N 3.1Å; L492-E494 VanDerWaalsContact O-N 3.09Å; E494-R497 WeakPolarHBondContact O-CG 3.36Å; E494-R497 PolarHBondContact O-NE 2.92Å |
| 495 | E | 94.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 2% | 0.023 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -90.2 | -12.9 | 179.5 | -66.9 | 171.5 | 113.6 | 0 | 0 | 112.3 | I424 W480 K487 P491 L492 A493 R497 Y498 | I424-E495 VanDerWaalsContact CD1-CD 3.48Å; I424-E495 HydrophobicContact CD1-CG 3.56Å; I424-E495 HydrophobicContact CG1-CG 4.33Å; W480-E495 HydrophobicContact CH2-CB 4.48Å; W480-E495 HydrophobicContact CZ2-CB 3.9Å; W480-E495 HydrophobicContact CZ2-CG 4.13Å; W480-E495 WeakPolarHBondContact CZ2-OE1 3.5Å; K487-E495 WeakPolarHBondContact CE-OE1 3.29Å; K487-E495 IonicContact NZ-OE1 2.7Å; K487-E495 PolarHBondContact NZ-OE1 3.08Å; K487-E495 IonicContact NZ-OE2 3.42Å; P491-E495 VanDerWaalsContact CA-OE2 3.29Å; P491-E495 WeakPolarHBondContact CA-OE2 3.29Å; P491-E495 HydrophobicContact CB-CB 4.1Å; L492-E495 PolarHBondContact N-OE2 3.22Å; L492-E495 WeakPolarHBondContact O-CB 3.39Å; L492-E495 PolarHBondContact O-N 3.45Å; A493-E495 VanDerWaalsContact C-N 3.25Å; A493-E495 PolarHBondContact O-N 3.08Å; E495-R497 PolarHBondContact O-N 2.81Å; E495-R497 VanDerWaalsContact O-N 3.09Å; E495-Y498 HydrophobicContact CB-CD2 4.16Å; E495-Y498 HydrophobicContact CG-CD2 4.48Å; E495-Y498 WeakPolarHBondContact O-CB 3.29Å; E495-Y498 WeakPolarHBondContact O-CD2 3.46Å; E495-Y498 PolarHBondContact O-N 3.36Å |
| 496 | Y | 94.8 | Very high | 94.1 | Very high | 55 Ų | 55 | 40.9 Ų | 40.9 | 22% | 0.216 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -61.5 | -25.2 | -178 | -62.9 | -6 | 0 | 0 | 0 | 112.7 | P491 L492 A493 Y498 F499 L517 A520 | P491-Y496 HydrophobicContact CB-CD1 4.4Å; P491-Y496 HydrophobicContact CB-CE1 4.28Å; P491-Y496 WeakPolarHBondContact O-CE1 3.36Å; L492-Y496 VanDerWaalsContact C-CE1 3.45Å; L492-Y496 WeakPolarHBondContact O-CD1 3.48Å; L492-Y496 WeakPolarHBondContact O-CE1 3.46Å; L492-Y496 PolarHBondContact O-N 3.38Å; A493-Y496 HydrophobicContact CB-CD2 4.44Å; A493-Y496 HydrophobicContact CB-CE2 4.14Å; A493-Y496 WeakPolarHBondContact O-CB 3.38Å; A493-Y496 PolarHBondContact O-N 3.43Å; Y496-Y498 PolarHBondContact O-N 3.38Å; Y496-F499 HydrophobicContact CD1-CD2 4.45Å; Y496-F499 AromaticContact CD1-CE2 3.59Å; Y496-F499 HydrophobicContact CD1-CE2 3.59Å; Y496-F499 AromaticContact CD1-CZ 3.68Å; Y496-F499 HydrophobicContact CD1-CZ 3.68Å; Y496-F499 HydrophobicContact CE1-CE2 4.27Å; Y496-F499 HydrophobicContact CE1-CZ 4.25Å; Y496-F499 HydrophobicContact CG-CE2 4.06Å; Y496-F499 WeakPolarHBondContact O-CB 3.37Å; Y496-F499 WeakPolarHBondContact O-CG 3.47Å; Y496-F499 PolarHBondContact O-N 3.18Å; Y496-F499 VanDerWaalsContact O-N 3.15Å; Y496-L517 HydrophobicContact CD1-CD1 4.37Å; Y496-L517 HydrophobicContact CE1-CB 4.5Å; Y496-L517 HydrophobicContact CE1-CD1 3.59Å; Y496-L517 WeakPolarHBondContact OH-CA 3.46Å; Y496-L517 WeakPolarHBondContact OH-CB 3.44Å; Y496-L517 PolarHBondContact OH-N 2.73Å; Y496-A520 HydrophobicContact CD1-CB 4.22Å; Y496-A520 HydrophobicContact CD2-CB 3.53Å; Y496-A520 HydrophobicContact CE1-CB 4.46Å; Y496-A520 HydrophobicContact CE2-CB 3.79Å; Y496-A520 HydrophobicContact CG-CB 3.79Å |
| 497 | R | 91.6 | Very high | 94.1 | Very high | 164 Ų | 164 | 40.8 Ų | 40.8 | 62% | 0.619 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -62.2 | -17.8 | 175.4 | 70.2 | -175.5 | 178.2 | -173.7 | -3.7 | 113.9 | E494 E495 | E494-R497 WeakPolarHBondContact O-CG 3.36Å; E494-R497 PolarHBondContact O-NE 2.92Å; E495-R497 PolarHBondContact O-N 2.81Å; E495-R497 VanDerWaalsContact O-N 3.09Å |
| 498 | Y | 90.1 | Very high | 94 | Very high | 38 Ų | 38 | 41 Ų | 41 | 15% | 0.149 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -92.6 | -6.1 | 179.5 | -57.6 | -54.3 | 0 | 0 | 0 | 113.4 | A476 M477 W480 E495 Y496 | A476-Y498 HydrophobicContact CB-CE2 4.26Å; M477-Y498 HydrophobicContact CB-CE1 3.9Å; M477-Y498 HydrophobicContact CG-CE1 4.28Å; W480-Y498 HydrophobicContact CB-CD1 4.02Å; W480-Y498 HydrophobicContact CB-CD2 4.23Å; W480-Y498 HydrophobicContact CB-CG 3.73Å; W480-Y498 AromaticContact CD1-CD2 3.53Å; W480-Y498 AromaticContact CD1-CE2 3.84Å; W480-Y498 AromaticContact CD1-CG 3.95Å; W480-Y498 AromaticContact CD2-CD2 3.84Å; W480-Y498 HydrophobicContact CD2-CD2 3.84Å; W480-Y498 AromaticContact CD2-CG 3.96Å; W480-Y498 HydrophobicContact CD2-CG 3.96Å; W480-Y498 AromaticContact CE2-CD2 3.85Å; W480-Y498 HydrophobicContact CG-CD1 4.3Å; W480-Y498 AromaticContact CG-CD2 3.62Å; W480-Y498 HydrophobicContact CG-CD2 3.62Å; W480-Y498 HydrophobicContact CG-CE2 4.33Å; W480-Y498 AromaticContact CG-CG 3.61Å; W480-Y498 HydrophobicContact CG-CG 3.61Å; W480-Y498 AromaticContact NE1-CD2 3.66Å; E495-Y498 HydrophobicContact CB-CD2 4.16Å; E495-Y498 HydrophobicContact CG-CD2 4.48Å; E495-Y498 WeakPolarHBondContact O-CB 3.29Å; E495-Y498 WeakPolarHBondContact O-CD2 3.46Å; E495-Y498 PolarHBondContact O-N 3.36Å; Y496-Y498 PolarHBondContact O-N 3.38Å |
| 499 | F | 95.4 | Very high | 93.9 | Very high | 22 Ų | 22 | 41 Ų | 41 | 10% | 0.096 | 20% | 0.195 | C | C | . | . | trans | -70.7 | 139.3 | 179.6 | -66.4 | -11.8 | 0 | 0 | 0 | 111.6 | W480 P491 Y496 L503 L517 A520 L521 A524 V526 | W480-F499 HydrophobicContact CH2-CE1 4.07Å; W480-F499 HydrophobicContact CZ3-CD1 4.14Å; W480-F499 HydrophobicContact CZ3-CE1 4.02Å; P491-F499 HydrophobicContact CB-CE1 3.85Å; P491-F499 HydrophobicContact CB-CZ 3.64Å; P491-F499 HydrophobicContact CG-CE1 3.82Å; P491-F499 HydrophobicContact CG-CZ 3.77Å; Y496-F499 HydrophobicContact CD1-CD2 4.45Å; Y496-F499 AromaticContact CD1-CE2 3.59Å; Y496-F499 HydrophobicContact CD1-CE2 3.59Å; Y496-F499 AromaticContact CD1-CZ 3.68Å; Y496-F499 HydrophobicContact CD1-CZ 3.68Å; Y496-F499 HydrophobicContact CE1-CE2 4.27Å; Y496-F499 HydrophobicContact CE1-CZ 4.25Å; Y496-F499 HydrophobicContact CG-CE2 4.06Å; Y496-F499 WeakPolarHBondContact O-CB 3.37Å; Y496-F499 WeakPolarHBondContact O-CG 3.47Å; Y496-F499 PolarHBondContact O-N 3.18Å; Y496-F499 VanDerWaalsContact O-N 3.15Å; F499-L503 HydrophobicContact CD1-CD2 4.46Å; F499-L517 HydrophobicContact CE2-CD1 4.2Å; F499-L517 HydrophobicContact CZ-CD1 3.91Å; F499-A520 HydrophobicContact CD2-CB 4.16Å; F499-A520 HydrophobicContact CE2-CB 3.82Å; F499-L521 HydrophobicContact CD2-CD2 4.22Å; F499-L521 HydrophobicContact CE1-CD2 4.12Å; F499-L521 HydrophobicContact CE2-CD2 3.67Å; F499-L521 HydrophobicContact CE2-CG 3.99Å; F499-L521 HydrophobicContact CZ-CD2 3.6Å; F499-L521 HydrophobicContact CZ-CG 4.23Å; F499-A524 HydrophobicContact CB-CB 3.39Å; F499-A524 HydrophobicContact CD2-CB 4.26Å; F499-A524 HydrophobicContact CG-CB 4.31Å; F499-V526 HydrophobicContact CB-CG2 3.64Å; F499-V526 HydrophobicContact CD1-CG2 4.25Å; F499-V526 HydrophobicContact CD2-CG2 4.37Å; F499-V526 HydrophobicContact CG-CG2 3.87Å | ||
| 500 | R | 93.3 | Very high | 93.7 | Very high | 33 Ų | 33 | 41.4 Ų | 41.4 | 13% | 0.125 | 20% | 0.196 | C | C | . | . | trans | -152.4 | 160.7 | 179.9 | 56.6 | -178.5 | -153.8 | -55.8 | -25.9 | 109.9 | W480 A482 D502 L503 A524 V526 | W480-R500 PolarHBondContact O-NH1 3.06Å; A482-R500 VanDerWaalsContact O-CZ 3.3Å; A482-R500 PolarHBondContact O-NH1 2.61Å; A482-R500 PolarHBondContact O-NH2 2.91Å; R500-D502 VanDerWaalsContact C-N 3.31Å; R500-D502 WeakPolarHBondContact CB-OD1 3.24Å; R500-D502 WeakPolarHBondContact CD-OD1 3.3Å; R500-D502 WeakPolarHBondContact CG-OD1 3.34Å; R500-D502 IonicContact CZ-OD2 2.72Å; R500-D502 IonicContact NE-OD1 3.36Å; R500-D502 PolarHBondContact NE-OD1 2.71Å; R500-D502 IonicContact NE-OD2 3.34Å; R500-D502 PolarHBondContact NE-OD2 3.03Å; R500-D502 IonicContact NH2-OD2 3.48Å; R500-D502 PolarHBondContact NH2-OD2 3.17Å; R500-D502 VanDerWaalsContact NH2-OD2 3.08Å; R500-D502 PolarHBondContact O-N 3.4Å; R500-L503 HydrophobicContact CG-CB 3.81Å; R500-L503 WeakPolarHBondContact O-CB 3.5Å; R500-L503 PolarHBondContact O-N 3.07Å; R500-A524 CarbonylContact C-O 3.59Å; R500-V526 WeakPolarHBondContact O-CG2 3.43Å | ||
| 501 | K | 90.1 | Very high | 93.7 | Very high | 141 Ų | 141 | 40.6 Ų | 40.6 | 61% | 0.613 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -27.6 | -167.6 | -170.4 | 178.7 | 178.2 | -174.4 | 0 | 113.8 | A524 | K501-A524 WeakPolarHBondContact CA-O 3.34Å; K501-A524 PolarHBondContact N-O 3.08Å |
| 502 | D | 85.9 | Confident | 93.4 | Very high | 92 Ų | 92 | 40.9 Ų | 40.9 | 49% | 0.492 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -2.9 | 179.3 | 63.5 | -61.4 | 0 | 0 | 0 | 113.4 | R500 L504 | R500-D502 VanDerWaalsContact C-N 3.31Å; R500-D502 WeakPolarHBondContact CB-OD1 3.24Å; R500-D502 WeakPolarHBondContact CD-OD1 3.3Å; R500-D502 WeakPolarHBondContact CG-OD1 3.34Å; R500-D502 IonicContact CZ-OD2 2.72Å; R500-D502 IonicContact NE-OD1 3.36Å; R500-D502 PolarHBondContact NE-OD1 2.71Å; R500-D502 IonicContact NE-OD2 3.34Å; R500-D502 PolarHBondContact NE-OD2 3.03Å; R500-D502 IonicContact NH2-OD2 3.48Å; R500-D502 PolarHBondContact NH2-OD2 3.17Å; R500-D502 VanDerWaalsContact NH2-OD2 3.08Å; R500-D502 PolarHBondContact O-N 3.4Å; D502-L504 PolarHBondContact O-N 3.48Å |
| 503 | L | 93.7 | Very high | 93 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -77.2 | 124 | -175.6 | 175.1 | 58 | 0 | 0 | 0 | 112.1 | W480 A482 V485 F499 R500 L505 V526 H527 | W480-L503 HydrophobicContact CE3-CD2 4.08Å; W480-L503 HydrophobicContact CZ3-CD2 3.91Å; A482-L503 WeakPolarHBondContact O-CD1 3.33Å; V485-L503 HydrophobicContact CB-CD1 3.9Å; V485-L503 HydrophobicContact CG2-CD1 3.52Å; F499-L503 HydrophobicContact CD1-CD2 4.46Å; R500-L503 HydrophobicContact CG-CB 3.81Å; R500-L503 WeakPolarHBondContact O-CB 3.5Å; R500-L503 PolarHBondContact O-N 3.07Å; L503-L505 HydrophobicContact CG-CB 4.42Å; L503-V526 HydrophobicContact CB-CG1 4.34Å; L503-V526 HydrophobicContact CD2-CG1 4.24Å; L503-V526 HydrophobicContact CD2-CG2 4.45Å; L503-V526 HydrophobicContact CG-CG1 4.18Å; L503-H527 WeakPolarHBondContact O-CB 3.38Å; L503-H527 PolarHBondContact O-N 2.68Å | ||
| 504 | L | 96.7 | Very high | 92.9 | Very high | 17 Ų | 17 | 39.2 Ų | 39.2 | 9% | 0.089 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 108 | 158.8 | 177.5 | 61.3 | 0 | 0 | 0 | 110.3 | E483 M484 V485 D502 H527 I529 L739 L744 | E483-L504 WeakPolarHBondContact O-CB 3.33Å; E483-L504 PolarHBondContact O-N 3.46Å; M484-L504 WeakPolarHBondContact CA-O 3.31Å; M484-L504 HydrophobicContact CB-CD2 4.37Å; M484-L504 HydrophobicContact CG-CD2 4Å; M484-L504 HydrophobicContact CG-CG 4.2Å; M484-L504 HydrophobicContact SD-CD2 4.03Å; V485-L504 PolarHBondContact N-O 2.92Å; D502-L504 PolarHBondContact O-N 3.48Å; L504-H527 CarbonylContact C-O 3.52Å; L504-H527 VanDerWaalsContact CA-O 3.3Å; L504-H527 WeakPolarHBondContact CA-O 3.43Å; L504-H527 HydrophobicContact CD1-CB 4.39Å; L504-I529 HydrophobicContact CD1-CD1 4.02Å; L504-I529 HydrophobicContact CD1-CG1 4.19Å; L504-L739 HydrophobicContact CD2-CB 4.14Å; L504-L739 HydrophobicContact CD2-CD2 3.98Å; L504-L739 HydrophobicContact CD2-CG 4.44Å; L504-L744 HydrophobicContact CD1-CD1 4.21Å; L504-L744 HydrophobicContact CD1-CD2 4.3Å; L504-L744 HydrophobicContact CD2-CD1 4.47Å |
| 505 | L | 98 | Very high | 93 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 120.4 | 174.7 | 177.8 | 64.4 | 0 | 0 | 0 | 110.3 | W480 V485 K487 P491 L503 T507 L509 L521 V526 H527 S528 I529 | W480-L505 HydrophobicContact CH2-CD1 4.19Å; W480-L505 HydrophobicContact CZ3-CD1 4.22Å; V485-L505 HydrophobicContact CB-CD1 4.27Å; V485-L505 HydrophobicContact CG1-CD1 4.09Å; K487-L505 HydrophobicContact CD-CD1 4.45Å; P491-L505 HydrophobicContact CG-CD2 3.68Å; L503-L505 HydrophobicContact CG-CB 4.42Å; L505-T507 HydrophobicContact CD1-CG2 3.96Å; L505-T507 HydrophobicContact CD2-CG2 4.08Å; L505-T507 HydrophobicContact CG-CG2 3.84Å; L505-L509 HydrophobicContact CD2-CD2 4.1Å; L505-L521 HydrophobicContact CD2-CD2 4.05Å; L505-V526 HydrophobicContact CB-CG1 3.93Å; L505-H527 PolarHBondContact N-O 3.37Å; L505-S528 WeakPolarHBondContact O-CA 3.27Å; L505-I529 PolarHBondContact O-N 3.42Å |
| 506 | F | 98.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 102.6 | 178.5 | -170.1 | -141.3 | 0 | 0 | 0 | 110.4 | V485 L486 K487 I529 Y531 V534 L543 V736 L739 | V485-F506 PolarHBondContact O-N 2.85Å; L486-F506 HydrophobicContact CD2-CB 4.09Å; L486-F506 HydrophobicContact CD2-CD1 3.94Å; K487-F506 PolarHBondContact N-O 3.39Å; F506-I529 HydrophobicContact CD2-CB 3.77Å; F506-I529 HydrophobicContact CD2-CG2 3.69Å; F506-I529 WeakPolarHBondContact CD2-O 3.39Å; F506-I529 HydrophobicContact CE2-CB 4.26Å; F506-I529 HydrophobicContact CE2-CG2 3.65Å; F506-Y531 VanDerWaalsContact C-CE1 3.42Å; F506-Y531 HydrophobicContact CB-CE1 4.28Å; F506-Y531 HydrophobicContact CD1-CD1 4.48Å; F506-Y531 AromaticContact CD1-CE1 3.62Å; F506-Y531 HydrophobicContact CD1-CE1 3.62Å; F506-Y531 AromaticContact CD2-CD1 3.63Å; F506-Y531 HydrophobicContact CD2-CD1 3.63Å; F506-Y531 AromaticContact CD2-CE1 3.43Å; F506-Y531 HydrophobicContact CD2-CE1 3.43Å; F506-Y531 VanDerWaalsContact CD2-CE1 3.43Å; F506-Y531 HydrophobicContact CE1-CD1 4.26Å; F506-Y531 AromaticContact CE1-CE1 3.67Å; F506-Y531 HydrophobicContact CE1-CE1 3.67Å; F506-Y531 AromaticContact CE2-CD1 3.38Å; F506-Y531 HydrophobicContact CE2-CD1 3.38Å; F506-Y531 AromaticContact CE2-CE1 3.5Å; F506-Y531 HydrophobicContact CE2-CE1 3.5Å; F506-Y531 HydrophobicContact CG-CD1 4.18Å; F506-Y531 AromaticContact CG-CE1 3.49Å; F506-Y531 HydrophobicContact CG-CE1 3.49Å; F506-Y531 VanDerWaalsContact CG-CE1 3.49Å; F506-Y531 AromaticContact CZ-CD1 3.72Å; F506-Y531 HydrophobicContact CZ-CD1 3.72Å; F506-Y531 AromaticContact CZ-CE1 3.61Å; F506-Y531 HydrophobicContact CZ-CE1 3.61Å; F506-Y531 WeakPolarHBondContact O-CE1 3.34Å; F506-Y531 VanDerWaalsContact O-CZ 3.3Å; F506-Y531 PolarHBondContact O-OH 2.9Å; F506-V534 HydrophobicContact CE2-CG2 4.2Å; F506-L543 HydrophobicContact CE2-CD1 4.1Å; F506-L543 HydrophobicContact CZ-CD1 3.68Å; F506-V736 HydrophobicContact CD1-CG2 4.03Å; F506-V736 HydrophobicContact CE1-CG2 3.85Å; F506-L739 HydrophobicContact CB-CD1 4.36Å; F506-L739 HydrophobicContact CD1-CD1 3.55Å; F506-L739 HydrophobicContact CD2-CD1 4.15Å; F506-L739 HydrophobicContact CE1-CD1 3.79Å; F506-L739 HydrophobicContact CE2-CD1 4.34Å; F506-L739 HydrophobicContact CG-CD1 3.77Å; F506-L739 HydrophobicContact CZ-CD1 4.19Å |
| 507 | T | 97.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 175.9 | -171.3 | -170.2 | 0 | 0 | 0 | 0 | 112 | K487 V488 K489 L505 L509 I529 A530 Y531 | K487-T507 VanDerWaalsContact C-OG1 3.22Å; K487-T507 HydrophobicContact CB-CG2 4.44Å; K487-T507 VanDerWaalsContact CB-OG1 3.26Å; K487-T507 WeakPolarHBondContact CB-OG1 3.47Å; K487-T507 PolarHBondContact O-OG1 3.44Å; V488-T507 VanDerWaalsContact C-OG1 3.23Å; V488-T507 PolarHBondContact O-OG1 3.25Å; K489-T507 PolarHBondContact N-OG1 3.42Å; K489-T507 PolarHBondContact O-OG1 2.94Å; L505-T507 HydrophobicContact CD1-CG2 3.96Å; L505-T507 HydrophobicContact CD2-CG2 4.08Å; L505-T507 HydrophobicContact CG-CG2 3.84Å; T507-L509 HydrophobicContact CG2-CD2 3.57Å; T507-L509 HydrophobicContact CG2-CG 4.17Å; T507-I529 PolarHBondContact N-O 3.18Å; T507-A530 CarbonylContact O-C 3.54Å; T507-A530 VanDerWaalsContact O-CA 3.3Å; T507-A530 WeakPolarHBondContact O-CA 3.27Å; T507-Y531 VanDerWaalsContact CA-CZ 3.5Å; T507-Y531 PolarHBondContact O-N 2.92Å |
| 508 | Y | 95.4 | Very high | 93.4 | Very high | 5 Ų | 5 | 29.4 Ų | 29.4 | 2% | 0.02 | 15% | 0.153 | C | C | . | . | trans | -72.6 | 133.8 | 161.2 | -70.8 | -66.6 | 0 | 0 | 0 | 110.5 | V488 K489 E490 Y531 E532 L543 L544 M547 L728 | V488-Y508 WeakPolarHBondContact O-CB 3.29Å; V488-Y508 WeakPolarHBondContact O-CD2 3.42Å; V488-Y508 PolarHBondContact O-N 3.43Å; K489-Y508 CarbonylContact C-O 3.6Å; E490-Y508 WeakPolarHBondContact CA-O 3.48Å; E490-Y508 WeakPolarHBondContact CB-O 3.49Å; E490-Y508 PolarHBondContact N-O 3.49Å; Y508-Y531 HydrophobicContact CD1-CD2 4.19Å; Y508-Y531 HydrophobicContact CD1-CG 4.35Å; Y508-Y531 AromaticContact CD2-CD2 3.76Å; Y508-Y531 HydrophobicContact CD2-CD2 3.76Å; Y508-Y531 VanDerWaalsContact CE1-CB 3.44Å; Y508-Y531 HydrophobicContact CE1-CD2 4.22Å; Y508-Y531 HydrophobicContact CE1-CG 4.36Å; Y508-Y531 AromaticContact CE2-CD2 3.8Å; Y508-Y531 HydrophobicContact CE2-CD2 3.8Å; Y508-Y531 AromaticContact CG-CD2 3.92Å; Y508-Y531 HydrophobicContact CG-CD2 3.92Å; Y508-Y531 HydrophobicContact CG-CG 4.45Å; Y508-E532 VanDerWaalsContact CA-OE2 3.3Å; Y508-E532 WeakPolarHBondContact CA-OE2 3.5Å; Y508-E532 HydrophobicContact CD1-CB 4.03Å; Y508-E532 WeakPolarHBondContact CD1-OE2 3.38Å; Y508-E532 HydrophobicContact CE1-CB 4.24Å; Y508-L543 PolarHBondContact OH-O 3.02Å; Y508-L544 HydrophobicContact CD1-CD1 4.48Å; Y508-L544 HydrophobicContact CE1-CD1 3.72Å; Y508-M547 HydrophobicContact CE2-CG 3.77Å; Y508-M547 WeakPolarHBondContact OH-CG 3.15Å; Y508-L728 HydrophobicContact CE2-CD1 3.97Å; Y508-L728 HydrophobicContact CE2-CD2 4.37Å | ||
| 509 | L | 94.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -115.3 | -40.2 | -175.6 | -69.4 | 179 | 0 | 0 | 0 | 114.7 | E490 L505 T507 L511 L521 A530 E532 N759 | E490-L509 WeakPolarHBondContact CB-O 3.38Å; L505-L509 HydrophobicContact CD2-CD2 4.1Å; T507-L509 HydrophobicContact CG2-CD2 3.57Å; T507-L509 HydrophobicContact CG2-CG 4.17Å; L509-L511 VanDerWaalsContact C-N 3.28Å; L509-L511 HydrophobicContact CB-CD2 3.81Å; L509-L511 HydrophobicContact CB-CG 3.83Å; L509-L511 HydrophobicContact CD1-CD1 4.32Å; L509-L511 HydrophobicContact CD1-CD2 4.41Å; L509-L511 HydrophobicContact CD1-CG 4.26Å; L509-L511 PolarHBondContact O-N 2.9Å; L509-L521 HydrophobicContact CD2-CD1 4.31Å; L509-A530 HydrophobicContact CB-CB 4.09Å; L509-A530 HydrophobicContact CD1-CB 3.84Å; L509-A530 HydrophobicContact CG-CB 4.02Å; L509-E532 PolarHBondContact N-OE1 3.27Å; L509-E532 PolarHBondContact N-OE2 3.44Å; L509-N759 HydrophobicContact CD1-CB 3.85Å | ||
| 510 | H | 90.4 | Very high | 93.9 | Very high | 12 Ų | 12 | 33 Ų | 33 | 6% | 0.056 | 17% | 0.173 | C | C | . | . | trans | 52.1 | 42.5 | -176.9 | -50.5 | -81.1 | 0 | 0 | 0 | 113.2 | K489 E490 A512 A513 E532 D684 Q685 | K489-H510 PolarHBondContact NZ-CD2 3.25Å; K489-H510 VanDerWaalsContact NZ-CD2 3.3Å; K489-H510 PolarHBondContact NZ-NE2 2.89Å; E490-H510 IonicContact OE2-CD2 3.17Å; H510-A512 VanDerWaalsContact C-N 3.27Å; H510-A512 PolarHBondContact O-N 3.33Å; H510-A513 PolarHBondContact O-N 3.47Å; H510-A513 VanDerWaalsContact O-N 3.11Å; H510-E532 WeakPolarHBondContact CA-OE1 3.44Å; H510-E532 PolarHBondContact N-OE1 3.19Å; H510-D684 IonicContact CE1-OD2 3.05Å; H510-D684 PolarHBondContact CE1-OD2 2.68Å; H510-D684 IonicContact ND1-OD2 2.65Å; H510-D684 IonicContact NE2-OD2 3.16Å; H510-Q685 PolarHBondContact ND1-NE2 2.99Å | ||
| 511 | L | 94 | Very high | 94.1 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -59 | -34.2 | -170.3 | -65.3 | -166.3 | 0 | 0 | 0 | 113.5 | L509 A513 N514 L517 T518 L521 N759 T760 L765 V770 L774 | L509-L511 VanDerWaalsContact C-N 3.28Å; L509-L511 HydrophobicContact CB-CD2 3.81Å; L509-L511 HydrophobicContact CB-CG 3.83Å; L509-L511 HydrophobicContact CD1-CD1 4.32Å; L509-L511 HydrophobicContact CD1-CD2 4.41Å; L509-L511 HydrophobicContact CD1-CG 4.26Å; L509-L511 PolarHBondContact O-N 2.9Å; L511-A513 PolarHBondContact O-N 3.3Å; L511-N514 PolarHBondContact O-N 3.07Å; L511-L517 HydrophobicContact CD2-CD2 3.77Å; L511-L517 HydrophobicContact CD2-CG 3.89Å; L511-T518 HydrophobicContact CD1-CG2 4.4Å; L511-L521 HydrophobicContact CD1-CD1 4.36Å; L511-L521 HydrophobicContact CD2-CD1 3.88Å; L511-N759 HydrophobicContact CD1-CB 3.88Å; L511-N759 WeakPolarHBondContact CD1-OD1 3.42Å; L511-T760 HydrophobicContact CD1-CG2 4.31Å; L511-L765 HydrophobicContact CD1-CD1 4.33Å; L511-V770 HydrophobicContact CB-CG1 3.59Å; L511-V770 HydrophobicContact CB-CG2 4.17Å; L511-L774 WeakPolarHBondContact O-CD1 3.2Å |
| 512 | A | 90 | Very high | 94.4 | Very high | 7 Ų | 7 | 26.3 Ų | 26.3 | 6% | 0.058 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -55.8 | -26.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | H510 V770 D773 L774 | H510-A512 VanDerWaalsContact C-N 3.27Å; H510-A512 PolarHBondContact O-N 3.33Å; A512-V770 HydrophobicContact CB-CG2 4.2Å; A512-D773 HydrophobicContact CB-CB 4.37Å; A512-L774 WeakPolarHBondContact O-CD2 3.5Å |
| 513 | A | 85.1 | Confident | 94.9 | Very high | 53 Ų | 53 | 31.1 Ų | 31.1 | 44% | 0.438 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -102.9 | 1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H510 L511 | H510-A513 PolarHBondContact O-N 3.47Å; H510-A513 VanDerWaalsContact O-N 3.11Å; L511-A513 PolarHBondContact O-N 3.3Å |
| 514 | N | 90.1 | Very high | 95 | Very high | 35 Ų | 35 | 32.4 Ų | 32.4 | 19% | 0.187 | 17% | 0.173 | C | C | . | . | trans | -136.5 | 69.3 | -168.3 | -163.3 | -15.4 | 0 | 0 | 0 | 113.7 | L511 P516 L517 T518 | L511-N514 PolarHBondContact O-N 3.07Å; N514-P516 VanDerWaalsContact C-CD 3.47Å; N514-P516 WeakPolarHBondContact OD1-CD 3.4Å; N514-L517 HydrophobicContact CB-CB 4.18Å; N514-L517 WeakPolarHBondContact ND2-CB 3.41Å; N514-L517 PolarHBondContact O-N 2.87Å; N514-L517 WeakPolarHBondContact OD1-CB 3.38Å; N514-L517 PolarHBondContact OD1-N 3.27Å; N514-T518 PolarHBondContact O-N 3.24Å; N514-T518 VanDerWaalsContact O-N 3.08Å; N514-T518 PolarHBondContact O-OG1 3.23Å; N514-T518 VanDerWaalsContact O-OG1 3.08Å | ||
| 515 | K | 93.9 | Very high | 95 | Very high | 77 Ų | 77 | 31.9 Ų | 31.9 | 34% | 0.335 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -52.9 | -41.5 | 177.5 | -162.1 | 164 | -178.5 | 159.3 | 0 | 114.3 | T518 K519 L774 | K515-T518 PolarHBondContact O-N 3.21Å; K515-K519 WeakPolarHBondContact O-CG 3.23Å; K515-K519 PolarHBondContact O-N 3.25Å; K515-L774 HydrophobicContact CB-CD1 4.45Å; K515-L774 HydrophobicContact CB-CD2 3.94Å; K515-L774 VanDerWaalsContact CE-O 3.27Å; K515-L774 WeakPolarHBondContact CE-O 3.45Å; K515-L774 HydrophobicContact CG-CD2 4.42Å; K515-L774 PolarHBondContact NZ-O 3.35Å |
| 516 | P | 96 | Very high | 94.9 | Very high | 84 Ų | 84 | 31.9 Ų | 31.9 | 55% | 0.545 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59.8 | -47.9 | 177.1 | -26.1 | 36.3 | 0 | 0 | 0 | 113.5 | N514 K519 A520 | N514-P516 VanDerWaalsContact C-CD 3.47Å; N514-P516 WeakPolarHBondContact OD1-CD 3.4Å; P516-K519 PolarHBondContact O-N 3.19Å; P516-A520 PolarHBondContact O-N 2.95Å |
| 517 | L | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61 | -46.7 | 176.7 | 172.8 | 61.1 | 0 | 0 | 0 | 111.4 | E490 P491 Y496 F499 L511 N514 K519 A520 L521 | E490-L517 HydrophobicContact CB-CD2 3.7Å; E490-L517 HydrophobicContact CG-CD2 4.17Å; P491-L517 HydrophobicContact CB-CD1 4.09Å; P491-L517 HydrophobicContact CG-CD1 4.19Å; Y496-L517 HydrophobicContact CD1-CD1 4.37Å; Y496-L517 HydrophobicContact CE1-CB 4.5Å; Y496-L517 HydrophobicContact CE1-CD1 3.59Å; Y496-L517 WeakPolarHBondContact OH-CA 3.46Å; Y496-L517 WeakPolarHBondContact OH-CB 3.44Å; Y496-L517 PolarHBondContact OH-N 2.73Å; F499-L517 HydrophobicContact CE2-CD1 4.2Å; F499-L517 HydrophobicContact CZ-CD1 3.91Å; L511-L517 HydrophobicContact CD2-CD2 3.77Å; L511-L517 HydrophobicContact CD2-CG 3.89Å; N514-L517 HydrophobicContact CB-CB 4.18Å; N514-L517 WeakPolarHBondContact ND2-CB 3.41Å; N514-L517 PolarHBondContact O-N 2.87Å; N514-L517 WeakPolarHBondContact OD1-CB 3.38Å; N514-L517 PolarHBondContact OD1-N 3.27Å; L517-K519 VanDerWaalsContact C-N 3.28Å; L517-K519 PolarHBondContact O-N 3.41Å; L517-A520 PolarHBondContact O-N 3.37Å; L517-L521 HydrophobicContact CD1-CD1 3.99Å; L517-L521 HydrophobicContact CD1-CG 3.96Å; L517-L521 HydrophobicContact CG-CD1 3.98Å; L517-L521 HydrophobicContact CG-CG 4.4Å; L517-L521 WeakPolarHBondContact O-CG 3.38Å; L517-L521 PolarHBondContact O-N 3.43Å |
| 518 | T | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.4 | -46.4 | 178.4 | -54.3 | 0 | 0 | 0 | 0 | 110.9 | L511 N514 K515 A520 L521 L522 L765 L774 L776 | L511-T518 HydrophobicContact CD1-CG2 4.4Å; N514-T518 PolarHBondContact O-N 3.24Å; N514-T518 VanDerWaalsContact O-N 3.08Å; N514-T518 PolarHBondContact O-OG1 3.23Å; N514-T518 VanDerWaalsContact O-OG1 3.08Å; K515-T518 PolarHBondContact O-N 3.21Å; T518-A520 PolarHBondContact O-N 3.18Å; T518-L521 PolarHBondContact O-N 3.19Å; T518-L522 HydrophobicContact CG2-CD1 4.01Å; T518-L522 HydrophobicContact CG2-CG 4.48Å; T518-L522 WeakPolarHBondContact O-CG 3.44Å; T518-L522 PolarHBondContact O-N 2.89Å; T518-L765 HydrophobicContact CG2-CD1 4.17Å; T518-L765 HydrophobicContact CG2-CD2 4.36Å; T518-L774 HydrophobicContact CG2-CD1 3.88Å; T518-L774 VanDerWaalsContact OG1-CD1 3.3Å; T518-L774 WeakPolarHBondContact OG1-CD1 3.45Å; T518-L776 HydrophobicContact CG2-CD1 3.65Å |
| 519 | K | 97.3 | Very high | 95 | Very high | 119 Ų | 119 | 32.9 Ų | 32.9 | 52% | 0.517 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.3 | -39.2 | 177 | -75.3 | -176.2 | 172.8 | -173.5 | 0 | 112.8 | K515 P516 L517 K523 | K515-K519 WeakPolarHBondContact O-CG 3.23Å; K515-K519 PolarHBondContact O-N 3.25Å; P516-K519 PolarHBondContact O-N 3.19Å; L517-K519 VanDerWaalsContact C-N 3.28Å; L517-K519 PolarHBondContact O-N 3.41Å; K519-K523 VanDerWaalsContact O-CB 3.26Å; K519-K523 WeakPolarHBondContact O-CB 3.29Å; K519-K523 PolarHBondContact O-N 2.84Å |
| 520 | A | 97.2 | Very high | 95.1 | Very high | 17 Ų | 17 | 32.9 Ų | 32.9 | 14% | 0.14 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.4 | -45.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y496 F499 P516 L517 T518 K523 A524 | Y496-A520 HydrophobicContact CD1-CB 4.22Å; Y496-A520 HydrophobicContact CD2-CB 3.53Å; Y496-A520 HydrophobicContact CE1-CB 4.46Å; Y496-A520 HydrophobicContact CE2-CB 3.79Å; Y496-A520 HydrophobicContact CG-CB 3.79Å; F499-A520 HydrophobicContact CD2-CB 4.16Å; F499-A520 HydrophobicContact CE2-CB 3.82Å; P516-A520 PolarHBondContact O-N 2.95Å; L517-A520 PolarHBondContact O-N 3.37Å; T518-A520 PolarHBondContact O-N 3.18Å; A520-K523 PolarHBondContact O-N 3.19Å; A520-A524 WeakPolarHBondContact O-CB 3.33Å; A520-A524 PolarHBondContact O-N 3.5Å |
| 521 | L | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.6 | -46.6 | 175.8 | -70 | 169.7 | 0 | 0 | 0 | 111.7 | F499 L505 L509 L511 L517 T518 A524 G525 V526 T760 | F499-L521 HydrophobicContact CD2-CD2 4.22Å; F499-L521 HydrophobicContact CE1-CD2 4.12Å; F499-L521 HydrophobicContact CE2-CD2 3.67Å; F499-L521 HydrophobicContact CE2-CG 3.99Å; F499-L521 HydrophobicContact CZ-CD2 3.6Å; F499-L521 HydrophobicContact CZ-CG 4.23Å; L505-L521 HydrophobicContact CD2-CD2 4.05Å; L509-L521 HydrophobicContact CD2-CD1 4.31Å; L511-L521 HydrophobicContact CD1-CD1 4.36Å; L511-L521 HydrophobicContact CD2-CD1 3.88Å; L517-L521 HydrophobicContact CD1-CD1 3.99Å; L517-L521 HydrophobicContact CD1-CG 3.96Å; L517-L521 HydrophobicContact CG-CD1 3.98Å; L517-L521 HydrophobicContact CG-CG 4.4Å; L517-L521 WeakPolarHBondContact O-CG 3.38Å; L517-L521 PolarHBondContact O-N 3.43Å; T518-L521 PolarHBondContact O-N 3.19Å; L521-A524 PolarHBondContact O-N 2.9Å; L521-G525 PolarHBondContact O-N 3.3Å; L521-V526 HydrophobicContact CD2-CB 3.91Å; L521-V526 HydrophobicContact CD2-CG1 3.87Å; L521-V526 HydrophobicContact CD2-CG2 4.23Å; L521-V526 PolarHBondContact O-N 3.04Å; L521-T760 HydrophobicContact CB-CG2 3.99Å; L521-T760 HydrophobicContact CD1-CG2 4.4Å |
| 522 | L | 97 | Very high | 95.4 | Very high | 33 Ų | 33 | 32.6 Ų | 32.6 | 17% | 0.173 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.5 | -44.6 | 178.5 | -65.4 | 172.3 | 0 | 0 | 0 | 111.7 | T518 A524 G525 T760 G763 L765 L776 | T518-L522 HydrophobicContact CG2-CD1 4.01Å; T518-L522 HydrophobicContact CG2-CG 4.48Å; T518-L522 WeakPolarHBondContact O-CG 3.44Å; T518-L522 PolarHBondContact O-N 2.89Å; L522-A524 VanDerWaalsContact C-N 3.34Å; L522-A524 PolarHBondContact O-N 3.13Å; L522-G525 PolarHBondContact O-N 3.15Å; L522-T760 HydrophobicContact CD2-CG2 3.88Å; L522-T760 HydrophobicContact CG-CG2 4.4Å; L522-G763 WeakPolarHBondContact CD2-O 3.41Å; L522-G763 WeakPolarHBondContact O-CA 3.41Å; L522-L765 HydrophobicContact CD1-CB 4.4Å; L522-L765 HydrophobicContact CD2-CB 4.01Å; L522-L776 HydrophobicContact CD1-CD1 4.45Å |
| 523 | K | 96.6 | Very high | 95.6 | Very high | 192 Ų | 192 | 33.1 Ų | 33.1 | 84% | 0.835 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -61.3 | -42.4 | 179.1 | -177.3 | -175.8 | 176.4 | -169.4 | 0 | 112 | K519 A520 G525 | K519-K523 VanDerWaalsContact O-CB 3.26Å; K519-K523 WeakPolarHBondContact O-CB 3.29Å; K519-K523 PolarHBondContact O-N 2.84Å; A520-K523 PolarHBondContact O-N 3.19Å; K523-G525 VanDerWaalsContact C-N 3.29Å |
| 524 | A | 96 | Very high | 96.1 | Very high | 27 Ų | 27 | 30.6 Ų | 30.6 | 22% | 0.223 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -79.9 | -11.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F499 R500 K501 A520 L521 L522 V526 | F499-A524 HydrophobicContact CB-CB 3.39Å; F499-A524 HydrophobicContact CD2-CB 4.26Å; F499-A524 HydrophobicContact CG-CB 4.31Å; R500-A524 CarbonylContact C-O 3.59Å; K501-A524 WeakPolarHBondContact CA-O 3.34Å; K501-A524 PolarHBondContact N-O 3.08Å; A520-A524 WeakPolarHBondContact O-CB 3.33Å; A520-A524 PolarHBondContact O-N 3.5Å; L521-A524 PolarHBondContact O-N 2.9Å; L522-A524 VanDerWaalsContact C-N 3.34Å; L522-A524 PolarHBondContact O-N 3.13Å; A524-V526 VanDerWaalsContact C-N 3.31Å; A524-V526 HydrophobicContact CB-CG2 3.94Å |
| 525 | G | 95.8 | Very high | 96.3 | Very high | 7 Ų | 7 | 31 Ų | 31 | 7% | 0.072 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 17.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114.4 | L521 L522 K523 H527 | L521-G525 PolarHBondContact O-N 3.3Å; L522-G525 PolarHBondContact O-N 3.15Å; K523-G525 VanDerWaalsContact C-N 3.29Å; G525-H527 PolarHBondContact O-CD2 2.87Å |
| 526 | V | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -61 | 140.4 | -176.5 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | F499 R500 L503 L505 L521 A524 T760 | F499-V526 HydrophobicContact CB-CG2 3.64Å; F499-V526 HydrophobicContact CD1-CG2 4.25Å; F499-V526 HydrophobicContact CD2-CG2 4.37Å; F499-V526 HydrophobicContact CG-CG2 3.87Å; R500-V526 WeakPolarHBondContact O-CG2 3.43Å; L503-V526 HydrophobicContact CB-CG1 4.34Å; L503-V526 HydrophobicContact CD2-CG1 4.24Å; L503-V526 HydrophobicContact CD2-CG2 4.45Å; L503-V526 HydrophobicContact CG-CG1 4.18Å; L505-V526 HydrophobicContact CB-CG1 3.93Å; L521-V526 HydrophobicContact CD2-CB 3.91Å; L521-V526 HydrophobicContact CD2-CG1 3.87Å; L521-V526 HydrophobicContact CD2-CG2 4.23Å; L521-V526 PolarHBondContact O-N 3.04Å; A524-V526 VanDerWaalsContact C-N 3.31Å; A524-V526 HydrophobicContact CB-CG2 3.94Å; V526-T760 CarbonylContact O-C 3.04Å; V526-T760 PolarHBondContact O-OG1 2.96Å | ||
| 527 | H | 96.8 | Very high | 96.2 | Very high | 26 Ų | 26 | 28.6 Ų | 28.6 | 12% | 0.12 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 105.9 | 169.3 | -57.7 | 173.3 | 0 | 0 | 0 | 107.7 | L503 L504 L505 G525 L744 T760 Y761 N762 | L503-H527 WeakPolarHBondContact O-CB 3.38Å; L503-H527 PolarHBondContact O-N 2.68Å; L504-H527 CarbonylContact C-O 3.52Å; L504-H527 VanDerWaalsContact CA-O 3.3Å; L504-H527 WeakPolarHBondContact CA-O 3.43Å; L504-H527 HydrophobicContact CD1-CB 4.39Å; L505-H527 PolarHBondContact N-O 3.37Å; G525-H527 PolarHBondContact O-CD2 2.87Å; H527-L744 HydrophobicContact CB-CD2 4.05Å; H527-L744 WeakPolarHBondContact ND1-CD2 3.43Å; H527-T760 CarbonylContact C-O 3.43Å; H527-T760 WeakPolarHBondContact CA-O 3.38Å; H527-Y761 HydrophobicContact CB-CD2 4.48Å; H527-Y761 AromaticContact CD2-CD2 3.81Å; H527-Y761 AromaticContact CE1-CE2 3.73Å; H527-Y761 AromaticContact CG-CD2 3.85Å; H527-Y761 AromaticContact ND1-CE2 3.83Å; H527-Y761 AromaticContact NE2-CE2 3.9Å; H527-N762 PolarHBondContact NE2-OD1 3.38Å |
| 528 | S | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 130.5 | -176.5 | 70.9 | 0 | 0 | 0 | 0 | 111.7 | L505 N759 T760 | L505-S528 WeakPolarHBondContact O-CA 3.27Å; S528-N759 PolarHBondContact O-N 2.82Å; S528-T760 WeakPolarHBondContact CB-OG1 3.35Å; S528-T760 PolarHBondContact N-O 3.1Å; S528-T760 PolarHBondContact N-OG1 2.83Å; S528-T760 PolarHBondContact O-N 3.42Å; S528-T760 WeakPolarHBondContact OG-CB 3.47Å; S528-T760 PolarHBondContact OG-N 3.46Å; S528-T760 PolarHBondContact OG-OG1 3.49Å |
| 529 | I | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 123.1 | 173.2 | -59.8 | 179.6 | 0 | 0 | 0 | 107.4 | L504 L505 F506 T507 V534 L739 L744 L748 L754 G757 L758 | L504-I529 HydrophobicContact CD1-CD1 4.02Å; L504-I529 HydrophobicContact CD1-CG1 4.19Å; L505-I529 PolarHBondContact O-N 3.42Å; F506-I529 HydrophobicContact CD2-CB 3.77Å; F506-I529 HydrophobicContact CD2-CG2 3.69Å; F506-I529 WeakPolarHBondContact CD2-O 3.39Å; F506-I529 HydrophobicContact CE2-CB 4.26Å; F506-I529 HydrophobicContact CE2-CG2 3.65Å; T507-I529 PolarHBondContact N-O 3.18Å; I529-V534 HydrophobicContact CG2-CG2 4.05Å; I529-L739 HydrophobicContact CD1-CD1 4.37Å; I529-L739 HydrophobicContact CD1-CD2 3.63Å; I529-L744 HydrophobicContact CD1-CD1 4.28Å; I529-L748 HydrophobicContact CD1-CD2 4.31Å; I529-L754 HydrophobicContact CD1-CD2 4.4Å; I529-L754 HydrophobicContact CG2-CD2 4.24Å; I529-G757 WeakPolarHBondContact CA-O 3.46Å; I529-L758 HydrophobicContact CG1-CD1 4.02Å |
| 530 | A | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 127.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T507 L509 E532 N533 V534 G757 N759 | T507-A530 CarbonylContact O-C 3.54Å; T507-A530 VanDerWaalsContact O-CA 3.3Å; T507-A530 WeakPolarHBondContact O-CA 3.27Å; L509-A530 HydrophobicContact CB-CB 4.09Å; L509-A530 HydrophobicContact CD1-CB 3.84Å; L509-A530 HydrophobicContact CG-CB 4.02Å; A530-E532 VanDerWaalsContact C-N 3.25Å; A530-E532 WeakPolarHBondContact CB-OE2 3.19Å; A530-E532 PolarHBondContact O-N 3.25Å; A530-N533 HydrophobicContact CB-CB 4.26Å; A530-N533 WeakPolarHBondContact CB-OD1 3.36Å; A530-N533 PolarHBondContact O-N 3.12Å; A530-N533 VanDerWaalsContact O-N 3.08Å; A530-V534 PolarHBondContact O-N 3.23Å; A530-G757 PolarHBondContact N-O 3.35Å; A530-N759 WeakPolarHBondContact CB-ND2 3.43Å |
| 531 | Y | 96.8 | Very high | 95 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -53 | -45 | 177 | -67.7 | -13.1 | 0 | 0 | 0 | 111.9 | K487 F506 T507 Y508 N533 V534 L543 L728 T732 | K487-Y531 WeakPolarHBondContact O-CE2 3.49Å; K487-Y531 PolarHBondContact O-OH 3.12Å; F506-Y531 VanDerWaalsContact C-CE1 3.42Å; F506-Y531 HydrophobicContact CB-CE1 4.28Å; F506-Y531 HydrophobicContact CD1-CD1 4.48Å; F506-Y531 AromaticContact CD1-CE1 3.62Å; F506-Y531 HydrophobicContact CD1-CE1 3.62Å; F506-Y531 AromaticContact CD2-CD1 3.63Å; F506-Y531 HydrophobicContact CD2-CD1 3.63Å; F506-Y531 AromaticContact CD2-CE1 3.43Å; F506-Y531 HydrophobicContact CD2-CE1 3.43Å; F506-Y531 VanDerWaalsContact CD2-CE1 3.43Å; F506-Y531 HydrophobicContact CE1-CD1 4.26Å; F506-Y531 AromaticContact CE1-CE1 3.67Å; F506-Y531 HydrophobicContact CE1-CE1 3.67Å; F506-Y531 AromaticContact CE2-CD1 3.38Å; F506-Y531 HydrophobicContact CE2-CD1 3.38Å; F506-Y531 AromaticContact CE2-CE1 3.5Å; F506-Y531 HydrophobicContact CE2-CE1 3.5Å; F506-Y531 HydrophobicContact CG-CD1 4.18Å; F506-Y531 AromaticContact CG-CE1 3.49Å; F506-Y531 HydrophobicContact CG-CE1 3.49Å; F506-Y531 VanDerWaalsContact CG-CE1 3.49Å; F506-Y531 AromaticContact CZ-CD1 3.72Å; F506-Y531 HydrophobicContact CZ-CD1 3.72Å; F506-Y531 AromaticContact CZ-CE1 3.61Å; F506-Y531 HydrophobicContact CZ-CE1 3.61Å; F506-Y531 WeakPolarHBondContact O-CE1 3.34Å; F506-Y531 VanDerWaalsContact O-CZ 3.3Å; F506-Y531 PolarHBondContact O-OH 2.9Å; T507-Y531 VanDerWaalsContact CA-CZ 3.5Å; T507-Y531 PolarHBondContact O-N 2.92Å; Y508-Y531 HydrophobicContact CD1-CD2 4.19Å; Y508-Y531 HydrophobicContact CD1-CG 4.35Å; Y508-Y531 AromaticContact CD2-CD2 3.76Å; Y508-Y531 HydrophobicContact CD2-CD2 3.76Å; Y508-Y531 VanDerWaalsContact CE1-CB 3.44Å; Y508-Y531 HydrophobicContact CE1-CD2 4.22Å; Y508-Y531 HydrophobicContact CE1-CG 4.36Å; Y508-Y531 AromaticContact CE2-CD2 3.8Å; Y508-Y531 HydrophobicContact CE2-CD2 3.8Å; Y508-Y531 AromaticContact CG-CD2 3.92Å; Y508-Y531 HydrophobicContact CG-CD2 3.92Å; Y508-Y531 HydrophobicContact CG-CG 4.45Å; Y531-N533 PolarHBondContact O-N 2.7Å; Y531-V534 PolarHBondContact O-N 3.42Å; Y531-L543 HydrophobicContact CD1-CD1 4.05Å; Y531-L543 HydrophobicContact CG-CD1 4.45Å; Y531-L543 WeakPolarHBondContact O-CB 2.95Å; Y531-L728 HydrophobicContact CD2-CD1 4.18Å; Y531-L728 HydrophobicContact CE2-CD1 4.32Å; Y531-L728 HydrophobicContact CE2-CD2 4.29Å; Y531-T732 HydrophobicContact CD1-CG2 4.44Å; Y531-T732 HydrophobicContact CE1-CG2 4.16Å; Y531-T732 HydrophobicContact CE2-CG2 4.25Å |
| 532 | E | 93.1 | Very high | 94.9 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -69.4 | -9.2 | -177.9 | 72.3 | -81.6 | -161.5 | 0 | 0 | 115 | Y508 L509 H510 A530 L544 | Y508-E532 VanDerWaalsContact CA-OE2 3.3Å; Y508-E532 WeakPolarHBondContact CA-OE2 3.5Å; Y508-E532 HydrophobicContact CD1-CB 4.03Å; Y508-E532 WeakPolarHBondContact CD1-OE2 3.38Å; Y508-E532 HydrophobicContact CE1-CB 4.24Å; L509-E532 PolarHBondContact N-OE1 3.27Å; L509-E532 PolarHBondContact N-OE2 3.44Å; H510-E532 WeakPolarHBondContact CA-OE1 3.44Å; H510-E532 PolarHBondContact N-OE1 3.19Å; A530-E532 VanDerWaalsContact C-N 3.25Å; A530-E532 WeakPolarHBondContact CB-OE2 3.19Å; A530-E532 PolarHBondContact O-N 3.25Å; E532-L544 HydrophobicContact CB-CD1 4.19Å; E532-L544 HydrophobicContact CB-CD2 4.21Å |
| 533 | N | 94.4 | Very high | 94.8 | Very high | 18 Ų | 18 | 35.7 Ų | 35.7 | 10% | 0.096 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -110.9 | -8.2 | 177.5 | -61.8 | 128.2 | 0 | 0 | 0 | 113.7 | A530 Y531 Q535 R756 G757 N759 | A530-N533 HydrophobicContact CB-CB 4.26Å; A530-N533 WeakPolarHBondContact CB-OD1 3.36Å; A530-N533 PolarHBondContact O-N 3.12Å; A530-N533 VanDerWaalsContact O-N 3.08Å; Y531-N533 PolarHBondContact O-N 2.7Å; N533-Q535 PolarHBondContact O-N 3.03Å; N533-Q535 VanDerWaalsContact O-N 3.09Å; N533-R756 CarbonylContact O-C 3.59Å; N533-G757 PolarHBondContact O-N 2.87Å; N533-N759 PolarHBondContact OD1-ND2 2.87Å |
| 534 | V | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -63.5 | 114.8 | 172.2 | 175 | 0 | 0 | 0 | 0 | 108.6 | F506 I529 A530 Y531 P542 L543 Y735 A753 L754 | F506-V534 HydrophobicContact CE2-CG2 4.2Å; I529-V534 HydrophobicContact CG2-CG2 4.05Å; A530-V534 PolarHBondContact O-N 3.23Å; Y531-V534 PolarHBondContact O-N 3.42Å; V534-P542 WeakPolarHBondContact O-CD 3.32Å; V534-L543 HydrophobicContact CB-CD1 3.71Å; V534-L543 HydrophobicContact CB-CG 4.12Å; V534-L543 HydrophobicContact CG1-CD1 3.99Å; V534-L543 HydrophobicContact CG1-CG 4.23Å; V534-L543 HydrophobicContact CG2-CD1 3.64Å; V534-Y735 HydrophobicContact CG1-CD1 3.95Å; V534-Y735 HydrophobicContact CG1-CE1 3.43Å; V534-Y735 VanDerWaalsContact CG1-CE1 3.43Å; V534-Y735 HydrophobicContact CG1-CE2 4.29Å; V534-A753 HydrophobicContact CG1-CB 4.04Å; V534-L754 HydrophobicContact CG2-CD2 4.42Å | ||
| 535 | Q | 95 | Very high | 94.6 | Very high | 42 Ų | 42 | 27.5 Ų | 27.5 | 20% | 0.196 | 17% | 0.168 | C | C | . | . | trans | -142.4 | 111.2 | -168.4 | -176.6 | 177.2 | 57 | 0 | 0 | 111.9 | N533 N539 S540 L541 A753 R756 | N533-Q535 PolarHBondContact O-N 3.03Å; N533-Q535 VanDerWaalsContact O-N 3.09Å; Q535-N539 HydrophobicContact CG-CB 4.47Å; Q535-N539 PolarHBondContact NE2-O 2.83Å; Q535-S540 WeakPolarHBondContact CA-O 3.32Å; Q535-S540 WeakPolarHBondContact CG-O 3.33Å; Q535-L541 HydrophobicContact CB-CD2 4Å; Q535-L541 HydrophobicContact CG-CD2 4.21Å; Q535-A753 PolarHBondContact N-O 3.22Å; Q535-A753 WeakPolarHBondContact O-CA 3.34Å; Q535-R756 HydrophobicContact CB-CB 4.34Å; Q535-R756 WeakPolarHBondContact O-CD 3.49Å | ||
| 536 | P | 93.7 | Very high | 94.5 | Very high | 32 Ų | 32 | 27.9 Ų | 27.9 | 21% | 0.208 | 17% | 0.169 | C | C | . | . | trans | -69.2 | -179.9 | 176.8 | -9.9 | 25.4 | 0 | 0 | 0 | 112.7 | D538 N539 S540 P542 R756 | P536-D538 WeakPolarHBondContact CB-OD1 3.37Å; P536-D538 PolarHBondContact O-N 3.19Å; P536-N539 PolarHBondContact O-N 2.64Å; P536-S540 WeakPolarHBondContact CD-O 3.34Å; P536-P542 HydrophobicContact CG-CG 4.12Å; P536-R756 PolarHBondContact O-NH1 3.41Å | ||
| 537 | A | 92.7 | Very high | 94.4 | Very high | 79 Ų | 79 | 28.3 Ų | 28.3 | 65% | 0.653 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -23.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | N539 L752 | A537-N539 PolarHBondContact O-N 3Å; A537-L752 HydrophobicContact CB-CD2 4.21Å |
| 538 | D | 91.5 | Very high | 94.4 | Very high | 114 Ų | 114 | 27.8 Ų | 27.8 | 61% | 0.61 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -1.7 | 175.6 | 72 | -10.8 | 0 | 0 | 0 | 113.5 | P536 S540 | P536-D538 WeakPolarHBondContact CB-OD1 3.37Å; P536-D538 PolarHBondContact O-N 3.19Å; D538-S540 VanDerWaalsContact CG-OG 3.3Å; D538-S540 PolarHBondContact O-N 3.46Å; D538-S540 VanDerWaalsContact OD1-CB 3.29Å; D538-S540 WeakPolarHBondContact OD1-CB 3.43Å; D538-S540 PolarHBondContact OD1-N 3.2Å; D538-S540 PolarHBondContact OD1-OG 3.16Å; D538-S540 PolarHBondContact OD2-OG 3.3Å |
| 539 | N | 87.8 | Confident | 94.3 | Very high | 95 Ų | 95 | 31.6 Ų | 31.6 | 51% | 0.508 | 19% | 0.188 | S | C | . | . | trans | 64.3 | 14.2 | -177.2 | -53.5 | -54 | 0 | 0 | 0 | 115.3 | Q535 P536 A537 R756 | Q535-N539 HydrophobicContact CG-CB 4.47Å; Q535-N539 PolarHBondContact NE2-O 2.83Å; P536-N539 PolarHBondContact O-N 2.64Å; A537-N539 PolarHBondContact O-N 3Å; N539-R756 PolarHBondContact OD1-NH1 3.01Å; N539-R756 VanDerWaalsContact OD1-NH1 3.14Å | ||
| 540 | S | 91.2 | Very high | 94.3 | Very high | 45 Ų | 45 | 32.4 Ų | 32.4 | 32% | 0.315 | 19% | 0.193 | S | C | . | . | trans | -67.7 | 159.5 | 171.3 | 67.5 | 0 | 0 | 0 | 0 | 111.9 | Q535 P536 D538 P542 | Q535-S540 WeakPolarHBondContact CA-O 3.32Å; Q535-S540 WeakPolarHBondContact CG-O 3.33Å; P536-S540 WeakPolarHBondContact CD-O 3.34Å; D538-S540 VanDerWaalsContact CG-OG 3.3Å; D538-S540 PolarHBondContact O-N 3.46Å; D538-S540 VanDerWaalsContact OD1-CB 3.29Å; D538-S540 WeakPolarHBondContact OD1-CB 3.43Å; D538-S540 PolarHBondContact OD1-N 3.2Å; D538-S540 PolarHBondContact OD1-OG 3.16Å; D538-S540 PolarHBondContact OD2-OG 3.3Å; S540-P542 VanDerWaalsContact C-CD 3.48Å; S540-P542 VanDerWaalsContact O-CD 3.29Å; S540-P542 WeakPolarHBondContact O-CD 3.06Å | ||
| 541 | L | 93.7 | Very high | 94.2 | Very high | 30 Ų | 30 | 32.8 Ų | 32.8 | 16% | 0.157 | 20% | 0.196 | C | C | . | . | trans | -115.6 | 75.6 | 174.4 | -63.4 | 177 | 0 | 0 | 0 | 109.2 | Q535 L543 L544 A545 L654 P656 | Q535-L541 HydrophobicContact CB-CD2 4Å; Q535-L541 HydrophobicContact CG-CD2 4.21Å; L541-L543 VanDerWaalsContact C-N 3.26Å; L541-L543 PolarHBondContact O-N 2.84Å; L541-L544 HydrophobicContact CB-CB 3.94Å; L541-L544 HydrophobicContact CD1-CD2 3.83Å; L541-L544 PolarHBondContact O-N 2.91Å; L541-L544 VanDerWaalsContact O-N 3.12Å; L541-A545 WeakPolarHBondContact O-CB 3.48Å; L541-A545 PolarHBondContact O-N 3.45Å; L541-L654 HydrophobicContact CD1-CD2 4.46Å; L541-P656 HydrophobicContact CD1-CB 4.25Å; L541-P656 HydrophobicContact CD1-CG 4.03Å | ||
| 542 | P | 94.9 | Very high | 94.2 | Very high | 35 Ų | 35 | 32.8 Ų | 32.8 | 23% | 0.227 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -33.3 | -168 | 23.2 | -34.9 | 0 | 0 | 0 | 113.1 | V534 P536 S540 P546 Y735 | V534-P542 WeakPolarHBondContact O-CD 3.32Å; P536-P542 HydrophobicContact CG-CG 4.12Å; S540-P542 VanDerWaalsContact C-CD 3.48Å; S540-P542 VanDerWaalsContact O-CD 3.29Å; S540-P542 WeakPolarHBondContact O-CD 3.06Å; P542-P546 WeakPolarHBondContact O-CD 3.36Å; P542-Y735 HydrophobicContact CG-CE2 4.46Å; P542-Y735 WeakPolarHBondContact CG-OH 3.42Å |
| 543 | L | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -24.7 | -179.5 | -53.6 | -171.7 | 0 | 0 | 0 | 112.6 | F506 Y508 Y531 V534 L541 A731 T732 Y735 | F506-L543 HydrophobicContact CE2-CD1 4.1Å; F506-L543 HydrophobicContact CZ-CD1 3.68Å; Y508-L543 PolarHBondContact OH-O 3.02Å; Y531-L543 HydrophobicContact CD1-CD1 4.05Å; Y531-L543 HydrophobicContact CG-CD1 4.45Å; Y531-L543 WeakPolarHBondContact O-CB 2.95Å; V534-L543 HydrophobicContact CB-CD1 3.71Å; V534-L543 HydrophobicContact CB-CG 4.12Å; V534-L543 HydrophobicContact CG1-CD1 3.99Å; V534-L543 HydrophobicContact CG1-CG 4.23Å; V534-L543 HydrophobicContact CG2-CD1 3.64Å; L541-L543 VanDerWaalsContact C-N 3.26Å; L541-L543 PolarHBondContact O-N 2.84Å; L543-A731 VanDerWaalsContact CD2-C 3.41Å; L543-A731 HydrophobicContact CD2-CB 3.97Å; L543-A731 WeakPolarHBondContact CD2-O 3.5Å; L543-T732 HydrophobicContact CD1-CG2 4.44Å; L543-T732 HydrophobicContact CD2-CG2 4.01Å; L543-Y735 HydrophobicContact CD1-CD2 4.13Å; L543-Y735 HydrophobicContact CD1-CE2 4.47Å; L543-Y735 HydrophobicContact CD1-CG 4.43Å; L543-Y735 HydrophobicContact CD2-CD2 3.61Å; L543-Y735 HydrophobicContact CD2-CE2 3.66Å; L543-Y735 HydrophobicContact CG-CD2 4.23Å; L543-Y735 HydrophobicContact CG-CE2 4.18Å |
| 544 | L | 93.6 | Very high | 94.6 | Very high | 18 Ų | 18 | 37.2 Ų | 37.2 | 9% | 0.094 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -29.1 | 175.4 | -172.8 | 61.5 | 0 | 0 | 0 | 112.6 | Y508 E532 L541 M547 S548 L654 | Y508-L544 HydrophobicContact CD1-CD1 4.48Å; Y508-L544 HydrophobicContact CE1-CD1 3.72Å; E532-L544 HydrophobicContact CB-CD1 4.19Å; E532-L544 HydrophobicContact CB-CD2 4.21Å; L541-L544 HydrophobicContact CB-CB 3.94Å; L541-L544 HydrophobicContact CD1-CD2 3.83Å; L541-L544 PolarHBondContact O-N 2.91Å; L541-L544 VanDerWaalsContact O-N 3.12Å; L544-M547 PolarHBondContact O-N 3.46Å; L544-S548 WeakPolarHBondContact O-CB 3.24Å; L544-S548 PolarHBondContact O-N 3.28Å; L544-S548 PolarHBondContact O-OG 2.94Å; L544-L654 HydrophobicContact CD2-CD2 3.4Å |
| 545 | A | 93.4 | Very high | 94.7 | Very high | 28 Ų | 28 | 37.2 Ų | 37.2 | 23% | 0.231 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -50.1 | -53.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L541 M547 S548 E549 | L541-A545 WeakPolarHBondContact O-CB 3.48Å; L541-A545 PolarHBondContact O-N 3.45Å; A545-M547 VanDerWaalsContact C-N 3.3Å; A545-M547 PolarHBondContact O-N 3.42Å; A545-S548 CarbonylContact O-C 3.54Å; A545-S548 WeakPolarHBondContact O-CA 3.26Å; A545-S548 WeakPolarHBondContact O-CB 3.14Å; A545-S548 PolarHBondContact O-N 2.74Å; A545-S548 VanDerWaalsContact O-N 3.07Å; A545-E549 WeakPolarHBondContact O-CG 3.46Å; A545-E549 PolarHBondContact O-N 2.69Å |
| 546 | P | 94.7 | Very high | 94.9 | Very high | 15 Ų | 15 | 35.2 Ų | 35.2 | 10% | 0.097 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.4 | -38 | -177.7 | 23.4 | -34.5 | 0 | 0 | 0 | 112.6 | P542 E549 I550 A727 A731 | P542-P546 WeakPolarHBondContact O-CD 3.36Å; P546-E549 PolarHBondContact O-N 3.32Å; P546-I550 WeakPolarHBondContact O-CG1 3.45Å; P546-I550 PolarHBondContact O-N 3.28Å; P546-I550 VanDerWaalsContact O-N 3.1Å; P546-A727 HydrophobicContact CB-CB 3.98Å; P546-A731 HydrophobicContact CG-CB 3.91Å |
| 547 | M | 95.3 | Very high | 95.1 | Very high | 10 Ų | 10 | 38.9 Ų | 38.9 | 5% | 0.049 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.4 | -36.2 | 176.9 | -64.6 | -54.2 | 95.3 | 0 | 0 | 111.7 | R430 Y508 L544 A545 I550 A551 P717 A724 A727 L728 | R430-M547 PolarHBondContact NH1-SD 2.92Å; Y508-M547 HydrophobicContact CE2-CG 3.77Å; Y508-M547 WeakPolarHBondContact OH-CG 3.15Å; L544-M547 PolarHBondContact O-N 3.46Å; A545-M547 VanDerWaalsContact C-N 3.3Å; A545-M547 PolarHBondContact O-N 3.42Å; M547-I550 HydrophobicContact CE-CD1 3.84Å; M547-I550 PolarHBondContact O-N 3.07Å; M547-A551 VanDerWaalsContact O-CB 3.23Å; M547-A551 WeakPolarHBondContact O-CB 3.2Å; M547-A551 PolarHBondContact O-N 2.9Å; M547-P717 HydrophobicContact CB-CG 4.4Å; M547-P717 HydrophobicContact SD-CB 3.88Å; M547-P717 HydrophobicContact SD-CG 4.17Å; M547-A724 HydrophobicContact CE-CB 4.21Å; M547-A724 WeakPolarHBondContact CE-O 3.46Å; M547-A724 HydrophobicContact SD-CB 4.3Å; M547-A727 HydrophobicContact CE-CB 4.16Å; M547-L728 HydrophobicContact CE-CB 3.78Å; M547-L728 HydrophobicContact CG-CD1 4.39Å; M547-L728 HydrophobicContact SD-CB 4.41Å |
| 548 | S | 94.9 | Very high | 95.3 | Very high | 15 Ų | 15 | 36.3 Ų | 36.3 | 11% | 0.105 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.1 | -40 | 174.1 | -64.8 | 0 | 0 | 0 | 0 | 112.4 | L544 A545 G552 V593 | L544-S548 WeakPolarHBondContact O-CB 3.24Å; L544-S548 PolarHBondContact O-N 3.28Å; L544-S548 PolarHBondContact O-OG 2.94Å; A545-S548 CarbonylContact O-C 3.54Å; A545-S548 WeakPolarHBondContact O-CA 3.26Å; A545-S548 WeakPolarHBondContact O-CB 3.14Å; A545-S548 PolarHBondContact O-N 2.74Å; A545-S548 VanDerWaalsContact O-N 3.07Å; S548-G552 PolarHBondContact O-N 3.07Å; S548-V593 WeakPolarHBondContact O-CA 3.4Å |
| 549 | E | 96.9 | Very high | 95.5 | Very high | 79 Ų | 79 | 30.9 Ų | 30.9 | 37% | 0.369 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61.8 | -49.7 | 175.1 | -68.5 | -176.8 | 158 | 0 | 0 | 110.8 | A545 P546 G552 R553 V592 | A545-E549 WeakPolarHBondContact O-CG 3.46Å; A545-E549 PolarHBondContact O-N 2.69Å; P546-E549 PolarHBondContact O-N 3.32Å; E549-G552 PolarHBondContact O-N 2.91Å; E549-R553 VanDerWaalsContact O-CG 3.29Å; E549-R553 WeakPolarHBondContact O-CG 3.42Å; E549-R553 PolarHBondContact O-N 3.11Å; E549-V592 HydrophobicContact CB-CG1 4.42Å; E549-V592 HydrophobicContact CG-CG1 3.49Å; E549-V592 VanDerWaalsContact CG-CG1 3.49Å |
| 550 | I | 96.9 | Very high | 96 | Very high | 18 Ų | 18 | 27.6 Ų | 27.6 | 9% | 0.092 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.5 | -50.2 | 178.4 | -68.5 | 173.7 | 0 | 0 | 0 | 110.5 | P546 M547 G552 R553 M554 P717 V720 T723 A724 A727 | P546-I550 WeakPolarHBondContact O-CG1 3.45Å; P546-I550 PolarHBondContact O-N 3.28Å; P546-I550 VanDerWaalsContact O-N 3.1Å; M547-I550 HydrophobicContact CE-CD1 3.84Å; M547-I550 PolarHBondContact O-N 3.07Å; I550-G552 VanDerWaalsContact C-N 3.33Å; I550-G552 PolarHBondContact O-N 2.92Å; I550-R553 PolarHBondContact O-N 3.36Å; I550-M554 HydrophobicContact CG2-CG 4.16Å; I550-M554 HydrophobicContact CG2-SD 3.58Å; I550-M554 VanDerWaalsContact CG2-SD 3.58Å; I550-M554 WeakPolarHBondContact O-CB 3.3Å; I550-M554 VanDerWaalsContact O-CG 3.25Å; I550-M554 WeakPolarHBondContact O-CG 3.3Å; I550-M554 PolarHBondContact O-N 3.18Å; I550-P717 HydrophobicContact CG2-CB 3.86Å; I550-P717 HydrophobicContact CG2-CG 4.21Å; I550-V720 HydrophobicContact CG2-CG2 3.61Å; I550-T723 HydrophobicContact CD1-CG2 4.23Å; I550-A724 VanDerWaalsContact CD1-CA 3.49Å; I550-A724 HydrophobicContact CD1-CB 3.69Å; I550-A727 HydrophobicContact CD1-CB 3.96Å |
| 551 | A | 96.4 | Very high | 96.3 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 7% | 0.066 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.1 | -43 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | M547 M554 A555 V681 P717 | M547-A551 VanDerWaalsContact O-CB 3.23Å; M547-A551 WeakPolarHBondContact O-CB 3.2Å; M547-A551 PolarHBondContact O-N 2.9Å; A551-M554 PolarHBondContact O-N 2.95Å; A551-A555 WeakPolarHBondContact O-CB 3.39Å; A551-A555 PolarHBondContact O-N 3.22Å; A551-V681 HydrophobicContact CB-CG1 3.74Å; A551-P717 HydrophobicContact CB-CG 4.44Å |
| 552 | G | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.3 | -47.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | S548 E549 I550 M554 A555 V593 A597 | S548-G552 PolarHBondContact O-N 3.07Å; E549-G552 PolarHBondContact O-N 2.91Å; I550-G552 VanDerWaalsContact C-N 3.33Å; I550-G552 PolarHBondContact O-N 2.92Å; G552-M554 PolarHBondContact O-N 2.95Å; G552-A555 PolarHBondContact O-N 3.08Å; G552-V593 WeakPolarHBondContact CA-O 3.1Å; G552-A597 WeakPolarHBondContact O-CA 3.41Å; G552-A597 WeakPolarHBondContact O-CB 3.37Å; G552-A597 PolarHBondContact O-N 3.05Å |
| 553 | R | 98.1 | Very high | 96.6 | Very high | 105 Ų | 105 | 27 Ų | 27 | 40% | 0.396 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -62.6 | -43.5 | 178 | -67.6 | -179 | -167.4 | -173.9 | 10.8 | 111.9 | E549 I550 N596 I600 | E549-R553 VanDerWaalsContact O-CG 3.29Å; E549-R553 WeakPolarHBondContact O-CG 3.42Å; E549-R553 PolarHBondContact O-N 3.11Å; I550-R553 PolarHBondContact O-N 3.36Å; R553-N596 HydrophobicContact CG-CB 3.94Å; R553-N596 PolarHBondContact NE-OD1 2.9Å; R553-N596 PolarHBondContact NH2-OD1 2.79Å; R553-I600 HydrophobicContact CB-CD1 4.41Å; R553-I600 HydrophobicContact CB-CG1 3.75Å; R553-I600 HydrophobicContact CG-CD1 4.12Å; R553-I600 HydrophobicContact CG-CG1 3.69Å |
| 554 | M | 97.3 | Very high | 96.7 | Very high | 13 Ų | 13 | 31.5 Ų | 31.5 | 6% | 0.064 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66 | -37.8 | 177.7 | -70.4 | -179.2 | 74.9 | 0 | 0 | 112 | I550 A551 G552 A556 Q557 I558 M716 A719 V720 | I550-M554 HydrophobicContact CG2-CG 4.16Å; I550-M554 HydrophobicContact CG2-SD 3.58Å; I550-M554 VanDerWaalsContact CG2-SD 3.58Å; I550-M554 WeakPolarHBondContact O-CB 3.3Å; I550-M554 VanDerWaalsContact O-CG 3.25Å; I550-M554 WeakPolarHBondContact O-CG 3.3Å; I550-M554 PolarHBondContact O-N 3.18Å; A551-M554 PolarHBondContact O-N 2.95Å; G552-M554 PolarHBondContact O-N 2.95Å; M554-A556 PolarHBondContact O-N 2.89Å; M554-Q557 PolarHBondContact O-N 3.29Å; M554-I558 HydrophobicContact CB-CD1 3.99Å; M554-I558 HydrophobicContact CE-CD1 4.09Å; M554-I558 VanDerWaalsContact O-CB 3.28Å; M554-I558 WeakPolarHBondContact O-CB 3.43Å; M554-I558 WeakPolarHBondContact O-CG1 3.35Å; M554-I558 PolarHBondContact O-N 2.99Å; M554-M716 HydrophobicContact CB-CE 4.06Å; M554-M716 WeakPolarHBondContact CE-O 3.31Å; M554-A719 HydrophobicContact CE-CB 3.93Å; M554-V720 HydrophobicContact CE-CG1 4.11Å; M554-V720 HydrophobicContact CE-CG2 4.22Å; M554-V720 HydrophobicContact SD-CG1 4.29Å; M554-V720 HydrophobicContact SD-CG2 3.5Å; M554-V720 VanDerWaalsContact SD-CG2 3.5Å |
| 555 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.9 | -40.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A551 G552 G559 I650 V679 V681 M716 | A551-A555 WeakPolarHBondContact O-CB 3.39Å; A551-A555 PolarHBondContact O-N 3.22Å; G552-A555 PolarHBondContact O-N 3.08Å; A555-G559 PolarHBondContact O-N 3.45Å; A555-I650 HydrophobicContact CB-CD1 3.97Å; A555-I650 HydrophobicContact CB-CG1 4.32Å; A555-I650 HydrophobicContact CB-CG2 3.8Å; A555-V679 HydrophobicContact CB-CG1 3.83Å; A555-V681 HydrophobicContact CB-CG2 3.79Å; A555-M716 HydrophobicContact CB-CE 4Å |
| 556 | A | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.6 | -42.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | M554 A560 I600 A601 I650 | M554-A556 PolarHBondContact O-N 2.89Å; A556-A560 WeakPolarHBondContact O-CB 3.32Å; A556-A560 PolarHBondContact O-N 3.49Å; A556-I600 HydrophobicContact CB-CB 3.76Å; A556-I600 HydrophobicContact CB-CG2 3.63Å; A556-A601 HydrophobicContact CB-CB 4.24Å; A556-I650 HydrophobicContact CB-CD1 4.45Å |
| 557 | Q | 97.5 | Very high | 96.8 | Very high | 109 Ų | 109 | 44.1 Ų | 44.1 | 51% | 0.509 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.2 | -46.5 | 178.7 | -65.8 | 173.6 | -20 | 0 | 0 | 111.9 | M554 A560 N561 I600 | M554-Q557 PolarHBondContact O-N 3.29Å; Q557-A560 WeakPolarHBondContact O-CB 3.49Å; Q557-A560 PolarHBondContact O-N 3.39Å; Q557-N561 PolarHBondContact O-N 3.38Å; Q557-I600 HydrophobicContact CG-CG2 4.1Å |
| 558 | I | 96.9 | Very high | 96.5 | Very high | 25 Ų | 25 | 44.6 Ų | 44.6 | 13% | 0.128 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.8 | -47 | 177.4 | -73 | 167.7 | 0 | 0 | 0 | 109.9 | M554 A560 N561 F562 Y711 M716 | M554-I558 HydrophobicContact CB-CD1 3.99Å; M554-I558 HydrophobicContact CE-CD1 4.09Å; M554-I558 VanDerWaalsContact O-CB 3.28Å; M554-I558 WeakPolarHBondContact O-CB 3.43Å; M554-I558 WeakPolarHBondContact O-CG1 3.35Å; M554-I558 PolarHBondContact O-N 2.99Å; I558-A560 VanDerWaalsContact C-N 3.3Å; I558-A560 PolarHBondContact O-N 3.24Å; I558-N561 PolarHBondContact O-N 3.08Å; I558-N561 VanDerWaalsContact O-N 3.15Å; I558-F562 HydrophobicContact CG2-CD2 3.62Å; I558-F562 HydrophobicContact CG2-CE2 3.76Å; I558-F562 WeakPolarHBondContact O-CD2 3.41Å; I558-F562 PolarHBondContact O-N 3.15Å; I558-Y711 HydrophobicContact CD1-CE1 4.39Å; I558-Y711 HydrophobicContact CD1-CE2 4.44Å; I558-Y711 HydrophobicContact CG2-CD1 4.24Å; I558-Y711 HydrophobicContact CG2-CD2 3.57Å; I558-Y711 HydrophobicContact CG2-CE1 4.22Å; I558-Y711 HydrophobicContact CG2-CE2 3.53Å; I558-Y711 HydrophobicContact CG2-CG 3.93Å; I558-M716 HydrophobicContact CD1-CE 3.69Å |
| 559 | G | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.6 | -41.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | A555 L563 | A555-G559 PolarHBondContact O-N 3.45Å; G559-L563 WeakPolarHBondContact O-CB 3.41Å; G559-L563 WeakPolarHBondContact O-CG 3.47Å; G559-L563 PolarHBondContact O-N 3.01Å |
| 560 | A | 97.9 | Very high | 96.6 | Very high | 26 Ų | 26 | 45.6 Ų | 45.6 | 22% | 0.215 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A556 Q557 I558 L563 L574 L604 | A556-A560 WeakPolarHBondContact O-CB 3.32Å; A556-A560 PolarHBondContact O-N 3.49Å; Q557-A560 WeakPolarHBondContact O-CB 3.49Å; Q557-A560 PolarHBondContact O-N 3.39Å; I558-A560 VanDerWaalsContact C-N 3.3Å; I558-A560 PolarHBondContact O-N 3.24Å; A560-L563 WeakPolarHBondContact O-CB 3.2Å; A560-L563 PolarHBondContact O-N 3.35Å; A560-L574 HydrophobicContact CB-CD1 3.72Å; A560-L574 HydrophobicContact CB-CG 4.27Å; A560-L604 HydrophobicContact CB-CD1 4.28Å |
| 561 | N | 97.3 | Very high | 96.6 | Very high | 72 Ų | 72 | 47 Ų | 47 | 39% | 0.385 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.8 | -46.7 | 177.6 | -176.2 | -96.2 | 0 | 0 | 0 | 112 | Q557 I558 L563 E564 N567 | Q557-N561 PolarHBondContact O-N 3.38Å; I558-N561 PolarHBondContact O-N 3.08Å; I558-N561 VanDerWaalsContact O-N 3.15Å; N561-L563 PolarHBondContact O-N 3.42Å; N561-E564 VanDerWaalsContact O-CB 3.31Å; N561-E564 WeakPolarHBondContact O-CB 3.32Å; N561-E564 WeakPolarHBondContact O-CG 3.49Å; N561-E564 PolarHBondContact O-N 3.06Å; N561-E564 VanDerWaalsContact O-N 3.09Å; N561-N567 PolarHBondContact O-ND2 2.95Å; N561-N567 PolarHBondContact OD1-ND2 3.37Å |
| 562 | F | 97.6 | Very high | 96.6 | Very high | 25 Ų | 25 | 48.2 Ų | 48.2 | 11% | 0.11 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -72.2 | -14 | 178.2 | -76.1 | -65.6 | 0 | 0 | 0 | 113.6 | I558 E564 N567 G569 V677 P701 T702 Y711 | I558-F562 HydrophobicContact CG2-CD2 3.62Å; I558-F562 HydrophobicContact CG2-CE2 3.76Å; I558-F562 WeakPolarHBondContact O-CD2 3.41Å; I558-F562 PolarHBondContact O-N 3.15Å; F562-E564 VanDerWaalsContact C-N 3.26Å; F562-N567 HydrophobicContact CD1-CB 3.87Å; F562-N567 HydrophobicContact CE1-CB 4.41Å; F562-G569 WeakPolarHBondContact O-CA 3.22Å; F562-G569 PolarHBondContact O-N 3.14Å; F562-V677 HydrophobicContact CB-CG1 4.11Å; F562-V677 HydrophobicContact CB-CG2 4.13Å; F562-P701 HydrophobicContact CE1-CG 4.29Å; F562-P701 HydrophobicContact CE2-CB 4.44Å; F562-P701 HydrophobicContact CE2-CG 4.45Å; F562-P701 HydrophobicContact CZ-CB 4.03Å; F562-P701 HydrophobicContact CZ-CG 3.59Å; F562-T702 HydrophobicContact CD1-CG2 3.65Å; F562-T702 HydrophobicContact CD2-CG2 4.05Å; F562-T702 HydrophobicContact CE1-CG2 3.52Å; F562-T702 HydrophobicContact CE2-CG2 3.92Å; F562-T702 HydrophobicContact CG-CG2 3.95Å; F562-T702 HydrophobicContact CZ-CG2 3.68Å; F562-Y711 AromaticContact CD2-CD2 3.94Å; F562-Y711 HydrophobicContact CD2-CD2 3.94Å; F562-Y711 AromaticContact CE2-CD2 3.5Å; F562-Y711 HydrophobicContact CE2-CD2 3.5Å; F562-Y711 VanDerWaalsContact CE2-CD2 3.5Å; F562-Y711 AromaticContact CE2-CE2 3.8Å; F562-Y711 HydrophobicContact CE2-CE2 3.8Å; F562-Y711 HydrophobicContact CZ-CD2 4.33Å |
| 563 | L | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -21.3 | 168.9 | -93.5 | 170.4 | 0 | 0 | 0 | 112.9 | G559 A560 N561 G569 R570 G571 V572 L574 D647 L648 V677 | G559-L563 WeakPolarHBondContact O-CB 3.41Å; G559-L563 WeakPolarHBondContact O-CG 3.47Å; G559-L563 PolarHBondContact O-N 3.01Å; A560-L563 WeakPolarHBondContact O-CB 3.2Å; A560-L563 PolarHBondContact O-N 3.35Å; N561-L563 PolarHBondContact O-N 3.42Å; L563-G569 CarbonylContact O-C 3.55Å; L563-R570 HydrophobicContact CD2-CB 4.2Å; L563-R570 PolarHBondContact O-N 3.38Å; L563-G571 VanDerWaalsContact O-CA 3.31Å; L563-G571 WeakPolarHBondContact O-CA 3.47Å; L563-G571 PolarHBondContact O-N 3.05Å; L563-V572 HydrophobicContact CD2-CB 4.28Å; L563-V572 PolarHBondContact O-N 3.39Å; L563-L574 HydrophobicContact CD1-CD2 3.57Å; L563-L574 HydrophobicContact CD1-CG 4.17Å; L563-D647 HydrophobicContact CD1-CB 4.33Å; L563-D647 HydrophobicContact CD2-CB 4.05Å; L563-D647 WeakPolarHBondContact CD2-O 3.38Å; L563-L648 HydrophobicContact CD1-CB 3.92Å; L563-V677 HydrophobicContact CB-CG2 4.49Å; L563-V677 HydrophobicContact CD2-CG2 4.03Å; L563-V677 HydrophobicContact CG-CB 4.48Å; L563-V677 HydrophobicContact CG-CG2 3.87Å |
| 564 | E | 97.4 | Very high | 96.6 | Very high | 95 Ų | 95 | 48.8 Ų | 48.8 | 44% | 0.444 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -65.3 | 140 | 176.7 | -62.2 | 179.8 | -178.4 | 0 | 0 | 111.2 | N561 F562 V566 N567 G569 | N561-E564 VanDerWaalsContact O-CB 3.31Å; N561-E564 WeakPolarHBondContact O-CB 3.32Å; N561-E564 WeakPolarHBondContact O-CG 3.49Å; N561-E564 PolarHBondContact O-N 3.06Å; N561-E564 VanDerWaalsContact O-N 3.09Å; F562-E564 VanDerWaalsContact C-N 3.26Å; E564-V566 HydrophobicContact CB-CG2 4.04Å; E564-V566 PolarHBondContact O-N 3.07Å; E564-N567 PolarHBondContact O-N 2.79Å; E564-G569 PolarHBondContact O-N 3.08Å |
| 565 | R | 95.5 | Very high | 96.6 | Very high | 147 Ų | 147 | 50.6 Ų | 50.6 | 56% | 0.555 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -61.5 | -32.3 | -174.3 | -176.7 | 61.5 | -170.7 | 125.7 | 2.9 | 112.9 | N567 G568 G569 H675 | R565-N567 PolarHBondContact O-N 3.23Å; R565-G568 PolarHBondContact NH1-O 3.46Å; R565-G568 PolarHBondContact O-N 2.95Å; R565-G568 VanDerWaalsContact O-N 3.11Å; R565-G569 WeakPolarHBondContact CD-O 3.37Å; R565-H675 PolarHBondContact NH1-CE1 3.35Å; R565-H675 VanDerWaalsContact NH1-CE1 3.27Å; R565-H675 PolarHBondContact NH1-ND1 2.98Å |
| 566 | V | 94.5 | Very high | 96.5 | Very high | 124 Ų | 124 | 50.9 Ų | 50.9 | 75% | 0.752 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -62.9 | -25 | 177.1 | -63.3 | 0 | 0 | 0 | 0 | 112.7 | E564 | E564-V566 HydrophobicContact CB-CG2 4.04Å; E564-V566 PolarHBondContact O-N 3.07Å |
| 567 | N | 93.2 | Very high | 96.4 | Very high | 56 Ų | 56 | 54.9 Ų | 54.9 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -98.7 | 11.1 | 178.1 | -62.1 | -41 | 0 | 0 | 0 | 112.8 | N561 F562 E564 R565 | N561-N567 PolarHBondContact O-ND2 2.95Å; N561-N567 PolarHBondContact OD1-ND2 3.37Å; F562-N567 HydrophobicContact CD1-CB 3.87Å; F562-N567 HydrophobicContact CE1-CB 4.41Å; E564-N567 PolarHBondContact O-N 2.79Å; R565-N567 PolarHBondContact O-N 3.23Å |
| 568 | G | 90.5 | Very high | 96.4 | Very high | 19 Ų | 19 | 56.2 Ų | 56.2 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.5 | -13.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R565 | R565-G568 PolarHBondContact NH1-O 3.46Å; R565-G568 PolarHBondContact O-N 2.95Å; R565-G568 VanDerWaalsContact O-N 3.11Å |
| 569 | G | 96.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -70.1 | -178.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | F562 L563 E564 R565 G571 H675 | F562-G569 WeakPolarHBondContact O-CA 3.22Å; F562-G569 PolarHBondContact O-N 3.14Å; L563-G569 CarbonylContact O-C 3.55Å; E564-G569 PolarHBondContact O-N 3.08Å; R565-G569 WeakPolarHBondContact CD-O 3.37Å; G569-G571 PolarHBondContact O-N 3.44Å; G569-H675 CarbonylContact C-O 3.53Å; G569-H675 WeakPolarHBondContact CA-O 3.32Å |
| 570 | R | 96.3 | Very high | 96.2 | Very high | 115 Ų | 115 | 63.8 Ų | 63.8 | 43% | 0.434 | 38% | 0.382 | S | S | . | . | trans | -66.7 | -19.5 | -174.4 | -164.8 | 174.3 | -175.9 | 178.1 | 8.2 | 114.4 | L563 V572 D647 P673 H675 | L563-R570 HydrophobicContact CD2-CB 4.2Å; L563-R570 PolarHBondContact O-N 3.38Å; R570-V572 HydrophobicContact CB-CG2 4.11Å; R570-V572 HydrophobicContact CG-CG2 4.03Å; R570-D647 WeakPolarHBondContact CD-OD1 3.31Å; R570-D647 IonicContact CZ-OD1 2.68Å; R570-D647 IonicContact NE-OD1 2.68Å; R570-D647 IonicContact NH1-OD1 2.82Å; R570-D647 PolarHBondContact NH1-OD1 3.39Å; R570-P673 VanDerWaalsContact CZ-CB 3.45Å; R570-H675 HydrophobicContact CB-CB 4.3Å; R570-H675 WeakPolarHBondContact CB-O 3.32Å; R570-H675 PolarHBondContact N-O 3.22Å | ||
| 571 | G | 97 | Very high | 96.1 | Very high | 47 Ų | 47 | 66.7 Ų | 66.7 | 49% | 0.485 | 41% | 0.406 | S | S | . | . | trans | 82.9 | 37.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L563 G569 | L563-G571 VanDerWaalsContact O-CA 3.31Å; L563-G571 WeakPolarHBondContact O-CA 3.47Å; L563-G571 PolarHBondContact O-N 3.05Å; G569-G571 PolarHBondContact O-N 3.44Å | ||
| 572 | V | 97.1 | Very high | 96.1 | Very high | 34 Ų | 34 | 69.7 Ų | 69.7 | 21% | 0.206 | 41% | 0.412 | C | S | . | . | trans | -105.5 | 123.3 | -178.5 | 174.5 | 0 | 0 | 0 | 0 | 110.3 | L563 R570 D647 | L563-V572 HydrophobicContact CD2-CB 4.28Å; L563-V572 PolarHBondContact O-N 3.39Å; R570-V572 HydrophobicContact CB-CG2 4.11Å; R570-V572 HydrophobicContact CG-CG2 4.03Å; V572-D647 HydrophobicContact CG1-CB 4.48Å | ||
| 573 | L | 97.5 | Very high | 96.2 | Very high | 111 Ų | 111 | 68.5 Ų | 68.5 | 58% | 0.581 | 41% | 0.407 | S | S | * | . | trans | -83.5 | 117.4 | 166.3 | 179.5 | 65 | 0 | 0 | 0 | 108.6 | S575 G576 V577 | L573-S575 VanDerWaalsContact C-N 3.27Å; L573-S575 WeakPolarHBondContact CD2-OG 3.02Å; L573-S575 WeakPolarHBondContact CG-OG 3.49Å; L573-S575 PolarHBondContact O-N 2.63Å; L573-G576 PolarHBondContact O-N 2.83Å; L573-V577 HydrophobicContact CD2-CG1 4.38Å | ||
| 574 | L | 97.6 | Very high | 96.2 | Very high | 7 Ų | 7 | 70.9 Ų | 70.9 | 4% | 0.037 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -40 | -173.3 | -74.3 | -174.5 | 0 | 0 | 0 | 113.8 | A560 L563 G576 G583 V585 L604 A606 L648 | A560-L574 HydrophobicContact CB-CD1 3.72Å; A560-L574 HydrophobicContact CB-CG 4.27Å; L563-L574 HydrophobicContact CD1-CD2 3.57Å; L563-L574 HydrophobicContact CD1-CG 4.17Å; L574-G576 PolarHBondContact O-N 3.34Å; L574-G583 PolarHBondContact O-N 2.87Å; L574-V585 HydrophobicContact CD1-CG2 4.24Å; L574-V585 HydrophobicContact CD2-CG2 3.71Å; L574-L604 HydrophobicContact CD1-CD1 4.03Å; L574-A606 HydrophobicContact CB-CB 4.16Å; L574-A606 HydrophobicContact CD2-CB 4.34Å; L574-L648 HydrophobicContact CD1-CD2 4.5Å |
| 575 | S | 97.4 | Very high | 96.3 | Very high | 50 Ų | 50 | 66.4 Ų | 66.4 | 35% | 0.35 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -19.8 | 178.5 | 61.8 | 0 | 0 | 0 | 0 | 114 | L573 L604 | L573-S575 VanDerWaalsContact C-N 3.27Å; L573-S575 WeakPolarHBondContact CD2-OG 3.02Å; L573-S575 WeakPolarHBondContact CG-OG 3.49Å; L573-S575 PolarHBondContact O-N 2.63Å; S575-L604 VanDerWaalsContact CA-O 3.22Å; S575-L604 WeakPolarHBondContact CA-O 3.4Å; S575-L604 WeakPolarHBondContact CB-O 3.45Å; S575-L604 PolarHBondContact N-O 3.44Å |
| 576 | G | 95.7 | Very high | 96.4 | Very high | 7 Ų | 7 | 59.6 Ų | 59.6 | 7% | 0.072 | 37% | 0.373 | C | S | . | . | trans | 52.6 | -156.2 | -155.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L573 L574 | L573-G576 PolarHBondContact O-N 2.83Å; L574-G576 PolarHBondContact O-N 3.34Å | ||
| 577 | V | 96.4 | Very high | 96.6 | Very high | 83 Ų | 83 | 53.7 Ų | 53.7 | 50% | 0.503 | 34% | 0.337 | S | S | . | . | trans | -145.2 | 165.3 | 166.8 | -67.4 | 0 | 0 | 0 | 0 | 107.6 | L573 G579 V580 | L573-V577 HydrophobicContact CD2-CG1 4.38Å; V577-G579 PolarHBondContact O-N 3.17Å; V577-G579 VanDerWaalsContact O-N 3.1Å; V577-V580 HydrophobicContact CG2-CB 3.79Å; V577-V580 HydrophobicContact CG2-CG2 3.56Å; V577-V580 PolarHBondContact O-N 2.86Å; V577-V580 VanDerWaalsContact O-O 3.12Å | ||
| 578 | P | 96.2 | Very high | 96.8 | Very high | 137 Ų | 137 | 51 Ų | 51 | 89% | 0.89 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 121.6 | 176.4 | -28.8 | 36.6 | 0 | 0 | 0 | 112.3 | ||
| 579 | G | 95.3 | Very high | 97.1 | Very high | 92 Ų | 92 | 50.4 Ų | 50.4 | 95% | 0.948 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.5 | -3.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | V577 | V577-G579 PolarHBondContact O-N 3.17Å; V577-G579 VanDerWaalsContact O-N 3.1Å |
| 580 | V | 96.2 | Very high | 97.1 | Very high | 93 Ų | 93 | 50.4 Ų | 50.4 | 56% | 0.564 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -121.4 | 138.6 | 178 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | V577 | V577-V580 HydrophobicContact CG2-CB 3.79Å; V577-V580 HydrophobicContact CG2-CG2 3.56Å; V577-V580 PolarHBondContact O-N 2.86Å; V577-V580 VanDerWaalsContact O-O 3.12Å |
| 581 | A | 96.1 | Very high | 97 | Very high | 87 Ų | 87 | 46.5 Ų | 46.5 | 72% | 0.719 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 145.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 582 | R | 97.4 | Very high | 96.8 | Very high | 134 Ų | 134 | 46.9 Ų | 46.9 | 51% | 0.506 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 155.9 | 170 | -66.5 | 167.7 | 176.5 | -167.7 | 3 | 110.2 | G605 N607 | R582-G605 WeakPolarHBondContact CD-O 3.49Å; R582-G605 WeakPolarHBondContact CG-O 3.34Å; R582-G605 PolarHBondContact NE-O 3.04Å; R582-N607 WeakPolarHBondContact CD-OD1 3.06Å |
| 583 | G | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -73 | 148.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L574 N607 D647 | L574-G583 PolarHBondContact O-N 2.87Å; G583-N607 PolarHBondContact O-N 3.21Å; G583-D647 WeakPolarHBondContact CA-OD2 3.43Å |
| 584 | N | 98.5 | Very high | 96.8 | Very high | 50 Ų | 50 | 40.9 Ų | 40.9 | 27% | 0.267 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123 | 175.6 | -60.4 | -42 | 0 | 0 | 0 | 110.7 | N607 T645 D647 L648 | N584-N607 WeakPolarHBondContact OD1-CB 3.49Å; N584-N607 PolarHBondContact OD1-ND2 3Å; N584-T645 WeakPolarHBondContact CB-O 3.39Å; N584-T645 PolarHBondContact ND2-O 2.9Å; N584-D647 PolarHBondContact N-OD2 3.2Å; N584-D647 PolarHBondContact O-N 2.98Å; N584-L648 PolarHBondContact O-N 3.05Å |
| 585 | V | 98.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 121.8 | 178.5 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | L574 V587 A601 A606 N607 V608 T609 L648 I650 | L574-V585 HydrophobicContact CD1-CG2 4.24Å; L574-V585 HydrophobicContact CD2-CG2 3.71Å; V585-V587 HydrophobicContact CG1-CG2 4.23Å; V585-A601 HydrophobicContact CB-CB 4.26Å; V585-A601 HydrophobicContact CG1-CB 3.96Å; V585-A601 HydrophobicContact CG2-CB 4.17Å; V585-A606 HydrophobicContact CB-CB 4.45Å; V585-A606 HydrophobicContact CG2-CB 3.65Å; V585-N607 PolarHBondContact N-O 3.05Å; V585-V608 HydrophobicContact CB-CG2 4.39Å; V585-V608 WeakPolarHBondContact O-CA 3.41Å; V585-T609 PolarHBondContact O-N 3.22Å; V585-L648 CarbonylContact C-O 3.54Å; V585-L648 WeakPolarHBondContact CA-O 3.44Å; V585-L648 HydrophobicContact CG1-CD2 4.17Å; V585-L648 HydrophobicContact CG1-CG 4.28Å; V585-L648 HydrophobicContact CG2-CB 4.23Å; V585-L648 HydrophobicContact CG2-CD2 4.16Å; V585-I650 HydrophobicContact CG1-CD1 4.33Å |
| 586 | V | 98.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127.3 | 173.9 | 176.8 | 0 | 0 | 0 | 0 | 109.4 | I588 T609 M611 V642 A646 L648 V649 I650 | V586-I588 HydrophobicContact CG1-CG1 4.12Å; V586-T609 CarbonylContact C-O 3.6Å; V586-T609 WeakPolarHBondContact CA-O 3.37Å; V586-M611 HydrophobicContact CG1-SD 4.17Å; V586-V642 HydrophobicContact CG1-CG2 3.74Å; V586-V642 HydrophobicContact CG2-CB 4.03Å; V586-V642 HydrophobicContact CG2-CG2 3.98Å; V586-A646 HydrophobicContact CB-CB 4.29Å; V586-A646 HydrophobicContact CG2-CB 3.72Å; V586-L648 PolarHBondContact N-O 3.14Å; V586-V649 HydrophobicContact CB-CG2 4.46Å; V586-V649 CarbonylContact O-C 3.43Å; V586-V649 VanDerWaalsContact O-CA 3.32Å; V586-V649 WeakPolarHBondContact O-CA 3.49Å; V586-I650 PolarHBondContact O-N 3.14Å |
| 587 | V | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 117.7 | 176.2 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | V585 G594 A597 A598 V608 T609 I610 M611 I650 A652 | V585-V587 HydrophobicContact CG1-CG2 4.23Å; V587-G594 VanDerWaalsContact CG1-CA 3.47Å; V587-A597 HydrophobicContact CG1-CB 4.45Å; V587-A597 HydrophobicContact CG2-CB 4.34Å; V587-A598 HydrophobicContact CG2-CB 4.48Å; V587-V608 HydrophobicContact CG2-CG1 4.44Å; V587-T609 PolarHBondContact N-O 2.99Å; V587-I610 HydrophobicContact CB-CB 4.4Å; V587-I610 HydrophobicContact CB-CD1 4.48Å; V587-I610 HydrophobicContact CB-CG1 4.11Å; V587-I610 HydrophobicContact CG1-CD1 4.18Å; V587-I610 HydrophobicContact CG1-CG1 4.14Å; V587-I610 CarbonylContact O-C 3.6Å; V587-I610 WeakPolarHBondContact O-CA 3.09Å; V587-M611 PolarHBondContact O-N 3.31Å; V587-I650 HydrophobicContact CG2-CB 4.43Å; V587-A652 HydrophobicContact CG1-CB 4.41Å |
| 588 | I | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 107.3 | 179.4 | -52.8 | 177.8 | 0 | 0 | 0 | 108.3 | V586 I639 V649 I650 A652 V653 L663 V664 I688 | V586-I588 HydrophobicContact CG1-CG1 4.12Å; I588-I639 HydrophobicContact CD1-CG2 4.24Å; I588-V649 HydrophobicContact CD1-CG1 4.14Å; I588-V649 HydrophobicContact CG1-CG1 4.48Å; I588-I650 PolarHBondContact N-O 2.81Å; I588-A652 CarbonylContact O-C 3.43Å; I588-A652 WeakPolarHBondContact O-CA 3.44Å; I588-A652 WeakPolarHBondContact O-CB 3.13Å; I588-A652 PolarHBondContact O-N 3.02Å; I588-V653 HydrophobicContact CG2-CG2 4.03Å; I588-V653 WeakPolarHBondContact O-CG2 3.29Å; I588-V653 PolarHBondContact O-N 3.39Å; I588-L663 HydrophobicContact CG2-CD1 4.27Å; I588-V664 HydrophobicContact CD1-CG2 3.63Å; I588-I688 HydrophobicContact CB-CD1 3.98Å; I588-I688 HydrophobicContact CD1-CD1 4.29Å; I588-I688 HydrophobicContact CG2-CD1 4.04Å |
| 589 | G | 96.5 | Very high | 97 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 6% | 0.062 | 22% | 0.222 | C | C | . | . | trans | 114.1 | 120.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G594 M611 | G589-G594 WeakPolarHBondContact O-CA 3.32Å; G589-M611 CarbonylContact C-O 3.59Å; G589-M611 VanDerWaalsContact CA-O 3.31Å; G589-M611 WeakPolarHBondContact CA-O 3.43Å; G589-M611 PolarHBondContact N-O 3.46Å | ||
| 590 | G | 95.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -91 | 5.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | D612 R617 | G590-D612 WeakPolarHBondContact CA-OD2 3.38Å; G590-D612 PolarHBondContact N-OD2 3.35Å; G590-R617 VanDerWaalsContact O-CZ 3.25Å; G590-R617 PolarHBondContact O-NE 3.2Å; G590-R617 PolarHBondContact O-NH2 2.79Å | ||
| 591 | G | 93.5 | Very high | 97.3 | Very high | 33 Ų | 33 | 28.6 Ų | 28.6 | 34% | 0.34 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -67.3 | -159.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | G594 M595 | G591-G594 PolarHBondContact O-N 3.41Å; G591-M595 VanDerWaalsContact O-CB 3.29Å; G591-M595 WeakPolarHBondContact O-CB 3.49Å; G591-M595 PolarHBondContact O-N 3.3Å |
| 592 | V | 94.2 | Very high | 97.3 | Very high | 56 Ų | 56 | 25.9 Ų | 25.9 | 34% | 0.339 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -61.6 | -46.9 | -178.1 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | E549 N596 | E549-V592 HydrophobicContact CB-CG1 4.42Å; E549-V592 HydrophobicContact CG-CG1 3.49Å; E549-V592 VanDerWaalsContact CG-CG1 3.49Å; V592-N596 WeakPolarHBondContact O-CB 3.44Å; V592-N596 PolarHBondContact O-N 3.42Å; V592-N596 PolarHBondContact O-ND2 3.32Å |
| 593 | V | 95.9 | Very high | 97.3 | Very high | 18 Ų | 18 | 22.9 Ų | 22.9 | 11% | 0.109 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.7 | -54.7 | 175.9 | 176 | 0 | 0 | 0 | 0 | 110.1 | S548 G552 M595 N596 A597 A652 V681 | S548-V593 WeakPolarHBondContact O-CA 3.4Å; G552-V593 WeakPolarHBondContact CA-O 3.1Å; V593-M595 PolarHBondContact O-N 3.05Å; V593-N596 PolarHBondContact O-N 3.15Å; V593-A597 WeakPolarHBondContact O-CB 3.49Å; V593-A597 PolarHBondContact O-N 3.14Å; V593-A652 HydrophobicContact CB-CB 3.92Å; V593-A652 HydrophobicContact CG1-CB 3.56Å; V593-V681 HydrophobicContact CG1-CB 4.01Å; V593-V681 HydrophobicContact CG1-CG1 3.74Å; V593-V681 HydrophobicContact CG1-CG2 4.05Å; V593-V681 HydrophobicContact CG2-CG1 4.33Å |
| 594 | G | 97.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64 | -41.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V587 G589 G591 N596 A597 A598 | V587-G594 VanDerWaalsContact CG1-CA 3.47Å; G589-G594 WeakPolarHBondContact O-CA 3.32Å; G591-G594 PolarHBondContact O-N 3.41Å; G594-N596 VanDerWaalsContact C-N 3.33Å; G594-N596 PolarHBondContact O-N 3.45Å; G594-A597 PolarHBondContact O-N 3.09Å; G594-A598 WeakPolarHBondContact O-CB 3.48Å; G594-A598 PolarHBondContact O-N 2.94Å |
| 595 | M | 97.3 | Very high | 97.1 | Very high | 47 Ų | 47 | 24.9 Ų | 24.9 | 23% | 0.232 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.3 | -42.9 | 175.2 | -176.6 | -176.2 | 74.3 | 0 | 0 | 111.8 | G591 V593 K599 L621 I624 F625 | G591-M595 VanDerWaalsContact O-CB 3.29Å; G591-M595 WeakPolarHBondContact O-CB 3.49Å; G591-M595 PolarHBondContact O-N 3.3Å; V593-M595 PolarHBondContact O-N 3.05Å; M595-K599 VanDerWaalsContact O-CB 3.32Å; M595-K599 WeakPolarHBondContact O-CB 3.33Å; M595-K599 PolarHBondContact O-N 3.05Å; M595-L621 HydrophobicContact CB-CD2 4.01Å; M595-L621 HydrophobicContact CG-CD2 3.88Å; M595-I624 HydrophobicContact SD-CD1 4.1Å; M595-F625 HydrophobicContact CG-CE2 4.27Å; M595-F625 HydrophobicContact CG-CZ 4.38Å |
| 596 | N | 98.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.7 | -38.2 | 178.6 | -83.6 | -86.7 | 0 | 0 | 0 | 112.2 | R553 V592 V593 G594 K599 I600 | R553-N596 HydrophobicContact CG-CB 3.94Å; R553-N596 PolarHBondContact NE-OD1 2.9Å; R553-N596 PolarHBondContact NH2-OD1 2.79Å; V592-N596 WeakPolarHBondContact O-CB 3.44Å; V592-N596 PolarHBondContact O-N 3.42Å; V592-N596 PolarHBondContact O-ND2 3.32Å; V593-N596 PolarHBondContact O-N 3.15Å; G594-N596 VanDerWaalsContact C-N 3.33Å; G594-N596 PolarHBondContact O-N 3.45Å; N596-K599 PolarHBondContact O-N 3.45Å; N596-I600 WeakPolarHBondContact O-CG1 3.11Å; N596-I600 PolarHBondContact O-N 3.33Å; N596-I600 VanDerWaalsContact O-N 3.08Å |
| 597 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.4 | -49.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G552 V587 V593 G594 K599 I600 A601 I650 | G552-A597 WeakPolarHBondContact O-CA 3.41Å; G552-A597 WeakPolarHBondContact O-CB 3.37Å; G552-A597 PolarHBondContact O-N 3.05Å; V587-A597 HydrophobicContact CG1-CB 4.45Å; V587-A597 HydrophobicContact CG2-CB 4.34Å; V593-A597 WeakPolarHBondContact O-CB 3.49Å; V593-A597 PolarHBondContact O-N 3.14Å; G594-A597 PolarHBondContact O-N 3.09Å; A597-K599 VanDerWaalsContact C-N 3.31Å; A597-K599 PolarHBondContact O-N 2.68Å; A597-I600 PolarHBondContact O-N 2.7Å; A597-A601 WeakPolarHBondContact O-CB 3.3Å; A597-A601 PolarHBondContact O-N 3.28Å; A597-I650 HydrophobicContact CB-CD1 3.83Å; A597-I650 HydrophobicContact CB-CG2 4.16Å |
| 598 | A | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.9 | -41.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V587 G594 I600 A601 A602 V608 I610 F625 I629 | V587-A598 HydrophobicContact CG2-CB 4.48Å; G594-A598 WeakPolarHBondContact O-CB 3.48Å; G594-A598 PolarHBondContact O-N 2.94Å; A598-I600 PolarHBondContact O-N 2.98Å; A598-A601 PolarHBondContact O-N 3.33Å; A598-A602 WeakPolarHBondContact O-CB 3.3Å; A598-A602 PolarHBondContact O-N 3.17Å; A598-V608 HydrophobicContact CB-CG1 3.86Å; A598-I610 HydrophobicContact CB-CD1 4.02Å; A598-F625 HydrophobicContact CB-CZ 4.23Å; A598-I629 HydrophobicContact CB-CD1 4.1Å |
| 599 | K | 97.7 | Very high | 97.1 | Very high | 120 Ų | 120 | 29.6 Ų | 29.6 | 52% | 0.522 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59 | -47 | 176.9 | -176.9 | 175.9 | -179.9 | 175.1 | 0 | 112.8 | M595 N596 A597 G603 F625 | M595-K599 VanDerWaalsContact O-CB 3.32Å; M595-K599 WeakPolarHBondContact O-CB 3.33Å; M595-K599 PolarHBondContact O-N 3.05Å; N596-K599 PolarHBondContact O-N 3.45Å; A597-K599 VanDerWaalsContact C-N 3.31Å; A597-K599 PolarHBondContact O-N 2.68Å; K599-G603 PolarHBondContact O-N 2.87Å; K599-F625 HydrophobicContact CB-CE1 3.91Å; K599-F625 HydrophobicContact CB-CZ 3.95Å; K599-F625 HydrophobicContact CG-CE1 4.38Å |
| 600 | I | 98.2 | Very high | 97.2 | Very high | 41 Ų | 41 | 29.3 Ų | 29.3 | 21% | 0.21 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72 | -42.8 | 179.4 | -62.2 | -55 | 0 | 0 | 0 | 111.1 | R553 A556 Q557 N596 A597 A598 A602 G603 L604 | R553-I600 HydrophobicContact CB-CD1 4.41Å; R553-I600 HydrophobicContact CB-CG1 3.75Å; R553-I600 HydrophobicContact CG-CD1 4.12Å; R553-I600 HydrophobicContact CG-CG1 3.69Å; A556-I600 HydrophobicContact CB-CB 3.76Å; A556-I600 HydrophobicContact CB-CG2 3.63Å; Q557-I600 HydrophobicContact CG-CG2 4.1Å; N596-I600 WeakPolarHBondContact O-CG1 3.11Å; N596-I600 PolarHBondContact O-N 3.33Å; N596-I600 VanDerWaalsContact O-N 3.08Å; A597-I600 PolarHBondContact O-N 2.7Å; A598-I600 PolarHBondContact O-N 2.98Å; I600-A602 PolarHBondContact O-N 3.3Å; I600-G603 CarbonylContact O-C 3.57Å; I600-G603 PolarHBondContact O-N 2.9Å; I600-L604 HydrophobicContact CG2-CD1 4.25Å; I600-L604 HydrophobicContact CG2-CG 4.48Å; I600-L604 WeakPolarHBondContact O-CG 3.48Å; I600-L604 PolarHBondContact O-N 2.94Å |
| 601 | A | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A556 V585 A597 A598 L604 G605 A606 V608 | A556-A601 HydrophobicContact CB-CB 4.24Å; V585-A601 HydrophobicContact CB-CB 4.26Å; V585-A601 HydrophobicContact CG1-CB 3.96Å; V585-A601 HydrophobicContact CG2-CB 4.17Å; A597-A601 WeakPolarHBondContact O-CB 3.3Å; A597-A601 PolarHBondContact O-N 3.28Å; A598-A601 PolarHBondContact O-N 3.33Å; A601-L604 PolarHBondContact O-N 3.28Å; A601-G605 PolarHBondContact O-N 3.29Å; A601-A606 VanDerWaalsContact O-CB 3.31Å; A601-A606 WeakPolarHBondContact O-CB 3.41Å; A601-A606 PolarHBondContact O-N 2.96Å; A601-A606 VanDerWaalsContact O-N 3.1Å; A601-V608 HydrophobicContact CB-CG2 3.73Å |
| 602 | A | 97.1 | Very high | 97.5 | Very high | 30 Ų | 30 | 29 Ų | 29 | 25% | 0.248 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.8 | -39.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A598 I600 L604 G605 V608 I629 | A598-A602 WeakPolarHBondContact O-CB 3.3Å; A598-A602 PolarHBondContact O-N 3.17Å; I600-A602 PolarHBondContact O-N 3.3Å; A602-L604 VanDerWaalsContact C-N 3.27Å; A602-L604 PolarHBondContact O-N 3.45Å; A602-G605 WeakPolarHBondContact O-CA 3.33Å; A602-G605 PolarHBondContact O-N 3.26Å; A602-V608 HydrophobicContact CB-CG2 4.09Å; A602-I629 HydrophobicContact CB-CG2 3.96Å |
| 603 | G | 96.4 | Very high | 97.5 | Very high | 70 Ų | 70 | 31.4 Ų | 31.4 | 72% | 0.722 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -63.2 | -29.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K599 I600 G605 | K599-G603 PolarHBondContact O-N 2.87Å; I600-G603 CarbonylContact O-C 3.57Å; I600-G603 PolarHBondContact O-N 2.9Å; G603-G605 PolarHBondContact O-N 3.23Å |
| 604 | L | 96.5 | Very high | 97.4 | Very high | 74 Ų | 74 | 32.7 Ų | 32.7 | 39% | 0.387 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -4.8 | 169.8 | -68.7 | 172.1 | 0 | 0 | 0 | 112.9 | A560 L574 S575 I600 A601 A602 | A560-L604 HydrophobicContact CB-CD1 4.28Å; L574-L604 HydrophobicContact CD1-CD1 4.03Å; S575-L604 VanDerWaalsContact CA-O 3.22Å; S575-L604 WeakPolarHBondContact CA-O 3.4Å; S575-L604 WeakPolarHBondContact CB-O 3.45Å; S575-L604 PolarHBondContact N-O 3.44Å; I600-L604 HydrophobicContact CG2-CD1 4.25Å; I600-L604 HydrophobicContact CG2-CG 4.48Å; I600-L604 WeakPolarHBondContact O-CG 3.48Å; I600-L604 PolarHBondContact O-N 2.94Å; A601-L604 PolarHBondContact O-N 3.28Å; A602-L604 VanDerWaalsContact C-N 3.27Å; A602-L604 PolarHBondContact O-N 3.45Å |
| 605 | G | 96.4 | Very high | 97.3 | Very high | 19 Ų | 19 | 36 Ų | 36 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 15.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R582 A601 A602 G603 | R582-G605 WeakPolarHBondContact CD-O 3.49Å; R582-G605 WeakPolarHBondContact CG-O 3.34Å; R582-G605 PolarHBondContact NE-O 3.04Å; A601-G605 PolarHBondContact O-N 3.29Å; A602-G605 WeakPolarHBondContact O-CA 3.33Å; A602-G605 PolarHBondContact O-N 3.26Å; G603-G605 PolarHBondContact O-N 3.23Å |
| 606 | A | 98.2 | Very high | 97.2 | Very high | 7 Ų | 7 | 38 Ų | 38 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | trans | -71.5 | 161.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | L574 V585 A601 V608 | L574-A606 HydrophobicContact CB-CB 4.16Å; L574-A606 HydrophobicContact CD2-CB 4.34Å; V585-A606 HydrophobicContact CB-CB 4.45Å; V585-A606 HydrophobicContact CG2-CB 3.65Å; A601-A606 VanDerWaalsContact O-CB 3.31Å; A601-A606 WeakPolarHBondContact O-CB 3.41Å; A601-A606 PolarHBondContact O-N 2.96Å; A601-A606 VanDerWaalsContact O-N 3.1Å; A606-V608 HydrophobicContact CB-CG2 4.19Å | ||
| 607 | N | 98.2 | Very high | 97 | Very high | 71 Ų | 71 | 40.1 Ų | 40.1 | 38% | 0.38 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 115.5 | 161.2 | -65.9 | -26.9 | 0 | 0 | 0 | 108.5 | R582 G583 N584 V585 | R582-N607 WeakPolarHBondContact CD-OD1 3.06Å; G583-N607 PolarHBondContact O-N 3.21Å; N584-N607 WeakPolarHBondContact OD1-CB 3.49Å; N584-N607 PolarHBondContact OD1-ND2 3Å; V585-N607 PolarHBondContact N-O 3.05Å |
| 608 | V | 98.6 | Very high | 96.9 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128.6 | -173.4 | -176.3 | 0 | 0 | 0 | 0 | 111 | V585 V587 A598 A601 A602 A606 I629 Q630 | V585-V608 HydrophobicContact CB-CG2 4.39Å; V585-V608 WeakPolarHBondContact O-CA 3.41Å; V587-V608 HydrophobicContact CG2-CG1 4.44Å; A598-V608 HydrophobicContact CB-CG1 3.86Å; A601-V608 HydrophobicContact CB-CG2 3.73Å; A602-V608 HydrophobicContact CB-CG2 4.09Å; A606-V608 HydrophobicContact CB-CG2 4.19Å; V608-I629 HydrophobicContact CB-CB 4.18Å; V608-I629 HydrophobicContact CB-CG2 3.93Å; V608-I629 HydrophobicContact CG1-CB 4.39Å; V608-I629 HydrophobicContact CG1-CG2 4.26Å; V608-Q630 PolarHBondContact O-N 3.17Å |
| 609 | T | 98.6 | Very high | 96.8 | Very high | 19 Ų | 19 | 47.5 Ų | 47.5 | 12% | 0.117 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 117.2 | 166.8 | -54.7 | 0 | 0 | 0 | 0 | 109.5 | V585 V586 V587 M611 Q630 L632 V642 | V585-T609 PolarHBondContact O-N 3.22Å; V586-T609 CarbonylContact C-O 3.6Å; V586-T609 WeakPolarHBondContact CA-O 3.37Å; V587-T609 PolarHBondContact N-O 2.99Å; T609-M611 HydrophobicContact CG2-CG 4.39Å; T609-Q630 CarbonylContact C-O 3.55Å; T609-Q630 WeakPolarHBondContact CA-O 3.5Å; T609-Q630 HydrophobicContact CG2-CB 4.33Å; T609-Q630 HydrophobicContact CG2-CG 4.15Å; T609-Q630 PolarHBondContact OG1-OE1 3.28Å; T609-L632 HydrophobicContact CG2-CB 3.94Å; T609-L632 HydrophobicContact CG2-CD2 4.15Å; T609-V642 HydrophobicContact CG2-CG1 4.42Å |
| 610 | I | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 132.6 | 173.6 | -167.8 | 158.3 | 0 | 0 | 0 | 110.6 | V587 A598 L621 I629 Q630 T631 L632 | V587-I610 HydrophobicContact CB-CB 4.4Å; V587-I610 HydrophobicContact CB-CD1 4.48Å; V587-I610 HydrophobicContact CB-CG1 4.11Å; V587-I610 HydrophobicContact CG1-CD1 4.18Å; V587-I610 HydrophobicContact CG1-CG1 4.14Å; V587-I610 CarbonylContact O-C 3.6Å; V587-I610 WeakPolarHBondContact O-CA 3.09Å; A598-I610 HydrophobicContact CB-CD1 4.02Å; I610-L621 HydrophobicContact CD1-CD1 3.86Å; I610-L621 HydrophobicContact CD1-CD2 4.32Å; I610-L621 HydrophobicContact CG1-CD1 4.21Å; I610-L621 HydrophobicContact CG2-CD1 4.09Å; I610-I629 HydrophobicContact CB-CD1 4.27Å; I610-I629 HydrophobicContact CG2-CD1 3.55Å; I610-I629 HydrophobicContact CG2-CG1 4.34Å; I610-Q630 PolarHBondContact N-O 2.81Å; I610-T631 HydrophobicContact CG2-CG2 3.92Å; I610-T631 WeakPolarHBondContact O-CA 3.44Å; I610-L632 PolarHBondContact O-N 3.17Å |
| 611 | M | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 136.4 | -176.1 | -52.6 | -175.1 | 80.7 | 0 | 0 | 111.9 | V586 V587 G589 T609 L632 N638 I639 V642 | V586-M611 HydrophobicContact CG1-SD 4.17Å; V587-M611 PolarHBondContact O-N 3.31Å; G589-M611 CarbonylContact C-O 3.59Å; G589-M611 VanDerWaalsContact CA-O 3.31Å; G589-M611 WeakPolarHBondContact CA-O 3.43Å; G589-M611 PolarHBondContact N-O 3.46Å; T609-M611 HydrophobicContact CG2-CG 4.39Å; M611-L632 VanDerWaalsContact CA-O 3.24Å; M611-L632 WeakPolarHBondContact CA-O 3.46Å; M611-L632 HydrophobicContact CE-CD2 3.88Å; M611-L632 HydrophobicContact CE-CG 4.13Å; M611-L632 HydrophobicContact CG-CB 4.33Å; M611-N638 HydrophobicContact CE-CB 3.61Å; M611-I639 HydrophobicContact CE-CB 4.45Å; M611-I639 HydrophobicContact CE-CG1 3.78Å; M611-I639 HydrophobicContact SD-CG1 4.04Å; M611-V642 HydrophobicContact CE-CG2 4.3Å; M611-V642 HydrophobicContact SD-CG2 3.63Å |
| 612 | D | 97 | Very high | 96.5 | Very high | 27 Ų | 27 | 48 Ų | 48 | 14% | 0.144 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 156.5 | 174.3 | -157 | -71.7 | 0 | 0 | 0 | 109.9 | G590 S614 L618 L632 S634 | G590-D612 WeakPolarHBondContact CA-OD2 3.38Å; G590-D612 PolarHBondContact N-OD2 3.35Å; D612-S614 VanDerWaalsContact OD1-CB 3.24Å; D612-S614 WeakPolarHBondContact OD1-CB 3.28Å; D612-S614 PolarHBondContact OD1-N 3.32Å; D612-L618 HydrophobicContact CB-CD2 3.64Å; D612-L618 HydrophobicContact CB-CG 4.08Å; D612-L632 PolarHBondContact N-O 2.78Å; D612-S634 PolarHBondContact O-N 3.42Å |
| 613 | V | 95.6 | Very high | 96.4 | Very high | 105 Ų | 105 | 53.2 Ų | 53.2 | 64% | 0.636 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -81.4 | -21.5 | 174.1 | -63.1 | 0 | 0 | 0 | 0 | 111.8 | V615 | V613-V615 PolarHBondContact O-N 3.24Š|
| 614 | S | 92.8 | Very high | 96.3 | Very high | 46 Ų | 46 | 54.5 Ų | 54.5 | 32% | 0.322 | 30% | 0.296 | S | S | . | . | trans | -88.5 | 102.5 | -177.5 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | D612 P616 R617 L618 | D612-S614 VanDerWaalsContact OD1-CB 3.24Å; D612-S614 WeakPolarHBondContact OD1-CB 3.28Å; D612-S614 PolarHBondContact OD1-N 3.32Å; S614-P616 VanDerWaalsContact C-CD 3.49Å; S614-P616 VanDerWaalsContact C-N 3.32Å; S614-P616 WeakPolarHBondContact OG-CD 3.15Å; S614-R617 WeakPolarHBondContact O-CA 3.44Å; S614-R617 WeakPolarHBondContact O-CB 3.44Å; S614-R617 PolarHBondContact O-N 3.08Å; S614-R617 PolarHBondContact OG-N 3.09Å; S614-L618 WeakPolarHBondContact O-CG 3.4Å; S614-L618 PolarHBondContact O-N 3.16Å | ||
| 615 | V | 94.9 | Very high | 96.3 | Very high | 68 Ų | 68 | 52 Ų | 52 | 41% | 0.412 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -54.3 | -42 | 171.8 | -179.7 | 0 | 0 | 0 | 0 | 112.5 | V613 R617 L618 K619 M633 | V613-V615 PolarHBondContact O-N 3.24Å; V615-R617 VanDerWaalsContact C-N 3.28Å; V615-R617 PolarHBondContact O-N 3.43Å; V615-L618 PolarHBondContact O-N 3.24Å; V615-K619 WeakPolarHBondContact O-CG 3.47Å; V615-K619 PolarHBondContact O-N 3.19Å; V615-M633 HydrophobicContact CG2-CE 3.48Å; V615-M633 VanDerWaalsContact CG2-CE 3.48Å; V615-M633 HydrophobicContact CG2-SD 4.42Å |
| 616 | P | 95.4 | Very high | 96.1 | Very high | 89 Ų | 89 | 57.7 Ų | 57.7 | 58% | 0.578 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -56.9 | -39.9 | 172.8 | -26.6 | 35.5 | 0 | 0 | 0 | 113.4 | S614 K619 Q620 | S614-P616 VanDerWaalsContact C-CD 3.49Å; S614-P616 VanDerWaalsContact C-N 3.32Å; S614-P616 WeakPolarHBondContact OG-CD 3.15Å; P616-K619 PolarHBondContact O-N 3.01Å; P616-Q620 PolarHBondContact O-N 2.94Å; P616-Q620 VanDerWaalsContact O-N 3.14Å |
| 617 | R | 93.9 | Very high | 95.7 | Very high | 49 Ų | 49 | 59.7 Ų | 59.7 | 19% | 0.185 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.7 | -42.3 | 177.7 | -176.1 | 55.8 | 179.8 | 166.9 | 3.5 | 111.9 | G590 S614 V615 K619 Q620 L621 | G590-R617 VanDerWaalsContact O-CZ 3.25Å; G590-R617 PolarHBondContact O-NE 3.2Å; G590-R617 PolarHBondContact O-NH2 2.79Å; S614-R617 WeakPolarHBondContact O-CA 3.44Å; S614-R617 WeakPolarHBondContact O-CB 3.44Å; S614-R617 PolarHBondContact O-N 3.08Å; S614-R617 PolarHBondContact OG-N 3.09Å; V615-R617 VanDerWaalsContact C-N 3.28Å; V615-R617 PolarHBondContact O-N 3.43Å; R617-K619 VanDerWaalsContact C-N 3.3Å; R617-K619 PolarHBondContact O-N 3.07Å; R617-Q620 WeakPolarHBondContact O-CB 3.41Å; R617-Q620 PolarHBondContact O-N 3.16Å; R617-Q620 VanDerWaalsContact O-N 3.14Å; R617-L621 HydrophobicContact CG-CD1 4.16Å; R617-L621 WeakPolarHBondContact O-CG 3.17Å; R617-L621 PolarHBondContact O-N 3.15Å |
| 618 | L | 97 | Very high | 95.4 | Very high | 15 Ų | 15 | 62.5 Ų | 62.5 | 8% | 0.079 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.8 | -42 | 174.5 | -64.6 | 177.8 | 0 | 0 | 0 | 111.5 | D612 S614 V615 Q620 L621 D622 | D612-L618 HydrophobicContact CB-CD2 3.64Å; D612-L618 HydrophobicContact CB-CG 4.08Å; S614-L618 WeakPolarHBondContact O-CG 3.4Å; S614-L618 PolarHBondContact O-N 3.16Å; V615-L618 PolarHBondContact O-N 3.24Å; L618-Q620 VanDerWaalsContact C-N 3.35Å; L618-Q620 PolarHBondContact O-N 3.38Å; L618-L621 PolarHBondContact O-N 3.31Å; L618-D622 WeakPolarHBondContact O-CB 3.18Å; L618-D622 PolarHBondContact O-N 3.1Å |
| 619 | K | 95.7 | Very high | 95.3 | Very high | 141 Ų | 141 | 62.4 Ų | 62.4 | 61% | 0.613 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60 | -41.2 | 173.8 | -73.2 | 178.2 | 177.7 | -177.8 | 0 | 112.9 | V615 P616 R617 L623 | V615-K619 WeakPolarHBondContact O-CG 3.47Å; V615-K619 PolarHBondContact O-N 3.19Å; P616-K619 PolarHBondContact O-N 3.01Å; R617-K619 VanDerWaalsContact C-N 3.3Å; R617-K619 PolarHBondContact O-N 3.07Å; K619-L623 WeakPolarHBondContact O-CG 3.42Å; K619-L623 PolarHBondContact O-N 3.13Å |
| 620 | Q | 94.7 | Very high | 95.3 | Very high | 101 Ų | 101 | 66.5 Ų | 66.5 | 47% | 0.472 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 175.8 | -72.5 | 178.1 | -8.3 | 0 | 0 | 111.7 | P616 R617 L618 L623 I624 | P616-Q620 PolarHBondContact O-N 2.94Å; P616-Q620 VanDerWaalsContact O-N 3.14Å; R617-Q620 WeakPolarHBondContact O-CB 3.41Å; R617-Q620 PolarHBondContact O-N 3.16Å; R617-Q620 VanDerWaalsContact O-N 3.14Å; L618-Q620 VanDerWaalsContact C-N 3.35Å; L618-Q620 PolarHBondContact O-N 3.38Å; Q620-L623 PolarHBondContact O-N 2.83Å; Q620-I624 WeakPolarHBondContact O-CD1 3.28Å; Q620-I624 VanDerWaalsContact O-CG1 3.22Å; Q620-I624 WeakPolarHBondContact O-CG1 3.2Å; Q620-I624 PolarHBondContact O-N 3.28Å |
| 621 | L | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 179.4 | -68.4 | 165 | 0 | 0 | 0 | 111.1 | M595 I610 R617 L618 L623 I624 F625 T631 | M595-L621 HydrophobicContact CB-CD2 4.01Å; M595-L621 HydrophobicContact CG-CD2 3.88Å; I610-L621 HydrophobicContact CD1-CD1 3.86Å; I610-L621 HydrophobicContact CD1-CD2 4.32Å; I610-L621 HydrophobicContact CG1-CD1 4.21Å; I610-L621 HydrophobicContact CG2-CD1 4.09Å; R617-L621 HydrophobicContact CG-CD1 4.16Å; R617-L621 WeakPolarHBondContact O-CG 3.17Å; R617-L621 PolarHBondContact O-N 3.15Å; L618-L621 PolarHBondContact O-N 3.31Å; L621-L623 VanDerWaalsContact C-N 3.28Å; L621-L623 PolarHBondContact O-N 3.31Å; L621-I624 PolarHBondContact O-N 2.74Å; L621-I624 VanDerWaalsContact O-N 3.15Å; L621-F625 HydrophobicContact CD2-CE2 4.06Å; L621-F625 VanDerWaalsContact O-CD2 3.24Å; L621-F625 WeakPolarHBondContact O-CD2 3.35Å; L621-F625 PolarHBondContact O-N 3.01Å; L621-T631 HydrophobicContact CB-CG2 4.12Å |
| 622 | D | 96.4 | Very high | 95.2 | Very high | 71 Ų | 71 | 70.2 Ų | 70.2 | 38% | 0.38 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -54.5 | -44.4 | 176.1 | -169.1 | 67.3 | 0 | 0 | 0 | 112 | L618 D626 G627 T631 | L618-D622 WeakPolarHBondContact O-CB 3.18Å; L618-D622 PolarHBondContact O-N 3.1Å; D622-D626 PolarHBondContact O-N 3.46Å; D622-G627 PolarHBondContact O-N 3.48Å; D622-G627 VanDerWaalsContact O-N 3.17Å; D622-T631 HydrophobicContact CB-CG2 4.16Å |
| 623 | L | 94.7 | Very high | 95.3 | Very high | 139 Ų | 139 | 72.5 Ų | 72.5 | 73% | 0.728 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -67.2 | -43.5 | 175 | -70.3 | 169.5 | 0 | 0 | 0 | 113.3 | K619 Q620 L621 F625 D626 | K619-L623 WeakPolarHBondContact O-CG 3.42Å; K619-L623 PolarHBondContact O-N 3.13Å; Q620-L623 PolarHBondContact O-N 2.83Å; L621-L623 VanDerWaalsContact C-N 3.28Å; L621-L623 PolarHBondContact O-N 3.31Å; L623-F625 VanDerWaalsContact C-N 3.26Å; L623-F625 PolarHBondContact O-N 3.07Å; L623-D626 PolarHBondContact O-N 3.09Å |
| 624 | I | 94.4 | Very high | 95.3 | Very high | 96 Ų | 96 | 68.4 Ų | 68.4 | 49% | 0.492 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.3 | -36.5 | -179.2 | -73.8 | 164.5 | 0 | 0 | 0 | 111.4 | M595 Q620 L621 | M595-I624 HydrophobicContact SD-CD1 4.1Å; Q620-I624 WeakPolarHBondContact O-CD1 3.28Å; Q620-I624 VanDerWaalsContact O-CG1 3.22Å; Q620-I624 WeakPolarHBondContact O-CG1 3.2Å; Q620-I624 PolarHBondContact O-N 3.28Å; L621-I624 PolarHBondContact O-N 2.74Å; L621-I624 VanDerWaalsContact O-N 3.15Å |
| 625 | F | 96.1 | Very high | 95.4 | Very high | 22 Ų | 22 | 69.4 Ų | 69.4 | 10% | 0.096 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -97.8 | 0.1 | -176.5 | -70.9 | -74.2 | 0 | 0 | 0 | 113.7 | M595 A598 K599 L621 L623 G627 N628 I629 | M595-F625 HydrophobicContact CG-CE2 4.27Å; M595-F625 HydrophobicContact CG-CZ 4.38Å; A598-F625 HydrophobicContact CB-CZ 4.23Å; K599-F625 HydrophobicContact CB-CE1 3.91Å; K599-F625 HydrophobicContact CB-CZ 3.95Å; K599-F625 HydrophobicContact CG-CE1 4.38Å; L621-F625 HydrophobicContact CD2-CE2 4.06Å; L621-F625 VanDerWaalsContact O-CD2 3.24Å; L621-F625 WeakPolarHBondContact O-CD2 3.35Å; L621-F625 PolarHBondContact O-N 3.01Å; L623-F625 VanDerWaalsContact C-N 3.26Å; L623-F625 PolarHBondContact O-N 3.07Å; F625-G627 PolarHBondContact O-N 2.91Å; F625-N628 WeakPolarHBondContact O-CB 3.44Å; F625-N628 PolarHBondContact O-N 2.9Å; F625-N628 PolarHBondContact O-ND2 3.28Å; F625-I629 HydrophobicContact CB-CB 4.48Å; F625-I629 HydrophobicContact CB-CD1 4.14Å; F625-I629 HydrophobicContact CB-CG1 3.74Å; F625-I629 HydrophobicContact CB-CG2 4.24Å; F625-I629 HydrophobicContact CD1-CD1 4.34Å; F625-I629 HydrophobicContact CD1-CG2 4.06Å; F625-I629 HydrophobicContact CD2-CD1 3.17Å; F625-I629 HydrophobicContact CD2-CG1 3.79Å; F625-I629 HydrophobicContact CE2-CD1 3.56Å; F625-I629 HydrophobicContact CG-CD1 3.62Å; F625-I629 HydrophobicContact CG-CG1 3.78Å; F625-I629 HydrophobicContact CG-CG2 4.07Å; F625-I629 HydrophobicContact CZ-CD1 4.28Å |
| 626 | D | 93.2 | Very high | 95.3 | Very high | 138 Ų | 138 | 70.2 Ų | 70.2 | 74% | 0.738 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 45.2 | -179.5 | -165.3 | 34.8 | 0 | 0 | 0 | 111.9 | D622 L623 N628 | D622-D626 PolarHBondContact O-N 3.46Å; L623-D626 PolarHBondContact O-N 3.09Å; D626-N628 PolarHBondContact O-N 2.9Å |
| 627 | G | 88.7 | Confident | 95.4 | Very high | 49 Ų | 49 | 73.3 Ų | 73.3 | 51% | 0.505 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 3.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | D622 F625 I629 | D622-G627 PolarHBondContact O-N 3.48Å; D622-G627 VanDerWaalsContact O-N 3.17Å; F625-G627 PolarHBondContact O-N 2.91Å; G627-I629 PolarHBondContact O-N 3.45Å |
| 628 | N | 92.8 | Very high | 95.5 | Very high | 130 Ų | 130 | 72.5 Ų | 72.5 | 70% | 0.695 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -70.3 | -12 | 179.6 | -70.9 | -61.9 | 0 | 0 | 0 | 114 | F625 D626 | F625-N628 WeakPolarHBondContact O-CB 3.44Å; F625-N628 PolarHBondContact O-N 2.9Å; F625-N628 PolarHBondContact O-ND2 3.28Å; D626-N628 PolarHBondContact O-N 2.9Å |
| 629 | I | 96.3 | Very high | 95.6 | Very high | 6 Ų | 6 | 72.1 Ų | 72.1 | 3% | 0.031 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -122.3 | 149.6 | 171.9 | 73.4 | 172.2 | 0 | 0 | 0 | 109.6 | A598 A602 V608 I610 F625 G627 | A598-I629 HydrophobicContact CB-CD1 4.1Å; A602-I629 HydrophobicContact CB-CG2 3.96Å; V608-I629 HydrophobicContact CB-CB 4.18Å; V608-I629 HydrophobicContact CB-CG2 3.93Å; V608-I629 HydrophobicContact CG1-CB 4.39Å; V608-I629 HydrophobicContact CG1-CG2 4.26Å; I610-I629 HydrophobicContact CB-CD1 4.27Å; I610-I629 HydrophobicContact CG2-CD1 3.55Å; I610-I629 HydrophobicContact CG2-CG1 4.34Å; F625-I629 HydrophobicContact CB-CB 4.48Å; F625-I629 HydrophobicContact CB-CD1 4.14Å; F625-I629 HydrophobicContact CB-CG1 3.74Å; F625-I629 HydrophobicContact CB-CG2 4.24Å; F625-I629 HydrophobicContact CD1-CD1 4.34Å; F625-I629 HydrophobicContact CD1-CG2 4.06Å; F625-I629 HydrophobicContact CD2-CD1 3.17Å; F625-I629 HydrophobicContact CD2-CG1 3.79Å; F625-I629 HydrophobicContact CE2-CD1 3.56Å; F625-I629 HydrophobicContact CG-CD1 3.62Å; F625-I629 HydrophobicContact CG-CG1 3.78Å; F625-I629 HydrophobicContact CG-CG2 4.07Å; F625-I629 HydrophobicContact CZ-CD1 4.28Å; G627-I629 PolarHBondContact O-N 3.45Å |
| 630 | Q | 97.9 | Very high | 95.7 | Very high | 105 Ų | 105 | 69.5 Ų | 69.5 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 128.6 | 172.8 | -179.3 | 176.7 | -10.4 | 0 | 0 | 110.1 | V608 T609 I610 | V608-Q630 PolarHBondContact O-N 3.17Å; T609-Q630 CarbonylContact C-O 3.55Å; T609-Q630 WeakPolarHBondContact CA-O 3.5Å; T609-Q630 HydrophobicContact CG2-CB 4.33Å; T609-Q630 HydrophobicContact CG2-CG 4.15Å; T609-Q630 PolarHBondContact OG1-OE1 3.28Å; I610-Q630 PolarHBondContact N-O 2.81Å |
| 631 | T | 97.9 | Very high | 95.8 | Very high | 42 Ų | 42 | 68 Ų | 68 | 26% | 0.258 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 136.8 | 167.8 | 59.2 | 0 | 0 | 0 | 0 | 109.7 | I610 L621 D622 | I610-T631 HydrophobicContact CG2-CG2 3.92Å; I610-T631 WeakPolarHBondContact O-CA 3.44Å; L621-T631 HydrophobicContact CB-CG2 4.12Å; D622-T631 HydrophobicContact CB-CG2 4.16Å |
| 632 | L | 97.8 | Very high | 95.9 | Very high | 35 Ų | 35 | 69 Ų | 69 | 18% | 0.183 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 140.3 | -176.7 | -173.5 | 62.2 | 0 | 0 | 0 | 111.7 | T609 I610 M611 D612 S634 N638 V642 | T609-L632 HydrophobicContact CG2-CB 3.94Å; T609-L632 HydrophobicContact CG2-CD2 4.15Å; I610-L632 PolarHBondContact O-N 3.17Å; M611-L632 VanDerWaalsContact CA-O 3.24Å; M611-L632 WeakPolarHBondContact CA-O 3.46Å; M611-L632 HydrophobicContact CE-CD2 3.88Å; M611-L632 HydrophobicContact CE-CG 4.13Å; M611-L632 HydrophobicContact CG-CB 4.33Å; D612-L632 PolarHBondContact N-O 2.78Å; L632-S634 PolarHBondContact O-N 3.47Å; L632-N638 HydrophobicContact CD2-CB 4.09Å; L632-N638 HydrophobicContact CG-CB 4.26Å; L632-V642 HydrophobicContact CD2-CG1 3.47Å; L632-V642 VanDerWaalsContact CD2-CG1 3.47Å |
| 633 | M | 97.9 | Very high | 96 | Very high | 75 Ų | 75 | 65.7 Ų | 65.7 | 37% | 0.369 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 129.7 | 176.6 | -175.4 | 63.4 | 110.7 | 0 | 0 | 110.8 | V615 N635 N638 | V615-M633 HydrophobicContact CG2-CE 3.48Å; V615-M633 VanDerWaalsContact CG2-CE 3.48Å; V615-M633 HydrophobicContact CG2-SD 4.42Å; M633-N635 PolarHBondContact O-N 2.93Å; M633-N638 WeakPolarHBondContact O-CB 3.06Å; M633-N638 PolarHBondContact O-ND2 3.47Å |
| 634 | S | 96 | Very high | 96.1 | Very high | 19 Ų | 19 | 63.5 Ų | 63.5 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | trans | -82 | 96 | 177.2 | -166.4 | 0 | 0 | 0 | 0 | 111 | D612 L632 | D612-S634 PolarHBondContact O-N 3.42Å; L632-S634 PolarHBondContact O-N 3.47Å | ||
| 635 | N | 94.6 | Very high | 96.3 | Very high | 67 Ų | 67 | 62.9 Ų | 62.9 | 36% | 0.358 | 34% | 0.335 | S | S | . | . | trans | -133.8 | 161.6 | 168.3 | 61.7 | 57 | 0 | 0 | 0 | 108.8 | M633 Y637 N638 I639 | M633-N635 PolarHBondContact O-N 2.93Å; N635-Y637 PolarHBondContact O-N 2.91Å; N635-Y637 VanDerWaalsContact O-N 3.16Å; N635-Y637 PolarHBondContact OD1-N 3.5Å; N635-N638 PolarHBondContact ND2-ND2 3.4Å; N635-N638 VanDerWaalsContact ND2-ND2 3.14Å; N635-N638 PolarHBondContact O-N 3.28Å; N635-N638 VanDerWaalsContact O-N 3.12Å; N635-N638 WeakPolarHBondContact OD1-CB 3.37Å; N635-N638 PolarHBondContact OD1-N 3.05Å; N635-I639 WeakPolarHBondContact O-CG1 3.41Å; N635-I639 PolarHBondContact O-N 3.25Å | ||
| 636 | S | 93.3 | Very high | 96.4 | Very high | 86 Ų | 86 | 61.9 Ų | 61.9 | 60% | 0.601 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -54.6 | -39 | -173.1 | -51.1 | 0 | 0 | 0 | 0 | 113.2 | Q640 | S636-Q640 WeakPolarHBondContact O-CB 3.16Å; S636-Q640 PolarHBondContact O-N 3.19Å |
| 637 | Y | 96.7 | Very high | 96.6 | Very high | 153 Ų | 153 | 55.7 Ų | 55.7 | 60% | 0.6 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -64.6 | -51.8 | 177.6 | 179.3 | -91.4 | 0 | 0 | 0 | 111.7 | N635 I639 Q640 E641 | N635-Y637 PolarHBondContact O-N 2.91Å; N635-Y637 VanDerWaalsContact O-N 3.16Å; N635-Y637 PolarHBondContact OD1-N 3.5Å; Y637-I639 VanDerWaalsContact C-N 3.35Å; Y637-I639 PolarHBondContact O-N 3.29Å; Y637-Q640 PolarHBondContact O-N 2.96Å; Y637-E641 HydrophobicContact CD1-CG 4.25Å; Y637-E641 HydrophobicContact CE1-CG 3.79Å; Y637-E641 HydrophobicContact CE2-CG 4.35Å; Y637-E641 WeakPolarHBondContact O-CG 3.27Å; Y637-E641 PolarHBondContact O-N 3.42Å |
| 638 | N | 97.8 | Very high | 97.1 | Very high | 33 Ų | 33 | 53.4 Ų | 53.4 | 18% | 0.176 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.4 | -40.5 | -179.1 | -75.7 | -9.9 | 0 | 0 | 0 | 112 | M611 L632 M633 N635 E641 V642 | M611-N638 HydrophobicContact CE-CB 3.61Å; L632-N638 HydrophobicContact CD2-CB 4.09Å; L632-N638 HydrophobicContact CG-CB 4.26Å; M633-N638 WeakPolarHBondContact O-CB 3.06Å; M633-N638 PolarHBondContact O-ND2 3.47Å; N635-N638 PolarHBondContact ND2-ND2 3.4Å; N635-N638 VanDerWaalsContact ND2-ND2 3.14Å; N635-N638 PolarHBondContact O-N 3.28Å; N635-N638 VanDerWaalsContact O-N 3.12Å; N635-N638 WeakPolarHBondContact OD1-CB 3.37Å; N635-N638 PolarHBondContact OD1-N 3.05Å; N638-E641 PolarHBondContact O-N 2.88Å; N638-V642 WeakPolarHBondContact O-CG2 3.37Å; N638-V642 PolarHBondContact O-N 3Å; N638-V642 VanDerWaalsContact O-N 3.1Å |
| 639 | I | 97.7 | Very high | 97.4 | Very high | 6 Ų | 6 | 47.2 Ų | 47.2 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.8 | -52.2 | 175.7 | -68.2 | 171.9 | 0 | 0 | 0 | 108.8 | I588 M611 N635 Y637 E641 V642 L643 V664 M668 | I588-I639 HydrophobicContact CD1-CG2 4.24Å; M611-I639 HydrophobicContact CE-CB 4.45Å; M611-I639 HydrophobicContact CE-CG1 3.78Å; M611-I639 HydrophobicContact SD-CG1 4.04Å; N635-I639 WeakPolarHBondContact O-CG1 3.41Å; N635-I639 PolarHBondContact O-N 3.25Å; Y637-I639 VanDerWaalsContact C-N 3.35Å; Y637-I639 PolarHBondContact O-N 3.29Å; I639-E641 VanDerWaalsContact C-N 3.32Å; I639-E641 PolarHBondContact O-N 3.04Å; I639-V642 WeakPolarHBondContact O-CG2 3.32Å; I639-V642 PolarHBondContact O-N 3.34Å; I639-L643 HydrophobicContact CG2-CD1 3.61Å; I639-L643 HydrophobicContact CG2-CG 4.23Å; I639-L643 WeakPolarHBondContact O-CB 3.29Å; I639-L643 WeakPolarHBondContact O-CG 3.47Å; I639-L643 PolarHBondContact O-N 3.28Å; I639-L643 VanDerWaalsContact O-N 3.12Å; I639-V664 HydrophobicContact CG2-CG2 4.16Å; I639-M668 HydrophobicContact CG2-SD 3.79Å |
| 640 | Q | 97.4 | Very high | 97.5 | Very high | 87 Ų | 87 | 46.9 Ų | 46.9 | 41% | 0.407 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.9 | -41 | -179.5 | -174.3 | 174.7 | 7.4 | 0 | 0 | 112.8 | S636 Y637 K644 M668 | S636-Q640 WeakPolarHBondContact O-CB 3.16Å; S636-Q640 PolarHBondContact O-N 3.19Å; Y637-Q640 PolarHBondContact O-N 2.96Å; Q640-K644 WeakPolarHBondContact O-CG 3.45Å; Q640-M668 HydrophobicContact CB-CE 4.09Å; Q640-M668 HydrophobicContact CB-CG 4.33Å; Q640-M668 HydrophobicContact CB-SD 4.37Å; Q640-M668 HydrophobicContact CG-CG 4.34Å |
| 641 | E | 98.1 | Very high | 97.5 | Very high | 70 Ų | 70 | 41.9 Ų | 41.9 | 33% | 0.327 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68.2 | -45.2 | -179.7 | -71.9 | -50.8 | 126.5 | 0 | 0 | 113 | Y637 N638 I639 L643 K644 | Y637-E641 HydrophobicContact CD1-CG 4.25Å; Y637-E641 HydrophobicContact CE1-CG 3.79Å; Y637-E641 HydrophobicContact CE2-CG 4.35Å; Y637-E641 WeakPolarHBondContact O-CG 3.27Å; Y637-E641 PolarHBondContact O-N 3.42Å; N638-E641 PolarHBondContact O-N 2.88Å; I639-E641 VanDerWaalsContact C-N 3.32Å; I639-E641 PolarHBondContact O-N 3.04Å; E641-L643 VanDerWaalsContact C-N 3.33Å; E641-L643 PolarHBondContact O-N 3.28Å; E641-K644 PolarHBondContact O-N 3.36Å; E641-K644 IonicContact OE1-NZ 2.79Å; E641-K644 PolarHBondContact OE1-NZ 3Å; E641-K644 IonicContact OE2-NZ 2.67Å; E641-K644 PolarHBondContact OE2-NZ 2.9Å |
| 642 | V | 97.8 | Very high | 97.4 | Very high | 20 Ų | 20 | 40.4 Ų | 40.4 | 12% | 0.121 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.7 | -28.5 | -178.2 | -60.2 | 0 | 0 | 0 | 0 | 112.8 | V586 T609 M611 L632 N638 I639 K644 T645 A646 | V586-V642 HydrophobicContact CG1-CG2 3.74Å; V586-V642 HydrophobicContact CG2-CB 4.03Å; V586-V642 HydrophobicContact CG2-CG2 3.98Å; T609-V642 HydrophobicContact CG2-CG1 4.42Å; M611-V642 HydrophobicContact CE-CG2 4.3Å; M611-V642 HydrophobicContact SD-CG2 3.63Å; L632-V642 HydrophobicContact CD2-CG1 3.47Å; L632-V642 VanDerWaalsContact CD2-CG1 3.47Å; N638-V642 WeakPolarHBondContact O-CG2 3.37Å; N638-V642 PolarHBondContact O-N 3Å; N638-V642 VanDerWaalsContact O-N 3.1Å; I639-V642 WeakPolarHBondContact O-CG2 3.32Å; I639-V642 PolarHBondContact O-N 3.34Å; V642-K644 VanDerWaalsContact C-N 3.26Å; V642-K644 PolarHBondContact O-N 2.95Å; V642-T645 PolarHBondContact O-N 2.61Å; V642-T645 PolarHBondContact O-OG1 3.12Å; V642-A646 PolarHBondContact O-N 3.22Å |
| 643 | L | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.2 | -27 | 178.6 | -72.5 | 177.6 | 0 | 0 | 0 | 112.9 | I639 E641 T645 A646 V649 V664 M668 M672 P673 | I639-L643 HydrophobicContact CG2-CD1 3.61Å; I639-L643 HydrophobicContact CG2-CG 4.23Å; I639-L643 WeakPolarHBondContact O-CB 3.29Å; I639-L643 WeakPolarHBondContact O-CG 3.47Å; I639-L643 PolarHBondContact O-N 3.28Å; I639-L643 VanDerWaalsContact O-N 3.12Å; E641-L643 VanDerWaalsContact C-N 3.33Å; E641-L643 PolarHBondContact O-N 3.28Å; L643-T645 PolarHBondContact O-N 3.27Å; L643-T645 VanDerWaalsContact O-N 3.14Å; L643-A646 PolarHBondContact O-N 3.5Å; L643-V649 HydrophobicContact CD2-CB 4.21Å; L643-V649 HydrophobicContact CD2-CG1 3.7Å; L643-V649 HydrophobicContact CD2-CG2 3.41Å; L643-V649 VanDerWaalsContact CD2-CG2 3.41Å; L643-V664 HydrophobicContact CD1-CG1 3.61Å; L643-V664 HydrophobicContact CD1-CG2 4.37Å; L643-M668 HydrophobicContact CD1-CB 3.97Å; L643-M668 HydrophobicContact CD1-SD 4.46Å; L643-M672 HydrophobicContact CB-CG 4.11Å; L643-M672 HydrophobicContact CD2-SD 4.29Å; L643-P673 WeakPolarHBondContact O-CD 3.23Å |
| 644 | K | 98 | Very high | 96.7 | Very high | 94 Ų | 94 | 39.9 Ų | 39.9 | 41% | 0.409 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.4 | 178.4 | -66.9 | 173.4 | -169.7 | 171.2 | 0 | 113.6 | Q640 E641 V642 P673 | Q640-K644 WeakPolarHBondContact O-CG 3.45Å; E641-K644 PolarHBondContact O-N 3.36Å; E641-K644 IonicContact OE1-NZ 2.79Å; E641-K644 PolarHBondContact OE1-NZ 3Å; E641-K644 IonicContact OE2-NZ 2.67Å; E641-K644 PolarHBondContact OE2-NZ 2.9Å; V642-K644 VanDerWaalsContact C-N 3.26Å; V642-K644 PolarHBondContact O-N 2.95Å; K644-P673 WeakPolarHBondContact O-CG 3.39Å |
| 645 | T | 97.2 | Very high | 96.2 | Very high | 83 Ų | 83 | 42.4 Ų | 42.4 | 51% | 0.509 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117 | 0.3 | -177.4 | 59.6 | 0 | 0 | 0 | 0 | 113.3 | N584 V642 L643 D647 | N584-T645 WeakPolarHBondContact CB-O 3.39Å; N584-T645 PolarHBondContact ND2-O 2.9Å; V642-T645 PolarHBondContact O-N 2.61Å; V642-T645 PolarHBondContact O-OG1 3.12Å; L643-T645 PolarHBondContact O-N 3.27Å; L643-T645 VanDerWaalsContact O-N 3.14Å; T645-D647 PolarHBondContact O-N 3.01Å |
| 646 | A | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -74.4 | 124.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V586 V642 L643 V649 P673 S676 | V586-A646 HydrophobicContact CB-CB 4.29Å; V586-A646 HydrophobicContact CG2-CB 3.72Å; V642-A646 PolarHBondContact O-N 3.22Å; L643-A646 PolarHBondContact O-N 3.5Å; A646-V649 HydrophobicContact CB-CG2 3.54Å; A646-P673 WeakPolarHBondContact O-CD 2.99Å; A646-P673 WeakPolarHBondContact O-CG 3.36Å; A646-S676 WeakPolarHBondContact O-CB 2.81Å | ||
| 647 | D | 98.5 | Very high | 94.6 | Very high | 9 Ų | 9 | 38.7 Ų | 38.7 | 5% | 0.048 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -82.1 | -37 | 169.5 | -61.8 | -59 | 0 | 0 | 0 | 110.4 | L563 R570 V572 G583 N584 T645 S676 V677 | L563-D647 HydrophobicContact CD1-CB 4.33Å; L563-D647 HydrophobicContact CD2-CB 4.05Å; L563-D647 WeakPolarHBondContact CD2-O 3.38Å; R570-D647 WeakPolarHBondContact CD-OD1 3.31Å; R570-D647 IonicContact CZ-OD1 2.68Å; R570-D647 IonicContact NE-OD1 2.68Å; R570-D647 IonicContact NH1-OD1 2.82Å; R570-D647 PolarHBondContact NH1-OD1 3.39Å; V572-D647 HydrophobicContact CG1-CB 4.48Å; G583-D647 WeakPolarHBondContact CA-OD2 3.43Å; N584-D647 PolarHBondContact N-OD2 3.2Å; N584-D647 PolarHBondContact O-N 2.98Å; T645-D647 PolarHBondContact O-N 3.01Å; D647-S676 WeakPolarHBondContact O-CA 3.23Å; D647-S676 WeakPolarHBondContact O-CB 3.29Å; D647-V677 PolarHBondContact O-N 3.1Å |
| 648 | L | 98.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 133.5 | 175.9 | 169.3 | 63.5 | 0 | 0 | 0 | 110.3 | L563 L574 N584 V585 V586 I650 V677 V679 | L563-L648 HydrophobicContact CD1-CB 3.92Å; L574-L648 HydrophobicContact CD1-CD2 4.5Å; N584-L648 PolarHBondContact O-N 3.05Å; V585-L648 CarbonylContact C-O 3.54Å; V585-L648 WeakPolarHBondContact CA-O 3.44Å; V585-L648 HydrophobicContact CG1-CD2 4.17Å; V585-L648 HydrophobicContact CG1-CG 4.28Å; V585-L648 HydrophobicContact CG2-CB 4.23Å; V585-L648 HydrophobicContact CG2-CD2 4.16Å; V586-L648 PolarHBondContact N-O 3.14Å; L648-I650 HydrophobicContact CD1-CG1 4.24Å; L648-I650 HydrophobicContact CD2-CD1 4.19Å; L648-I650 HydrophobicContact CD2-CG1 4.4Å; L648-I650 HydrophobicContact CG-CD1 4.46Å; L648-I650 HydrophobicContact CG-CG1 4.15Å; L648-V677 CarbonylContact C-O 3.39Å; L648-V677 WeakPolarHBondContact CA-O 3.5Å; L648-V677 HydrophobicContact CD1-CB 3.98Å; L648-V677 HydrophobicContact CD1-CG1 3.91Å; L648-V679 HydrophobicContact CD1-CG2 3.85Å |
| 649 | V | 98.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 131 | 174.1 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | V586 I588 L643 A646 M672 V677 I678 V679 F689 | V586-V649 HydrophobicContact CB-CG2 4.46Å; V586-V649 CarbonylContact O-C 3.43Å; V586-V649 VanDerWaalsContact O-CA 3.32Å; V586-V649 WeakPolarHBondContact O-CA 3.49Å; I588-V649 HydrophobicContact CD1-CG1 4.14Å; I588-V649 HydrophobicContact CG1-CG1 4.48Å; L643-V649 HydrophobicContact CD2-CB 4.21Å; L643-V649 HydrophobicContact CD2-CG1 3.7Å; L643-V649 HydrophobicContact CD2-CG2 3.41Å; L643-V649 VanDerWaalsContact CD2-CG2 3.41Å; A646-V649 HydrophobicContact CB-CG2 3.54Å; V649-M672 HydrophobicContact CB-CE 4.3Å; V649-M672 HydrophobicContact CG2-CE 3.39Å; V649-M672 HydrophobicContact CG2-SD 4.3Å; V649-V677 PolarHBondContact N-O 3.43Å; V649-I678 HydrophobicContact CB-CG1 4.21Å; V649-I678 CarbonylContact O-C 3.49Å; V649-I678 WeakPolarHBondContact O-CA 3.37Å; V649-V679 PolarHBondContact O-N 3.19Å; V649-F689 HydrophobicContact CG1-CE1 3.84Å; V649-F689 HydrophobicContact CG1-CZ 3.84Å |
| 650 | I | 98.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 115.7 | 178.5 | -59.4 | 173.8 | 0 | 0 | 0 | 108.6 | A555 A556 V585 V586 V587 I588 A597 L648 V679 V681 | A555-I650 HydrophobicContact CB-CD1 3.97Å; A555-I650 HydrophobicContact CB-CG1 4.32Å; A555-I650 HydrophobicContact CB-CG2 3.8Å; A556-I650 HydrophobicContact CB-CD1 4.45Å; V585-I650 HydrophobicContact CG1-CD1 4.33Å; V586-I650 PolarHBondContact O-N 3.14Å; V587-I650 HydrophobicContact CG2-CB 4.43Å; I588-I650 PolarHBondContact N-O 2.81Å; A597-I650 HydrophobicContact CB-CD1 3.83Å; A597-I650 HydrophobicContact CB-CG2 4.16Å; L648-I650 HydrophobicContact CD1-CG1 4.24Å; L648-I650 HydrophobicContact CD2-CD1 4.19Å; L648-I650 HydrophobicContact CD2-CG1 4.4Å; L648-I650 HydrophobicContact CG-CD1 4.46Å; L648-I650 HydrophobicContact CG-CG1 4.15Å; I650-V679 WeakPolarHBondContact CA-O 3.09Å; I650-V679 HydrophobicContact CG1-CB 4.38Å; I650-V681 HydrophobicContact CG2-CG2 3.88Å |
| 651 | G | 97.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 114.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V679 V681 | G651-V679 PolarHBondContact N-O 2.69Å; G651-V681 VanDerWaalsContact O-CB 3.27Å; G651-V681 WeakPolarHBondContact O-CB 3.5Å; G651-V681 PolarHBondContact O-N 3.3Å |
| 652 | A | 96.5 | Very high | 92.3 | Very high | 10 Ų | 10 | 38.9 Ų | 38.9 | 8% | 0.083 | 21% | 0.207 | C | C | . | . | trans | -133 | 22.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113 | V587 I588 V593 | V587-A652 HydrophobicContact CG1-CB 4.41Å; I588-A652 CarbonylContact O-C 3.43Å; I588-A652 WeakPolarHBondContact O-CA 3.44Å; I588-A652 WeakPolarHBondContact O-CB 3.13Å; I588-A652 PolarHBondContact O-N 3.02Å; V593-A652 HydrophobicContact CB-CB 3.92Å; V593-A652 HydrophobicContact CG1-CB 3.56Å | ||
| 653 | V | 93.4 | Very high | 92.2 | Very high | 30 Ų | 30 | 40.8 Ų | 40.8 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | trans | -89.3 | 127 | 178.6 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | I588 P661 L663 A682 I688 | I588-V653 HydrophobicContact CG2-CG2 4.03Å; I588-V653 WeakPolarHBondContact O-CG2 3.29Å; I588-V653 PolarHBondContact O-N 3.39Å; V653-P661 HydrophobicContact CG1-CG 4.07Å; V653-L663 HydrophobicContact CB-CD1 4.07Å; V653-L663 HydrophobicContact CG1-CD1 4.17Å; V653-L663 HydrophobicContact CG2-CD1 3.65Å; V653-A682 VanDerWaalsContact O-CB 3.31Å; V653-A682 WeakPolarHBondContact O-CB 3.34Å; V653-I688 HydrophobicContact CB-CG2 4.06Å | ||
| 654 | L | 87.3 | Confident | 92.2 | Very high | 69 Ų | 69 | 40.8 Ų | 40.8 | 36% | 0.361 | 22% | 0.216 | S | C | . | . | trans | -130.3 | 134.7 | 174.3 | 174.7 | 73.7 | 0 | 0 | 0 | 108.3 | L541 L544 Q685 | L541-L654 HydrophobicContact CD1-CD2 4.46Å; L544-L654 HydrophobicContact CD2-CD2 3.4Å; L654-Q685 HydrophobicContact CD1-CG 3.81Å | ||
| 655 | I | 85.2 | Confident | 92.1 | Very high | 72 Ų | 72 | 37.8 Ų | 37.8 | 37% | 0.369 | 21% | 0.207 | S | C | . | . | trans | -110.4 | 114.5 | 167.1 | -56.8 | 178.1 | 0 | 0 | 0 | 106.6 | G657 H658 P661 | I655-G657 PolarHBondContact O-N 2.94Å; I655-H658 HydrophobicContact CB-CB 4.06Å; I655-H658 HydrophobicContact CG2-CB 3.93Å; I655-H658 PolarHBondContact O-N 3.46Å; I655-H658 VanDerWaalsContact O-N 3.08Å; I655-P661 HydrophobicContact CD1-CG 3.99Å | ||
| 656 | P | 80.3 | Confident | 92.1 | Very high | 66 Ų | 66 | 38.1 Ų | 38.1 | 43% | 0.429 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 126.8 | -175.9 | -27.2 | 35.1 | 0 | 0 | 0 | 112.5 | L541 H658 | L541-P656 HydrophobicContact CD1-CB 4.25Å; L541-P656 HydrophobicContact CD1-CG 4.03Å; P656-H658 PolarHBondContact O-N 2.98Å |
| 657 | G | 74.1 | Confident | 92 | Very high | 9 Ų | 9 | 44.1 Ų | 44.1 | 9% | 0.093 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | -7.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116 | I655 A769 | I655-G657 PolarHBondContact O-N 2.94Å; G657-A769 WeakPolarHBondContact O-CB 3.38Å |
| 658 | H | 85.4 | Confident | 91.9 | Very high | 63 Ų | 63 | 44.7 Ų | 44.7 | 29% | 0.292 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -111.9 | 159.3 | -179.9 | -73 | -80.9 | 0 | 0 | 0 | 112.2 | I655 P656 A769 D773 | I655-H658 HydrophobicContact CB-CB 4.06Å; I655-H658 HydrophobicContact CG2-CB 3.93Å; I655-H658 PolarHBondContact O-N 3.46Å; I655-H658 VanDerWaalsContact O-N 3.08Å; P656-H658 PolarHBondContact O-N 2.98Å; H658-A769 VanDerWaalsContact CE1-CB 3.42Å; H658-A769 WeakPolarHBondContact CE1-CB 3.5Å; H658-A769 WeakPolarHBondContact NE2-CB 3.35Å; H658-D773 VanDerWaalsContact CA-OD2 3.28Å; H658-D773 WeakPolarHBondContact CA-OD2 3.38Å; H658-D773 IonicContact ND1-OD1 2.73Å; H658-D773 IonicContact ND1-OD2 3.83Å |
| 659 | R | 85.2 | Confident | 91.9 | Very high | 155 Ų | 155 | 44.7 Ų | 44.7 | 59% | 0.585 | 23% | 0.232 | S | C | * | . | P | Polyproline II helix | trans | -58.4 | 142.8 | 163.2 | -165.4 | -178.7 | 176.5 | 174.3 | -1.2 | 110.6 | Q685 D773 | R659-Q685 WeakPolarHBondContact CG-O 3.38Å; R659-D773 PolarHBondContact N-OD2 3.28Å |
| 660 | A | 86.6 | Confident | 91.8 | Very high | 6 Ų | 6 | 47.7 Ų | 47.7 | 5% | 0.05 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 136.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A682 Q685 I688 | A660-A682 HydrophobicContact CB-CB 4.2Å; A660-Q685 HydrophobicContact CB-CB 4.11Å; A660-Q685 WeakPolarHBondContact CB-O 3.31Å; A660-Q685 PolarHBondContact N-O 3.24Å; A660-I688 HydrophobicContact CB-CG2 4.41Å |
| 661 | P | 90.3 | Very high | 91.7 | Very high | 37 Ų | 37 | 49.8 Ų | 49.8 | 24% | 0.24 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 139.6 | 176.8 | 30.8 | -34.2 | 0 | 0 | 0 | 110.5 | V653 I655 L663 I688 | V653-P661 HydrophobicContact CG1-CG 4.07Å; I655-P661 HydrophobicContact CD1-CG 3.99Å; P661-L663 HydrophobicContact CB-CD2 4.11Å; P661-L663 HydrophobicContact CB-CG 4.35Å; P661-L663 HydrophobicContact CG-CD1 4.32Å; P661-L663 HydrophobicContact CG-CD2 4.13Å; P661-L663 HydrophobicContact CG-CG 4.09Å; P661-L663 PolarHBondContact O-N 2.8Å; P661-I688 WeakPolarHBondContact O-CA 3.29Å |
| 662 | T | 92.7 | Very high | 91.7 | Very high | 92 Ų | 92 | 50.4 Ų | 50.4 | 56% | 0.564 | 28% | 0.278 | S | S | * | . | trans | -74.2 | 110.4 | 167.9 | -51.2 | 0 | 0 | 0 | 0 | 109.3 | E690 | T662-E690 HydrophobicContact CG2-CB 3.82Š| ||
| 663 | L | 95.1 | Very high | 91.8 | Very high | 61 Ų | 61 | 50.8 Ų | 50.8 | 32% | 0.319 | 28% | 0.279 | S | S | . | . | trans | -108.8 | -25.3 | -176.1 | -62.9 | 179.2 | 0 | 0 | 0 | 113.3 | I588 V653 P661 I688 | I588-L663 HydrophobicContact CG2-CD1 4.27Å; V653-L663 HydrophobicContact CB-CD1 4.07Å; V653-L663 HydrophobicContact CG1-CD1 4.17Å; V653-L663 HydrophobicContact CG2-CD1 3.65Å; P661-L663 HydrophobicContact CB-CD2 4.11Å; P661-L663 HydrophobicContact CB-CG 4.35Å; P661-L663 HydrophobicContact CG-CD1 4.32Å; P661-L663 HydrophobicContact CG-CD2 4.13Å; P661-L663 HydrophobicContact CG-CG 4.09Å; P661-L663 PolarHBondContact O-N 2.8Å; L663-I688 PolarHBondContact N-O 3.47Å | ||
| 664 | V | 97.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -114 | 111.6 | -177.7 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | I588 I639 L643 M668 V669 I688 F689 E690 | I588-V664 HydrophobicContact CD1-CG2 3.63Å; I639-V664 HydrophobicContact CG2-CG2 4.16Å; L643-V664 HydrophobicContact CD1-CG1 3.61Å; L643-V664 HydrophobicContact CD1-CG2 4.37Å; V664-M668 HydrophobicContact CG1-CB 3.76Å; V664-M668 HydrophobicContact CG1-SD 4.32Å; V664-V669 HydrophobicContact CG1-CG2 3.74Å; V664-I688 PolarHBondContact N-O 3.43Å; V664-I688 VanDerWaalsContact N-O 3.1Å; V664-F689 HydrophobicContact CB-CD1 3.53Å; V664-F689 HydrophobicContact CB-CE1 4.07Å; V664-F689 HydrophobicContact CB-CG 4.32Å; V664-F689 HydrophobicContact CG1-CD1 3.77Å; V664-F689 HydrophobicContact CG1-CE1 4.26Å; V664-F689 HydrophobicContact CG2-CD1 3.75Å; V664-F689 HydrophobicContact CG2-CE1 3.77Å; V664-E690 PolarHBondContact O-N 2.87Å |
| 665 | S | 96.7 | Very high | 92.4 | Very high | 31 Ų | 31 | 53.2 Ų | 53.2 | 22% | 0.217 | 29% | 0.285 | C | S | . | . | trans | -75.7 | 163 | -179.6 | 84.1 | 0 | 0 | 0 | 0 | 112 | E667 M668 V669 E690 | S665-E667 VanDerWaalsContact CB-OE2 3.29Å; S665-E667 WeakPolarHBondContact CB-OE2 3.07Å; S665-E667 PolarHBondContact O-N 3.2Å; S665-E667 PolarHBondContact OG-N 3.37Å; S665-E667 PolarHBondContact OG-OE2 3.46Å; S665-M668 WeakPolarHBondContact O-CB 3.48Å; S665-M668 PolarHBondContact O-N 3.1Å; S665-M668 VanDerWaalsContact O-N 3.08Å; S665-M668 PolarHBondContact OG-N 3.44Å; S665-V669 PolarHBondContact O-N 2.84Å; S665-V669 VanDerWaalsContact O-N 3.13Å; S665-E690 WeakPolarHBondContact CA-OE2 3.29Å | ||
| 666 | K | 96.6 | Very high | 93 | Very high | 90 Ų | 90 | 49.8 Ų | 49.8 | 39% | 0.391 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -54.4 | -39.1 | 173.7 | -173.5 | -173 | -179.9 | -171.4 | 0 | 112.7 | M668 V669 S670 E690 T691 E706 | K666-M668 VanDerWaalsContact C-N 3.34Å; K666-V669 PolarHBondContact O-N 2.73Å; K666-S670 WeakPolarHBondContact O-CB 3.12Å; K666-S670 PolarHBondContact O-N 3.29Å; K666-S670 PolarHBondContact O-OG 3.02Å; K666-E690 PolarHBondContact N-OE2 2.84Å; K666-T691 HydrophobicContact CB-CG2 4.32Å; K666-T691 HydrophobicContact CG-CG2 4.08Å; K666-E706 WeakPolarHBondContact CE-OE1 3.27Å; K666-E706 HydrophobicContact CG-CG 4.32Å; K666-E706 IonicContact NZ-OE1 2.6Å |
| 667 | E | 96.5 | Very high | 93.9 | Very high | 126 Ų | 126 | 46.6 Ų | 46.6 | 59% | 0.589 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -64.7 | -39.2 | 177.9 | -61.9 | 71.3 | -152.6 | 0 | 0 | 111.6 | S665 S670 G671 | S665-E667 VanDerWaalsContact CB-OE2 3.29Å; S665-E667 WeakPolarHBondContact CB-OE2 3.07Å; S665-E667 PolarHBondContact O-N 3.2Å; S665-E667 PolarHBondContact OG-N 3.37Å; S665-E667 PolarHBondContact OG-OE2 3.46Å; E667-S670 PolarHBondContact O-N 3.47Å; E667-G671 PolarHBondContact O-N 2.85Å |
| 668 | M | 97.8 | Very high | 95 | Very high | 22 Ų | 22 | 46.2 Ų | 46.2 | 11% | 0.108 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.8 | -43.3 | 175.8 | -65 | -173.9 | -179.3 | 0 | 0 | 111.2 | I639 Q640 L643 V664 S665 K666 S670 G671 | I639-M668 HydrophobicContact CG2-SD 3.79Å; Q640-M668 HydrophobicContact CB-CE 4.09Å; Q640-M668 HydrophobicContact CB-CG 4.33Å; Q640-M668 HydrophobicContact CB-SD 4.37Å; Q640-M668 HydrophobicContact CG-CG 4.34Å; L643-M668 HydrophobicContact CD1-CB 3.97Å; L643-M668 HydrophobicContact CD1-SD 4.46Å; V664-M668 HydrophobicContact CG1-CB 3.76Å; V664-M668 HydrophobicContact CG1-SD 4.32Å; S665-M668 WeakPolarHBondContact O-CB 3.48Å; S665-M668 PolarHBondContact O-N 3.1Å; S665-M668 VanDerWaalsContact O-N 3.08Å; S665-M668 PolarHBondContact OG-N 3.44Å; K666-M668 VanDerWaalsContact C-N 3.34Å; M668-S670 VanDerWaalsContact C-N 3.34Å; M668-G671 PolarHBondContact O-N 3.37Å |
| 669 | V | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.7 | -38.7 | 177.6 | -178.7 | 0 | 0 | 0 | 0 | 111.5 | V664 S665 K666 G671 M672 I678 T691 E706 V708 | V664-V669 HydrophobicContact CG1-CG2 3.74Å; S665-V669 PolarHBondContact O-N 2.84Å; S665-V669 VanDerWaalsContact O-N 3.13Å; K666-V669 PolarHBondContact O-N 2.73Å; V669-G671 PolarHBondContact O-N 3.28Å; V669-M672 HydrophobicContact CB-SD 4.45Å; V669-M672 HydrophobicContact CG1-SD 4.24Å; V669-M672 HydrophobicContact CG2-SD 4.49Å; V669-M672 VanDerWaalsContact O-CB 3.27Å; V669-M672 WeakPolarHBondContact O-CB 3.42Å; V669-M672 WeakPolarHBondContact O-CG 3.41Å; V669-M672 PolarHBondContact O-N 3.18Å; V669-I678 HydrophobicContact CG1-CD1 3.91Å; V669-I678 HydrophobicContact CG2-CD1 4.05Å; V669-T691 HydrophobicContact CB-CG2 3.91Å; V669-T691 HydrophobicContact CG1-CG2 4.02Å; V669-T691 HydrophobicContact CG2-CG2 4.03Å; V669-T691 WeakPolarHBondContact CG2-OG1 3.28Å; V669-E706 HydrophobicContact CG1-CB 4.17Å; V669-V708 HydrophobicContact CG1-CB 4.15Å; V669-V708 HydrophobicContact CG1-CG2 3.93Å |
| 670 | S | 96.5 | Very high | 96.2 | Very high | 62 Ų | 62 | 35.8 Ų | 35.8 | 43% | 0.434 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.1 | -23.6 | 176.4 | -54.6 | 0 | 0 | 0 | 0 | 113.1 | K666 E667 M668 | K666-S670 WeakPolarHBondContact O-CB 3.12Å; K666-S670 PolarHBondContact O-N 3.29Å; K666-S670 PolarHBondContact O-OG 3.02Å; E667-S670 PolarHBondContact O-N 3.47Å; M668-S670 VanDerWaalsContact C-N 3.34Å |
| 671 | G | 96.5 | Very high | 96.7 | Very high | 44 Ų | 44 | 36.3 Ų | 36.3 | 45% | 0.454 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -3.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | E667 M668 V669 | E667-G671 PolarHBondContact O-N 2.85Å; M668-G671 PolarHBondContact O-N 3.37Å; V669-G671 PolarHBondContact O-N 3.28Å |
| 672 | M | 98.2 | Very high | 96.7 | Very high | 14 Ų | 14 | 34.9 Ų | 34.9 | 7% | 0.069 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -74 | 157 | 178.4 | -67.5 | 177.9 | 56 | 0 | 0 | 111.6 | L643 V649 V669 S676 I678 V708 | L643-M672 HydrophobicContact CB-CG 4.11Å; L643-M672 HydrophobicContact CD2-SD 4.29Å; V649-M672 HydrophobicContact CB-CE 4.3Å; V649-M672 HydrophobicContact CG2-CE 3.39Å; V649-M672 HydrophobicContact CG2-SD 4.3Å; V669-M672 HydrophobicContact CB-SD 4.45Å; V669-M672 HydrophobicContact CG1-SD 4.24Å; V669-M672 HydrophobicContact CG2-SD 4.49Å; V669-M672 VanDerWaalsContact O-CB 3.27Å; V669-M672 WeakPolarHBondContact O-CB 3.42Å; V669-M672 WeakPolarHBondContact O-CG 3.41Å; V669-M672 PolarHBondContact O-N 3.18Å; M672-S676 WeakPolarHBondContact CE-OG 3.49Å; M672-I678 HydrophobicContact CE-CD1 4.17Å; M672-I678 HydrophobicContact CE-CG1 3.85Å; M672-I678 HydrophobicContact SD-CD1 3.85Å; M672-I678 HydrophobicContact SD-CG1 4.18Å; M672-V708 HydrophobicContact CB-CG2 4Å; M672-V708 HydrophobicContact CE-CG1 4.07Å; M672-V708 HydrophobicContact SD-CG2 4.49Å |
| 673 | P | 97.7 | Very high | 96.6 | Very high | 17 Ų | 17 | 31 Ų | 31 | 11% | 0.11 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -58.3 | 142.6 | 174.3 | -22.6 | 32.4 | 0 | 0 | 0 | 113 | R570 L643 K644 A646 H675 S676 | R570-P673 VanDerWaalsContact CZ-CB 3.45Å; L643-P673 WeakPolarHBondContact O-CD 3.23Å; K644-P673 WeakPolarHBondContact O-CG 3.39Å; A646-P673 WeakPolarHBondContact O-CD 2.99Å; A646-P673 WeakPolarHBondContact O-CG 3.36Å; P673-H675 PolarHBondContact O-N 2.83Å; P673-S676 VanDerWaalsContact O-CB 3.24Å; P673-S676 WeakPolarHBondContact O-CB 3.25Å; P673-S676 PolarHBondContact O-N 2.96Å; P673-S676 PolarHBondContact O-OG 3.07Å |
| 674 | F | 96.7 | Very high | 96 | Very high | 121 Ų | 121 | 30.3 Ų | 30.3 | 53% | 0.531 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 130.2 | 177.8 | -172.1 | -99.7 | 0 | 0 | 0 | 111.6 | S676 N707 | F674-S676 PolarHBondContact O-N 2.84Å; F674-N707 HydrophobicContact CD2-CB 3.47Å; F674-N707 VanDerWaalsContact CD2-CB 3.47Å; F674-N707 HydrophobicContact CE2-CB 3.58Å; F674-N707 HydrophobicContact CG-CB 4.48Å |
| 675 | H | 97.1 | Very high | 95.3 | Very high | 29 Ų | 29 | 30.7 Ų | 30.7 | 13% | 0.134 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 20.3 | -175.9 | -60.3 | 176 | 0 | 0 | 0 | 115.8 | R565 G569 R570 P673 N707 | R565-H675 PolarHBondContact NH1-CE1 3.35Å; R565-H675 VanDerWaalsContact NH1-CE1 3.27Å; R565-H675 PolarHBondContact NH1-ND1 2.98Å; G569-H675 CarbonylContact C-O 3.53Å; G569-H675 WeakPolarHBondContact CA-O 3.32Å; R570-H675 HydrophobicContact CB-CB 4.3Å; R570-H675 WeakPolarHBondContact CB-O 3.32Å; R570-H675 PolarHBondContact N-O 3.22Å; P673-H675 PolarHBondContact O-N 2.83Å; H675-N707 WeakPolarHBondContact CA-O 3.35Å; H675-N707 PolarHBondContact N-O 2.88Å |
| 676 | S | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -61.1 | 167.1 | 163.1 | 54 | 0 | 0 | 0 | 0 | 111.2 | A646 D647 M672 P673 F674 V708 V709 | A646-S676 WeakPolarHBondContact O-CB 2.81Å; D647-S676 WeakPolarHBondContact O-CA 3.23Å; D647-S676 WeakPolarHBondContact O-CB 3.29Å; M672-S676 WeakPolarHBondContact CE-OG 3.49Å; P673-S676 VanDerWaalsContact O-CB 3.24Å; P673-S676 WeakPolarHBondContact O-CB 3.25Å; P673-S676 PolarHBondContact O-N 2.96Å; P673-S676 PolarHBondContact O-OG 3.07Å; F674-S676 PolarHBondContact O-N 2.84Å; S676-V708 WeakPolarHBondContact O-CG1 3.49Å; S676-V709 PolarHBondContact O-N 3.33Å | ||
| 677 | V | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 134.6 | -175.3 | -178.9 | 0 | 0 | 0 | 0 | 110.4 | F562 L563 D647 L648 V649 V679 V709 | F562-V677 HydrophobicContact CB-CG1 4.11Å; F562-V677 HydrophobicContact CB-CG2 4.13Å; L563-V677 HydrophobicContact CB-CG2 4.49Å; L563-V677 HydrophobicContact CD2-CG2 4.03Å; L563-V677 HydrophobicContact CG-CB 4.48Å; L563-V677 HydrophobicContact CG-CG2 3.87Å; D647-V677 PolarHBondContact O-N 3.1Å; L648-V677 CarbonylContact C-O 3.39Å; L648-V677 WeakPolarHBondContact CA-O 3.5Å; L648-V677 HydrophobicContact CD1-CB 3.98Å; L648-V677 HydrophobicContact CD1-CG1 3.91Å; V649-V677 PolarHBondContact N-O 3.43Å; V677-V679 HydrophobicContact CG1-CG2 4.18Å; V677-V709 CarbonylContact C-O 3.57Å; V677-V709 WeakPolarHBondContact CA-O 3.41Å; V677-V709 HydrophobicContact CG2-CB 4.21Å |
| 678 | I | 98.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 130 | 166.1 | -72.8 | 169.1 | 0 | 0 | 0 | 108.5 | V649 V669 M672 F689 V708 V709 Y711 | V649-I678 HydrophobicContact CB-CG1 4.21Å; V649-I678 CarbonylContact O-C 3.49Å; V649-I678 WeakPolarHBondContact O-CA 3.37Å; V669-I678 HydrophobicContact CG1-CD1 3.91Å; V669-I678 HydrophobicContact CG2-CD1 4.05Å; M672-I678 HydrophobicContact CE-CD1 4.17Å; M672-I678 HydrophobicContact CE-CG1 3.85Å; M672-I678 HydrophobicContact SD-CD1 3.85Å; M672-I678 HydrophobicContact SD-CG1 4.18Å; I678-F689 HydrophobicContact CD1-CD1 3.86Å; I678-F689 HydrophobicContact CD1-CE1 4.06Å; I678-F689 HydrophobicContact CD1-CG 4.44Å; I678-F689 HydrophobicContact CG1-CD1 4.41Å; I678-F689 HydrophobicContact CG1-CE1 4.15Å; I678-F689 HydrophobicContact CG2-CD1 4.04Å; I678-F689 HydrophobicContact CG2-CD2 3.62Å; I678-F689 HydrophobicContact CG2-CE1 3.86Å; I678-F689 HydrophobicContact CG2-CE2 3.41Å; I678-F689 VanDerWaalsContact CG2-CE2 3.41Å; I678-F689 HydrophobicContact CG2-CG 3.96Å; I678-F689 HydrophobicContact CG2-CZ 3.56Å; I678-V708 HydrophobicContact CB-CG1 4.36Å; I678-V708 HydrophobicContact CD1-CG1 3.73Å; I678-V708 HydrophobicContact CG1-CG1 3.76Å; I678-V709 PolarHBondContact N-O 3.13Å; I678-Y711 PolarHBondContact O-N 2.81Å |
| 679 | V | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 105.1 | 167.3 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | A555 L648 V649 I650 G651 V677 V681 Y711 M716 | A555-V679 HydrophobicContact CB-CG1 3.83Å; L648-V679 HydrophobicContact CD1-CG2 3.85Å; V649-V679 PolarHBondContact O-N 3.19Å; I650-V679 WeakPolarHBondContact CA-O 3.09Å; I650-V679 HydrophobicContact CG1-CB 4.38Å; G651-V679 PolarHBondContact N-O 2.69Å; V677-V679 HydrophobicContact CG1-CG2 4.18Å; V679-V681 HydrophobicContact CG1-CG2 4.08Å; V679-V681 PolarHBondContact O-N 3.11Å; V679-Y711 HydrophobicContact CG1-CD1 3.9Å; V679-M716 HydrophobicContact CG1-CE 4.11Å |
| 680 | D | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 91.3 | 179.1 | -164 | -2.6 | 0 | 0 | 0 | 110.1 | A682 I683 G687 I688 F689 T692 Y711 | D680-A682 VanDerWaalsContact C-N 3.27Å; D680-A682 PolarHBondContact O-N 2.96Å; D680-I683 WeakPolarHBondContact O-CB 3.34Å; D680-I683 WeakPolarHBondContact O-CG2 3.42Å; D680-I683 PolarHBondContact O-N 2.85Å; D680-G687 WeakPolarHBondContact OD2-CA 3.27Å; D680-I688 PolarHBondContact OD1-N 3.25Å; D680-I688 PolarHBondContact OD2-N 2.94Å; D680-F689 HydrophobicContact CB-CD2 3.75Å; D680-F689 HydrophobicContact CB-CE2 3.83Å; D680-F689 VanDerWaalsContact CG-CD2 3.46Å; D680-F689 WeakPolarHBondContact OD2-CD2 3.36Å; D680-T692 HydrophobicContact CB-CG2 4.21Å; D680-T692 WeakPolarHBondContact OD2-CB 3.4Å; D680-T692 PolarHBondContact OD2-OG1 2.87Å; D680-Y711 PolarHBondContact N-O 2.8Å |
| 681 | V | 96 | Very high | 94 | Very high | 17 Ų | 17 | 21.2 Ų | 21.2 | 10% | 0.103 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -70.8 | -28.7 | -177.2 | -173.5 | 0 | 0 | 0 | 0 | 111.1 | A551 A555 V593 I650 G651 V679 I683 M716 | A551-V681 HydrophobicContact CB-CG1 3.74Å; A555-V681 HydrophobicContact CB-CG2 3.79Å; V593-V681 HydrophobicContact CG1-CB 4.01Å; V593-V681 HydrophobicContact CG1-CG1 3.74Å; V593-V681 HydrophobicContact CG1-CG2 4.05Å; V593-V681 HydrophobicContact CG2-CG1 4.33Å; I650-V681 HydrophobicContact CG2-CG2 3.88Å; G651-V681 VanDerWaalsContact O-CB 3.27Å; G651-V681 WeakPolarHBondContact O-CB 3.5Å; G651-V681 PolarHBondContact O-N 3.3Å; V679-V681 HydrophobicContact CG1-CG2 4.08Å; V679-V681 PolarHBondContact O-N 3.11Å; V681-I683 PolarHBondContact O-N 2.91Å; V681-M716 HydrophobicContact CB-SD 4.44Å; V681-M716 HydrophobicContact CG1-SD 4.12Å; V681-M716 HydrophobicContact CG2-SD 4.13Å |
| 682 | A | 91.8 | Very high | 93.8 | Very high | 7 Ų | 7 | 19.6 Ų | 19.6 | 6% | 0.058 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -83.2 | 13.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V653 A660 D680 D684 Q685 G686 G687 I688 | V653-A682 VanDerWaalsContact O-CB 3.31Å; V653-A682 WeakPolarHBondContact O-CB 3.34Å; A660-A682 HydrophobicContact CB-CB 4.2Å; D680-A682 VanDerWaalsContact C-N 3.27Å; D680-A682 PolarHBondContact O-N 2.96Å; A682-D684 PolarHBondContact O-N 2.88Å; A682-Q685 CarbonylContact O-C 3.54Å; A682-Q685 PolarHBondContact O-N 2.79Å; A682-G686 PolarHBondContact O-N 3.3Å; A682-G687 WeakPolarHBondContact O-CA 3.49Å; A682-G687 PolarHBondContact O-N 3.21Å; A682-I688 HydrophobicContact CB-CG2 4.07Å |
| 683 | I | 90.6 | Very high | 93.1 | Very high | 10 Ų | 10 | 24.5 Ų | 24.5 | 5% | 0.051 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -63.3 | -27.5 | -176.8 | -170.6 | 55.9 | 0 | 0 | 0 | 113.3 | D680 V681 Q685 G686 T692 V695 A712 A714 | D680-I683 WeakPolarHBondContact O-CB 3.34Å; D680-I683 WeakPolarHBondContact O-CG2 3.42Å; D680-I683 PolarHBondContact O-N 2.85Å; V681-I683 PolarHBondContact O-N 2.91Å; I683-Q685 PolarHBondContact O-N 3.05Å; I683-G686 PolarHBondContact O-N 3.39Å; I683-T692 HydrophobicContact CD1-CG2 3.51Å; I683-T692 HydrophobicContact CG1-CG2 4.31Å; I683-V695 HydrophobicContact CD1-CG2 4.26Å; I683-V695 HydrophobicContact CG1-CG1 4.49Å; I683-V695 HydrophobicContact CG1-CG2 4.01Å; I683-A712 HydrophobicContact CG1-CB 4.09Å; I683-A714 HydrophobicContact CG2-CB 4.15Å |
| 684 | D | 82.5 | Confident | 92.6 | Very high | 46 Ų | 46 | 29.8 Ų | 29.8 | 25% | 0.246 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -62.6 | -23 | 173.7 | 63.9 | -27.8 | 0 | 0 | 0 | 112.9 | H510 A682 A714 | H510-D684 IonicContact CE1-OD2 3.05Å; H510-D684 PolarHBondContact CE1-OD2 2.68Å; H510-D684 IonicContact ND1-OD2 2.65Å; H510-D684 IonicContact NE2-OD2 3.16Å; A682-D684 PolarHBondContact O-N 2.88Å; D684-A714 HydrophobicContact CB-CB 4.39Å |
| 685 | Q | 81 | Confident | 92.2 | Very high | 9 Ų | 9 | 27.9 Ų | 27.9 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -108.2 | 15.6 | 172.7 | -60.8 | -72.4 | 9.1 | 0 | 0 | 112.4 | H510 L654 R659 A660 A682 I683 | H510-Q685 PolarHBondContact ND1-NE2 2.99Å; L654-Q685 HydrophobicContact CD1-CG 3.81Å; R659-Q685 WeakPolarHBondContact CG-O 3.38Å; A660-Q685 HydrophobicContact CB-CB 4.11Å; A660-Q685 WeakPolarHBondContact CB-O 3.31Å; A660-Q685 PolarHBondContact N-O 3.24Å; A682-Q685 CarbonylContact O-C 3.54Å; A682-Q685 PolarHBondContact O-N 2.79Å; I683-Q685 PolarHBondContact O-N 3.05Å |
| 686 | G | 81.6 | Confident | 92.1 | Very high | 24 Ų | 24 | 26.8 Ų | 26.8 | 25% | 0.247 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 106.2 | -9.9 | 175 | 0 | 0 | 0 | 0 | 0 | 116.2 | A682 I683 | A682-G686 PolarHBondContact O-N 3.3Å; I683-G686 PolarHBondContact O-N 3.39Å |
| 687 | G | 90.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | trans | 81.6 | 154.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D680 A682 | D680-G687 WeakPolarHBondContact OD2-CA 3.27Å; A682-G687 WeakPolarHBondContact O-CA 3.49Å; A682-G687 PolarHBondContact O-N 3.21Å | ||
| 688 | I | 95.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -98.1 | -9.8 | -178.1 | 73.1 | 162.3 | 0 | 0 | 0 | 114.2 | I588 V653 A660 P661 L663 V664 D680 A682 | I588-I688 HydrophobicContact CB-CD1 3.98Å; I588-I688 HydrophobicContact CD1-CD1 4.29Å; I588-I688 HydrophobicContact CG2-CD1 4.04Å; V653-I688 HydrophobicContact CB-CG2 4.06Å; A660-I688 HydrophobicContact CB-CG2 4.41Å; P661-I688 WeakPolarHBondContact O-CA 3.29Å; L663-I688 PolarHBondContact N-O 3.47Å; V664-I688 PolarHBondContact N-O 3.43Å; V664-I688 VanDerWaalsContact N-O 3.1Å; D680-I688 PolarHBondContact OD1-N 3.25Å; D680-I688 PolarHBondContact OD2-N 2.94Å; A682-I688 HydrophobicContact CB-CG2 4.07Å |
| 689 | F | 96.7 | Very high | 90.7 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -105.2 | 129.7 | -178.2 | -50.8 | -95.9 | 0 | 0 | 0 | 110 | V649 V664 I678 D680 T691 T692 | V649-F689 HydrophobicContact CG1-CE1 3.84Å; V649-F689 HydrophobicContact CG1-CZ 3.84Å; V664-F689 HydrophobicContact CB-CD1 3.53Å; V664-F689 HydrophobicContact CB-CE1 4.07Å; V664-F689 HydrophobicContact CB-CG 4.32Å; V664-F689 HydrophobicContact CG1-CD1 3.77Å; V664-F689 HydrophobicContact CG1-CE1 4.26Å; V664-F689 HydrophobicContact CG2-CD1 3.75Å; V664-F689 HydrophobicContact CG2-CE1 3.77Å; I678-F689 HydrophobicContact CD1-CD1 3.86Å; I678-F689 HydrophobicContact CD1-CE1 4.06Å; I678-F689 HydrophobicContact CD1-CG 4.44Å; I678-F689 HydrophobicContact CG1-CD1 4.41Å; I678-F689 HydrophobicContact CG1-CE1 4.15Å; I678-F689 HydrophobicContact CG2-CD1 4.04Å; I678-F689 HydrophobicContact CG2-CD2 3.62Å; I678-F689 HydrophobicContact CG2-CE1 3.86Å; I678-F689 HydrophobicContact CG2-CE2 3.41Å; I678-F689 VanDerWaalsContact CG2-CE2 3.41Å; I678-F689 HydrophobicContact CG2-CG 3.96Å; I678-F689 HydrophobicContact CG2-CZ 3.56Å; D680-F689 HydrophobicContact CB-CD2 3.75Å; D680-F689 HydrophobicContact CB-CE2 3.83Å; D680-F689 VanDerWaalsContact CG-CD2 3.46Å; D680-F689 WeakPolarHBondContact OD2-CD2 3.36Å; F689-T691 PolarHBondContact O-N 3.15Å; F689-T692 WeakPolarHBondContact CB-OG1 3.34Å; F689-T692 PolarHBondContact O-N 2.92Å |
| 690 | E | 95.6 | Very high | 90.4 | Very high | 102 Ų | 102 | 40.6 Ų | 40.6 | 48% | 0.477 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -29.8 | 175.9 | -170.1 | -175 | 174 | 0 | 0 | 112.1 | T662 V664 S665 K666 T692 | T662-E690 HydrophobicContact CG2-CB 3.82Å; V664-E690 PolarHBondContact O-N 2.87Å; S665-E690 WeakPolarHBondContact CA-OE2 3.29Å; K666-E690 PolarHBondContact N-OE2 2.84Å; E690-T692 VanDerWaalsContact C-N 3.31Å |
| 691 | T | 95.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -20.6 | 177 | 49.9 | 0 | 0 | 0 | 0 | 112.9 | K666 V669 F689 N693 K705 E706 H710 | K666-T691 HydrophobicContact CB-CG2 4.32Å; K666-T691 HydrophobicContact CG-CG2 4.08Å; V669-T691 HydrophobicContact CB-CG2 3.91Å; V669-T691 HydrophobicContact CG1-CG2 4.02Å; V669-T691 HydrophobicContact CG2-CG2 4.03Å; V669-T691 WeakPolarHBondContact CG2-OG1 3.28Å; F689-T691 PolarHBondContact O-N 3.15Å; T691-N693 PolarHBondContact O-N 3.24Å; T691-N693 PolarHBondContact O-OD1 2.81Å; T691-K705 HydrophobicContact CG2-CD 4.49Å; T691-K705 VanDerWaalsContact O-CD 3.31Å; T691-K705 WeakPolarHBondContact O-CD 3.33Å; T691-K705 PolarHBondContact O-NZ 2.91Å; T691-E706 HydrophobicContact CG2-CG 4.07Å; T691-H710 VanDerWaalsContact CB-NE2 3.29Å; T691-H710 WeakPolarHBondContact CB-NE2 3.35Å; T691-H710 PolarHBondContact OG1-NE2 3.35Å |
| 692 | T | 91.5 | Very high | 90.2 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 6% | 0.061 | 24% | 0.236 | C | C | . | . | trans | -76.5 | 70.7 | 175.5 | -52 | 0 | 0 | 0 | 0 | 111.3 | D680 I683 F689 E690 Y703 A712 | D680-T692 HydrophobicContact CB-CG2 4.21Å; D680-T692 WeakPolarHBondContact OD2-CB 3.4Å; D680-T692 PolarHBondContact OD2-OG1 2.87Å; I683-T692 HydrophobicContact CD1-CG2 3.51Å; I683-T692 HydrophobicContact CG1-CG2 4.31Å; F689-T692 WeakPolarHBondContact CB-OG1 3.34Å; F689-T692 PolarHBondContact O-N 2.92Å; E690-T692 VanDerWaalsContact C-N 3.31Å; T692-Y703 VanDerWaalsContact CA-OH 3.23Å; T692-Y703 WeakPolarHBondContact CA-OH 3.5Å; T692-A712 HydrophobicContact CG2-CB 3.54Å | ||
| 693 | N | 83.5 | Confident | 90.4 | Very high | 117 Ų | 117 | 45 Ų | 45 | 63% | 0.626 | 24% | 0.241 | S | C | * | . | trans | -93.5 | 4.2 | -174.8 | 69 | -25.5 | 0 | 0 | 0 | 114.1 | T691 Y703 K705 | T691-N693 PolarHBondContact O-N 3.24Å; T691-N693 PolarHBondContact O-OD1 2.81Å; N693-Y703 PolarHBondContact N-OH 3.23Å; N693-K705 PolarHBondContact ND2-NZ 3.41Å; N693-K705 VanDerWaalsContact ND2-NZ 3.19Å; N693-K705 PolarHBondContact OD1-NZ 3.21Å | ||
| 694 | K | 87.1 | Confident | 90.5 | Very high | 127 Ų | 127 | 49.4 Ų | 49.4 | 55% | 0.552 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -142.8 | 132.6 | 179.7 | 172.4 | 179 | 175.8 | -172.9 | 0 | 109.8 | Y703 A712 | K694-Y703 HydrophobicContact CB-CE1 4.37Å; K694-Y703 PolarHBondContact O-OH 2.89Å; K694-A712 WeakPolarHBondContact O-CB 3.42Å |
| 695 | V | 89.7 | Confident | 91.1 | Very high | 81 Ų | 81 | 49.7 Ų | 49.7 | 49% | 0.491 | 26% | 0.262 | S | S | . | . | trans | -74.4 | 129.2 | 165.7 | -174.6 | 0 | 0 | 0 | 0 | 109 | I683 A714 | I683-V695 HydrophobicContact CD1-CG2 4.26Å; I683-V695 HydrophobicContact CG1-CG1 4.49Å; I683-V695 HydrophobicContact CG1-CG2 4.01Å; V695-A714 HydrophobicContact CG1-CB 3.69Å | ||
| 696 | T | 93.2 | Very high | 91.7 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -98.5 | 172.6 | 176.4 | 56.5 | 0 | 0 | 0 | 0 | 111.8 | N700 P701 Y703 A712 V713 | T696-N700 VanDerWaalsContact CB-O 3.28Å; T696-N700 WeakPolarHBondContact CB-O 3.39Å; T696-P701 WeakPolarHBondContact CB-O 3.36Å; T696-P701 PolarHBondContact OG1-O 2.89Å; T696-Y703 HydrophobicContact CG2-CD1 3.54Å; T696-Y703 HydrophobicContact CG2-CE1 3.69Å; T696-A712 HydrophobicContact CG2-CB 4.28Å; T696-A712 PolarHBondContact N-O 2.75Å; T696-A712 WeakPolarHBondContact OG1-CA 3.15Å; T696-A712 PolarHBondContact OG1-N 2.82Å; T696-A712 VanDerWaalsContact OG1-N 3.1Å; T696-A712 PolarHBondContact OG1-O 2.83Å; T696-V713 WeakPolarHBondContact OG1-CG2 3.43Å; T696-V713 PolarHBondContact OG1-N 3.32Å; T696-V713 VanDerWaalsContact OG1-N 3.13Å |
| 697 | T | 90.9 | Very high | 92.3 | Very high | 47 Ų | 47 | 55.4 Ų | 55.4 | 29% | 0.288 | 29% | 0.285 | S | S | . | . | B | Isolated β-bridge | trans | -124.5 | 163.7 | 178.9 | 64.5 | 0 | 0 | 0 | 0 | 110.3 | D699 N700 P701 | T697-D699 PolarHBondContact O-N 2.93Å; T697-D699 VanDerWaalsContact O-N 3.16Å; T697-N700 CarbonylContact O-C 3.57Å; T697-N700 PolarHBondContact O-N 3.4Å; T697-N700 VanDerWaalsContact O-N 3.07Å; T697-N700 PolarHBondContact OG1-N 3Å; T697-P701 WeakPolarHBondContact O-CA 3.36Å |
| 698 | H | 88.4 | Confident | 92.7 | Very high | 41 Ų | 41 | 55.4 Ų | 55.4 | 19% | 0.19 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -28.5 | 175.6 | -71.7 | -69.7 | 0 | 0 | 0 | 113.7 | N427 N715 A719 | N427-H698 HydrophobicContact CB-CB 3.85Å; H698-N715 PolarHBondContact NE2-O 3.47Å; H698-A719 VanDerWaalsContact CE1-CB 3.47Å; H698-A719 WeakPolarHBondContact CE1-CB 3.24Å |
| 699 | D | 87.6 | Confident | 92.8 | Very high | 92 Ų | 92 | 55.5 Ų | 55.5 | 49% | 0.492 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -31.2 | 177.1 | -51.5 | -59 | 0 | 0 | 0 | 112.8 | N426 N427 T697 | N426-D699 PolarHBondContact ND2-OD2 2.95Å; N426-D699 PolarHBondContact OD1-OD2 3.21Å; N427-D699 VanDerWaalsContact ND2-CG 3.29Å; N427-D699 PolarHBondContact ND2-OD1 3.44Å; N427-D699 PolarHBondContact ND2-OD2 3.49Å; T697-D699 PolarHBondContact O-N 2.93Å; T697-D699 VanDerWaalsContact O-N 3.16Å |
| 700 | N | 91.5 | Very high | 92.8 | Very high | 110 Ų | 110 | 55.3 Ų | 55.3 | 59% | 0.588 | 29% | 0.285 | S | S | * | . | B | Isolated β-bridge | trans | -133.5 | 69.2 | 179.6 | -66.3 | -84.4 | 0 | 0 | 0 | 109 | T696 T697 T702 | T696-N700 VanDerWaalsContact CB-O 3.28Å; T696-N700 WeakPolarHBondContact CB-O 3.39Å; T697-N700 CarbonylContact O-C 3.57Å; T697-N700 PolarHBondContact O-N 3.4Å; T697-N700 VanDerWaalsContact O-N 3.07Å; T697-N700 PolarHBondContact OG1-N 3Å; N700-T702 VanDerWaalsContact C-N 3.29Å; N700-T702 PolarHBondContact O-N 2.93Å |
| 701 | P | 93.8 | Very high | 92.9 | Very high | 28 Ų | 28 | 50.8 Ų | 50.8 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | trans | -72.3 | -22.3 | -163 | 26.4 | -34.8 | 0 | 0 | 0 | 113.7 | F562 T696 T697 Y711 V713 | F562-P701 HydrophobicContact CE1-CG 4.29Å; F562-P701 HydrophobicContact CE2-CB 4.44Å; F562-P701 HydrophobicContact CE2-CG 4.45Å; F562-P701 HydrophobicContact CZ-CB 4.03Å; F562-P701 HydrophobicContact CZ-CG 3.59Å; T696-P701 WeakPolarHBondContact CB-O 3.36Å; T696-P701 PolarHBondContact OG1-O 2.89Å; T697-P701 WeakPolarHBondContact O-CA 3.36Å; P701-Y711 HydrophobicContact CB-CD2 3.88Å; P701-Y711 HydrophobicContact CB-CE2 3.62Å; P701-V713 HydrophobicContact CB-CG2 4Å | ||
| 702 | T | 95.8 | Very high | 92.9 | Very high | 47 Ų | 47 | 50.7 Ų | 50.7 | 29% | 0.288 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 159.7 | -171.9 | 63.3 | 0 | 0 | 0 | 0 | 114.5 | F562 N700 V709 H710 Y711 | F562-T702 HydrophobicContact CD1-CG2 3.65Å; F562-T702 HydrophobicContact CD2-CG2 4.05Å; F562-T702 HydrophobicContact CE1-CG2 3.52Å; F562-T702 HydrophobicContact CE2-CG2 3.92Å; F562-T702 HydrophobicContact CG-CG2 3.95Å; F562-T702 HydrophobicContact CZ-CG2 3.68Å; N700-T702 VanDerWaalsContact C-N 3.29Å; N700-T702 PolarHBondContact O-N 2.93Å; T702-V709 HydrophobicContact CG2-CG1 3.9Å; T702-H710 WeakPolarHBondContact CA-O 3.44Å; T702-H710 WeakPolarHBondContact CB-O 3.43Å; T702-Y711 HydrophobicContact CG2-CD2 4.03Å |
| 703 | Y | 95 | Very high | 93 | Very high | 42 Ų | 42 | 50.3 Ų | 50.3 | 17% | 0.165 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 163.2 | 164.4 | 58.5 | -83.9 | 0 | 0 | 0 | 109.5 | T692 N693 K694 T696 K705 H710 A712 | T692-Y703 VanDerWaalsContact CA-OH 3.23Å; T692-Y703 WeakPolarHBondContact CA-OH 3.5Å; N693-Y703 PolarHBondContact N-OH 3.23Å; K694-Y703 HydrophobicContact CB-CE1 4.37Å; K694-Y703 PolarHBondContact O-OH 2.89Å; T696-Y703 HydrophobicContact CG2-CD1 3.54Å; T696-Y703 HydrophobicContact CG2-CE1 3.69Å; Y703-K705 HydrophobicContact CD2-CB 4.24Å; Y703-K705 HydrophobicContact CE2-CB 4.19Å; Y703-K705 HydrophobicContact CE2-CD 4.36Å; Y703-H710 HydrophobicContact CD1-CB 4.28Å; Y703-H710 HydrophobicContact CD2-CB 4.16Å; Y703-H710 HydrophobicContact CE1-CB 3.91Å; Y703-H710 HydrophobicContact CE2-CB 3.79Å; Y703-H710 AromaticContact CE2-CG 3.98Å; Y703-H710 HydrophobicContact CG-CB 4.41Å; Y703-H710 PolarHBondContact N-O 3.39Å; Y703-H710 VanDerWaalsContact N-O 3.14Å; Y703-H710 PolarHBondContact O-N 3.04Å; Y703-A712 HydrophobicContact CE1-CB 4.36Å |
| 704 | I | 94.2 | Very high | 93.3 | Very high | 102 Ų | 102 | 45.5 Ų | 45.5 | 52% | 0.523 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 130.8 | 178.3 | -60.5 | 176.5 | 0 | 0 | 0 | 109.2 | V708 V709 | I704-V708 WeakPolarHBondContact CA-O 3.29Å; I704-V709 HydrophobicContact CG1-CG2 4.4Å |
| 705 | K | 93.8 | Very high | 93.5 | Very high | 52 Ų | 52 | 39.8 Ų | 39.8 | 23% | 0.226 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 137.4 | 174.3 | -170.1 | 170.7 | 172.6 | -174.8 | 0 | 109.8 | T691 N693 Y703 N707 V708 H710 | T691-K705 HydrophobicContact CG2-CD 4.49Å; T691-K705 VanDerWaalsContact O-CD 3.31Å; T691-K705 WeakPolarHBondContact O-CD 3.33Å; T691-K705 PolarHBondContact O-NZ 2.91Å; N693-K705 PolarHBondContact ND2-NZ 3.41Å; N693-K705 VanDerWaalsContact ND2-NZ 3.19Å; N693-K705 PolarHBondContact OD1-NZ 3.21Å; Y703-K705 HydrophobicContact CD2-CB 4.24Å; Y703-K705 HydrophobicContact CE2-CB 4.19Å; Y703-K705 HydrophobicContact CE2-CD 4.36Å; K705-N707 PolarHBondContact O-N 3.44Å; K705-N707 VanDerWaalsContact O-N 3.15Å; K705-V708 PolarHBondContact N-O 2.84Å; K705-V708 PolarHBondContact O-N 3.17Å; K705-H710 PolarHBondContact O-CE1 3.27Å |
| 706 | E | 94.6 | Very high | 93.8 | Very high | 64 Ų | 64 | 36.2 Ų | 36.2 | 30% | 0.299 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 34.1 | -169.7 | -51 | -50.8 | 147.6 | 0 | 0 | 112.9 | K666 V669 T691 V708 | K666-E706 WeakPolarHBondContact CE-OE1 3.27Å; K666-E706 HydrophobicContact CG-CG 4.32Å; K666-E706 IonicContact NZ-OE1 2.6Å; V669-E706 HydrophobicContact CG1-CB 4.17Å; T691-E706 HydrophobicContact CG2-CG 4.07Å; E706-V708 PolarHBondContact O-N 2.78Å |
| 707 | N | 94.5 | Very high | 93.9 | Very high | 89 Ų | 89 | 36.4 Ų | 36.4 | 48% | 0.476 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 15.5 | -174.7 | -48.5 | -64.7 | 0 | 0 | 0 | 115.8 | F674 H675 K705 | F674-N707 HydrophobicContact CD2-CB 3.47Å; F674-N707 VanDerWaalsContact CD2-CB 3.47Å; F674-N707 HydrophobicContact CE2-CB 3.58Å; F674-N707 HydrophobicContact CG-CB 4.48Å; H675-N707 WeakPolarHBondContact CA-O 3.35Å; H675-N707 PolarHBondContact N-O 2.88Å; K705-N707 PolarHBondContact O-N 3.44Å; K705-N707 VanDerWaalsContact O-N 3.15Å |
| 708 | V | 97.5 | Very high | 94 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 137 | 177.2 | 179.3 | 0 | 0 | 0 | 0 | 109.5 | V669 M672 S676 I678 I704 K705 E706 H710 | V669-V708 HydrophobicContact CG1-CB 4.15Å; V669-V708 HydrophobicContact CG1-CG2 3.93Å; M672-V708 HydrophobicContact CB-CG2 4Å; M672-V708 HydrophobicContact CE-CG1 4.07Å; M672-V708 HydrophobicContact SD-CG2 4.49Å; S676-V708 WeakPolarHBondContact O-CG1 3.49Å; I678-V708 HydrophobicContact CB-CG1 4.36Å; I678-V708 HydrophobicContact CD1-CG1 3.73Å; I678-V708 HydrophobicContact CG1-CG1 3.76Å; I704-V708 WeakPolarHBondContact CA-O 3.29Å; K705-V708 PolarHBondContact N-O 2.84Å; K705-V708 PolarHBondContact O-N 3.17Å; E706-V708 PolarHBondContact O-N 2.78Å; V708-H710 PolarHBondContact O-N 3.08Å; V708-H710 PolarHBondContact O-ND1 3.19Å |
| 709 | V | 97.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 117.9 | 176 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | S676 V677 I678 T702 I704 | S676-V709 PolarHBondContact O-N 3.33Å; V677-V709 CarbonylContact C-O 3.57Å; V677-V709 WeakPolarHBondContact CA-O 3.41Å; V677-V709 HydrophobicContact CG2-CB 4.21Å; I678-V709 PolarHBondContact N-O 3.13Å; T702-V709 HydrophobicContact CG2-CG1 3.9Å; I704-V709 HydrophobicContact CG1-CG2 4.4Å |
| 710 | H | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 124.3 | 178.5 | -70.3 | 65.4 | 0 | 0 | 0 | 110 | T691 T702 Y703 K705 V708 | T691-H710 VanDerWaalsContact CB-NE2 3.29Å; T691-H710 WeakPolarHBondContact CB-NE2 3.35Å; T691-H710 PolarHBondContact OG1-NE2 3.35Å; T702-H710 WeakPolarHBondContact CA-O 3.44Å; T702-H710 WeakPolarHBondContact CB-O 3.43Å; Y703-H710 HydrophobicContact CD1-CB 4.28Å; Y703-H710 HydrophobicContact CD2-CB 4.16Å; Y703-H710 HydrophobicContact CE1-CB 3.91Å; Y703-H710 HydrophobicContact CE2-CB 3.79Å; Y703-H710 AromaticContact CE2-CG 3.98Å; Y703-H710 HydrophobicContact CG-CB 4.41Å; Y703-H710 PolarHBondContact N-O 3.39Å; Y703-H710 VanDerWaalsContact N-O 3.14Å; Y703-H710 PolarHBondContact O-N 3.04Å; K705-H710 PolarHBondContact O-CE1 3.27Å; V708-H710 PolarHBondContact O-N 3.08Å; V708-H710 PolarHBondContact O-ND1 3.19Å |
| 711 | Y | 97.7 | Very high | 94.8 | Very high | 7 Ų | 7 | 28.3 Ų | 28.3 | 3% | 0.027 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 121.6 | 167.6 | -178.2 | -78.3 | 0 | 0 | 0 | 108.9 | I558 F562 I678 V679 D680 P701 T702 V713 M716 | I558-Y711 HydrophobicContact CD1-CE1 4.39Å; I558-Y711 HydrophobicContact CD1-CE2 4.44Å; I558-Y711 HydrophobicContact CG2-CD1 4.24Å; I558-Y711 HydrophobicContact CG2-CD2 3.57Å; I558-Y711 HydrophobicContact CG2-CE1 4.22Å; I558-Y711 HydrophobicContact CG2-CE2 3.53Å; I558-Y711 HydrophobicContact CG2-CG 3.93Å; F562-Y711 AromaticContact CD2-CD2 3.94Å; F562-Y711 HydrophobicContact CD2-CD2 3.94Å; F562-Y711 AromaticContact CE2-CD2 3.5Å; F562-Y711 HydrophobicContact CE2-CD2 3.5Å; F562-Y711 VanDerWaalsContact CE2-CD2 3.5Å; F562-Y711 AromaticContact CE2-CE2 3.8Å; F562-Y711 HydrophobicContact CE2-CE2 3.8Å; F562-Y711 HydrophobicContact CZ-CD2 4.33Å; I678-Y711 PolarHBondContact O-N 2.81Å; V679-Y711 HydrophobicContact CG1-CD1 3.9Å; D680-Y711 PolarHBondContact N-O 2.8Å; P701-Y711 HydrophobicContact CB-CD2 3.88Å; P701-Y711 HydrophobicContact CB-CE2 3.62Å; T702-Y711 HydrophobicContact CG2-CD2 4.03Å; Y711-V713 HydrophobicContact CD1-CB 4.47Å; Y711-V713 HydrophobicContact CD1-CG2 4.4Å; Y711-V713 HydrophobicContact CD2-CG2 4.33Å; Y711-V713 HydrophobicContact CE1-CB 3.61Å; Y711-V713 HydrophobicContact CE1-CG2 3.76Å; Y711-V713 HydrophobicContact CE2-CB 4.39Å; Y711-V713 HydrophobicContact CE2-CG2 3.68Å; Y711-V713 WeakPolarHBondContact OH-CB 3.33Å; Y711-V713 WeakPolarHBondContact OH-CG2 3.42Å; Y711-M716 HydrophobicContact CE1-CE 4.15Å; Y711-M716 HydrophobicContact CE1-CG 3.9Å; Y711-M716 HydrophobicContact CE1-SD 4.11Å |
| 712 | A | 95.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -140.5 | 38.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I683 T692 K694 T696 Y703 A714 | I683-A712 HydrophobicContact CG1-CB 4.09Å; T692-A712 HydrophobicContact CG2-CB 3.54Å; K694-A712 WeakPolarHBondContact O-CB 3.42Å; T696-A712 HydrophobicContact CG2-CB 4.28Å; T696-A712 PolarHBondContact N-O 2.75Å; T696-A712 WeakPolarHBondContact OG1-CA 3.15Å; T696-A712 PolarHBondContact OG1-N 2.82Å; T696-A712 VanDerWaalsContact OG1-N 3.1Å; T696-A712 PolarHBondContact OG1-O 2.83Å; Y703-A712 HydrophobicContact CE1-CB 4.36Å; A712-A714 PolarHBondContact O-N 2.89Å | ||
| 713 | V | 94 | Very high | 94.9 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -79.9 | 118.7 | -177.6 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | T696 P701 Y711 N715 M716 | T696-V713 WeakPolarHBondContact OG1-CG2 3.43Å; T696-V713 PolarHBondContact OG1-N 3.32Å; T696-V713 VanDerWaalsContact OG1-N 3.13Å; P701-V713 HydrophobicContact CB-CG2 4Å; Y711-V713 HydrophobicContact CD1-CB 4.47Å; Y711-V713 HydrophobicContact CD1-CG2 4.4Å; Y711-V713 HydrophobicContact CD2-CG2 4.33Å; Y711-V713 HydrophobicContact CE1-CB 3.61Å; Y711-V713 HydrophobicContact CE1-CG2 3.76Å; Y711-V713 HydrophobicContact CE2-CB 4.39Å; Y711-V713 HydrophobicContact CE2-CG2 3.68Å; Y711-V713 WeakPolarHBondContact OH-CB 3.33Å; Y711-V713 WeakPolarHBondContact OH-CG2 3.42Å; V713-N715 VanDerWaalsContact C-N 3.29Å; V713-N715 WeakPolarHBondContact CG1-OD1 3.15Å; V713-N715 PolarHBondContact O-N 2.73Å; V713-M716 WeakPolarHBondContact O-CG 3.48Å |
| 714 | A | 89.9 | Confident | 95 | Very high | 16 Ų | 16 | 32 Ų | 32 | 13% | 0.132 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -5.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | I683 D684 V695 A712 | I683-A714 HydrophobicContact CG2-CB 4.15Å; D684-A714 HydrophobicContact CB-CB 4.39Å; V695-A714 HydrophobicContact CG1-CB 3.69Å; A712-A714 PolarHBondContact O-N 2.89Å |
| 715 | N | 91 | Very high | 95.1 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.2 | 49.2 | -179.5 | 63.6 | -30.5 | 0 | 0 | 0 | 111.8 | N426 E428 H698 V713 P717 G718 | N426-N715 PolarHBondContact O-ND2 2.84Å; E428-N715 WeakPolarHBondContact OE2-CB 3.33Å; H698-N715 PolarHBondContact NE2-O 3.47Å; V713-N715 VanDerWaalsContact C-N 3.29Å; V713-N715 WeakPolarHBondContact CG1-OD1 3.15Å; V713-N715 PolarHBondContact O-N 2.73Å; N715-P717 VanDerWaalsContact C-CD 3.43Å; N715-P717 VanDerWaalsContact C-N 3.32Å; N715-G718 PolarHBondContact O-N 2.73Å |
| 716 | M | 94.9 | Very high | 95.2 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -46.9 | -47 | 179.9 | -61 | 174.4 | 67.5 | 0 | 0 | 113.7 | M554 A555 I558 V679 V681 Y711 V713 G718 A719 | M554-M716 HydrophobicContact CB-CE 4.06Å; M554-M716 WeakPolarHBondContact CE-O 3.31Å; A555-M716 HydrophobicContact CB-CE 4Å; I558-M716 HydrophobicContact CD1-CE 3.69Å; V679-M716 HydrophobicContact CG1-CE 4.11Å; V681-M716 HydrophobicContact CB-SD 4.44Å; V681-M716 HydrophobicContact CG1-SD 4.12Å; V681-M716 HydrophobicContact CG2-SD 4.13Å; Y711-M716 HydrophobicContact CE1-CE 4.15Å; Y711-M716 HydrophobicContact CE1-CG 3.9Å; Y711-M716 HydrophobicContact CE1-SD 4.11Å; V713-M716 WeakPolarHBondContact O-CG 3.48Å; M716-G718 PolarHBondContact O-N 2.77Å; M716-A719 PolarHBondContact O-N 3.18Å; M716-A719 VanDerWaalsContact O-N 3.16Å |
| 717 | P | 95.2 | Very high | 95.3 | Very high | 11 Ų | 11 | 26.8 Ų | 26.8 | 7% | 0.071 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -63 | -17.7 | -179.3 | -22 | 35 | 0 | 0 | 0 | 114.5 | M547 I550 A551 N715 A719 V720 A724 | M547-P717 HydrophobicContact CB-CG 4.4Å; M547-P717 HydrophobicContact SD-CB 3.88Å; M547-P717 HydrophobicContact SD-CG 4.17Å; I550-P717 HydrophobicContact CG2-CB 3.86Å; I550-P717 HydrophobicContact CG2-CG 4.21Å; A551-P717 HydrophobicContact CB-CG 4.44Å; N715-P717 VanDerWaalsContact C-CD 3.43Å; N715-P717 VanDerWaalsContact C-N 3.32Å; P717-A719 PolarHBondContact O-N 3.26Å; P717-V720 CarbonylContact O-C 3.55Å; P717-V720 PolarHBondContact O-N 3.27Å; P717-V720 VanDerWaalsContact O-N 3.15Å; P717-A724 HydrophobicContact CB-CB 3.96Å; P717-A724 WeakPolarHBondContact O-CB 3.31Å |
| 718 | G | 92.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -63.5 | -18 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N429 N715 M716 | N429-G718 PolarHBondContact ND2-O 2.75Å; N715-G718 PolarHBondContact O-N 2.73Å; M716-G718 PolarHBondContact O-N 2.77Å |
| 719 | A | 94.1 | Very high | 95.2 | Very high | 52 Ų | 52 | 22.7 Ų | 22.7 | 43% | 0.43 | 13% | 0.131 | S | C | . | . | G | 310 helix | trans | -84.6 | -9.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | M554 H698 M716 P717 | M554-A719 HydrophobicContact CE-CB 3.93Å; H698-A719 VanDerWaalsContact CE1-CB 3.47Å; H698-A719 WeakPolarHBondContact CE1-CB 3.24Å; M716-A719 PolarHBondContact O-N 3.18Å; M716-A719 VanDerWaalsContact O-N 3.16Å; P717-A719 PolarHBondContact O-N 3.26Å |
| 720 | V | 95.8 | Very high | 95.1 | Very high | 48 Ų | 48 | 28.2 Ų | 28.2 | 29% | 0.291 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -125.7 | 54.1 | 173.1 | -67.4 | 0 | 0 | 0 | 0 | 110.6 | I550 M554 P717 Q722 T723 A724 | I550-V720 HydrophobicContact CG2-CG2 3.61Å; M554-V720 HydrophobicContact CE-CG1 4.11Å; M554-V720 HydrophobicContact CE-CG2 4.22Å; M554-V720 HydrophobicContact SD-CG1 4.29Å; M554-V720 HydrophobicContact SD-CG2 3.5Å; M554-V720 VanDerWaalsContact SD-CG2 3.5Å; P717-V720 CarbonylContact O-C 3.55Å; P717-V720 PolarHBondContact O-N 3.27Å; P717-V720 VanDerWaalsContact O-N 3.15Å; V720-Q722 VanDerWaalsContact C-N 3.28Å; V720-Q722 PolarHBondContact O-N 3.47Å; V720-T723 PolarHBondContact O-N 3.26Å; V720-A724 PolarHBondContact O-N 3.35Å |
| 721 | P | 96 | Very high | 95 | Very high | 20 Ų | 20 | 29.4 Ų | 29.4 | 13% | 0.13 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.4 | -35.1 | -165.8 | 27.7 | -37 | 0 | 0 | 0 | 112.7 | N429 R430 G457 T723 A724 T725 | N429-P721 VanDerWaalsContact C-CB 3.5Å; N429-P721 HydrophobicContact CB-CB 3.63Å; N429-P721 HydrophobicContact CB-CG 3.62Å; N429-P721 VanDerWaalsContact O-CB 3.32Å; N429-P721 WeakPolarHBondContact O-CB 3.18Å; R430-P721 HydrophobicContact CG-CB 4.14Å; G457-P721 WeakPolarHBondContact O-CG 2.87Å; P721-T723 VanDerWaalsContact C-N 3.33Å; P721-T723 PolarHBondContact O-N 3.28Å; P721-A724 PolarHBondContact O-N 3.26Å; P721-T725 WeakPolarHBondContact O-CB 3.43Å; P721-T725 PolarHBondContact O-N 2.76Å; P721-T725 PolarHBondContact O-OG1 3.38Å; P721-T725 VanDerWaalsContact O-OG1 3.09Å |
| 722 | Q | 94.6 | Very high | 94.9 | Very high | 116 Ų | 116 | 29.1 Ų | 29.1 | 54% | 0.542 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -57.8 | -45.6 | 175.7 | -165.8 | -84.2 | -3.4 | 0 | 0 | 111 | V720 Y726 | V720-Q722 VanDerWaalsContact C-N 3.28Å; V720-Q722 PolarHBondContact O-N 3.47Å; Q722-Y726 WeakPolarHBondContact O-CD2 3.32Å |
| 723 | T | 95.6 | Very high | 94.8 | Very high | 78 Ų | 78 | 30.7 Ų | 30.7 | 48% | 0.479 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -74.3 | -42.9 | 177.3 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | I550 V720 P721 A727 | I550-T723 HydrophobicContact CD1-CG2 4.23Å; V720-T723 PolarHBondContact O-N 3.26Å; P721-T723 VanDerWaalsContact C-N 3.33Å; P721-T723 PolarHBondContact O-N 3.28Å; T723-A727 WeakPolarHBondContact O-CB 3.5Å; T723-A727 PolarHBondContact O-N 2.96Å; T723-A727 VanDerWaalsContact O-N 3.09Å |
| 724 | A | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -73.4 | -35.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R430 M547 I550 P717 V720 P721 A727 L728 | R430-A724 VanDerWaalsContact CD-CB 3.42Å; R430-A724 HydrophobicContact CG-CB 3.91Å; M547-A724 HydrophobicContact CE-CB 4.21Å; M547-A724 WeakPolarHBondContact CE-O 3.46Å; M547-A724 HydrophobicContact SD-CB 4.3Å; I550-A724 VanDerWaalsContact CD1-CA 3.49Å; I550-A724 HydrophobicContact CD1-CB 3.69Å; P717-A724 HydrophobicContact CB-CB 3.96Å; P717-A724 WeakPolarHBondContact O-CB 3.31Å; V720-A724 PolarHBondContact O-N 3.35Å; P721-A724 PolarHBondContact O-N 3.26Å; A724-A727 PolarHBondContact O-N 3.32Å; A724-L728 VanDerWaalsContact O-CB 3.27Å; A724-L728 WeakPolarHBondContact O-CB 3.31Å; A724-L728 PolarHBondContact O-N 3.37Å |
| 725 | T | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.1 | -50.8 | 175.8 | -74 | 0 | 0 | 0 | 0 | 111.3 | R430 V431 P434 S458 I460 P721 L728 S729 | R430-T725 WeakPolarHBondContact CA-OG1 3.15Å; V431-T725 HydrophobicContact CG1-CG2 3.61Å; V431-T725 PolarHBondContact N-OG1 3.15Å; V431-T725 VanDerWaalsContact N-OG1 3.14Å; V431-T725 WeakPolarHBondContact O-CG2 3.33Å; P434-T725 HydrophobicContact CB-CG2 4.02Å; P434-T725 HydrophobicContact CG-CG2 4.26Å; S458-T725 PolarHBondContact OG-OG1 3Å; I460-T725 HydrophobicContact CD1-CG2 4.31Å; P721-T725 WeakPolarHBondContact O-CB 3.43Å; P721-T725 PolarHBondContact O-N 2.76Å; P721-T725 PolarHBondContact O-OG1 3.38Å; P721-T725 VanDerWaalsContact O-OG1 3.09Å; T725-L728 PolarHBondContact O-N 3.09Å; T725-S729 VanDerWaalsContact O-CB 3.3Å; T725-S729 WeakPolarHBondContact O-CB 3.43Å; T725-S729 PolarHBondContact O-N 3.3Å |
| 726 | Y | 96.2 | Very high | 95.4 | Very high | 81 Ų | 81 | 36.3 Ų | 36.3 | 32% | 0.318 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.9 | -38.9 | 178.9 | -70.6 | -80.5 | 0 | 0 | 0 | 112.1 | P434 Q722 L728 S729 N730 | P434-Y726 HydrophobicContact CB-CD1 4.14Å; P434-Y726 HydrophobicContact CB-CE1 3.72Å; P434-Y726 HydrophobicContact CG-CD1 3.92Å; P434-Y726 HydrophobicContact CG-CE1 3.96Å; Q722-Y726 WeakPolarHBondContact O-CD2 3.32Å; Y726-L728 PolarHBondContact O-N 2.88Å; Y726-S729 PolarHBondContact O-N 3.04Å; Y726-N730 VanDerWaalsContact O-CB 3.29Å; Y726-N730 WeakPolarHBondContact O-CB 3.39Å; Y726-N730 PolarHBondContact O-N 3Å; Y726-N730 PolarHBondContact O-ND2 2.91Å; Y726-N730 PolarHBondContact O-OD1 3.34Å |
| 727 | A | 96.1 | Very high | 95.2 | Very high | 28 Ų | 28 | 38.2 Ų | 38.2 | 23% | 0.231 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.2 | -42.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P546 M547 I550 T723 A724 | P546-A727 HydrophobicContact CB-CB 3.98Å; M547-A727 HydrophobicContact CE-CB 4.16Å; I550-A727 HydrophobicContact CD1-CB 3.96Å; T723-A727 WeakPolarHBondContact O-CB 3.5Å; T723-A727 PolarHBondContact O-N 2.96Å; T723-A727 VanDerWaalsContact O-N 3.09Å; A724-A727 PolarHBondContact O-N 3.32Å |
| 728 | L | 96.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.3 | -52.3 | 175.3 | -178.6 | 59.7 | 0 | 0 | 0 | 110.9 | V488 Y508 Y531 M547 A724 T725 Y726 N730 A731 T732 | V488-L728 HydrophobicContact CG1-CD2 4.02Å; V488-L728 HydrophobicContact CG2-CD2 4.2Å; Y508-L728 HydrophobicContact CE2-CD1 3.97Å; Y508-L728 HydrophobicContact CE2-CD2 4.37Å; Y531-L728 HydrophobicContact CD2-CD1 4.18Å; Y531-L728 HydrophobicContact CE2-CD1 4.32Å; Y531-L728 HydrophobicContact CE2-CD2 4.29Å; M547-L728 HydrophobicContact CE-CB 3.78Å; M547-L728 HydrophobicContact CG-CD1 4.39Å; M547-L728 HydrophobicContact SD-CB 4.41Å; A724-L728 VanDerWaalsContact O-CB 3.27Å; A724-L728 WeakPolarHBondContact O-CB 3.31Å; A724-L728 PolarHBondContact O-N 3.37Å; T725-L728 PolarHBondContact O-N 3.09Å; Y726-L728 PolarHBondContact O-N 2.88Å; L728-N730 VanDerWaalsContact C-N 3.32Å; L728-N730 PolarHBondContact O-N 2.66Å; L728-A731 PolarHBondContact O-N 3.18Å; L728-T732 HydrophobicContact CD1-CG2 3.85Å; L728-T732 HydrophobicContact CG-CG2 4.17Å; L728-T732 WeakPolarHBondContact O-CG2 3.24Å; L728-T732 PolarHBondContact O-N 2.91Å; L728-T732 PolarHBondContact O-OG1 3.4Å |
| 729 | S | 95.5 | Very high | 95.3 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.3 | -40 | -176.7 | 175.9 | 0 | 0 | 0 | 0 | 112.7 | P434 T725 Y726 A731 T732 M733 | P434-S729 WeakPolarHBondContact CD-OG 3.4Å; T725-S729 VanDerWaalsContact O-CB 3.3Å; T725-S729 WeakPolarHBondContact O-CB 3.43Å; T725-S729 PolarHBondContact O-N 3.3Å; Y726-S729 PolarHBondContact O-N 3.04Å; S729-A731 PolarHBondContact O-N 3.36Å; S729-T732 WeakPolarHBondContact CA-OG1 3.13Å; S729-T732 PolarHBondContact O-N 3.44Å; S729-T732 PolarHBondContact O-OG1 2.96Å; S729-M733 WeakPolarHBondContact O-CB 3.41Å; S729-M733 PolarHBondContact O-N 3.38Å |
| 730 | N | 93.9 | Very high | 95.2 | Very high | 118 Ų | 118 | 39.2 Ų | 39.2 | 63% | 0.631 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -60.6 | -33.9 | 176.9 | -71.7 | -12.4 | 0 | 0 | 0 | 112.2 | Y726 L728 | Y726-N730 VanDerWaalsContact O-CB 3.29Å; Y726-N730 WeakPolarHBondContact O-CB 3.39Å; Y726-N730 PolarHBondContact O-N 3Å; Y726-N730 PolarHBondContact O-ND2 2.91Å; Y726-N730 PolarHBondContact O-OD1 3.34Å; L728-N730 VanDerWaalsContact C-N 3.32Å; L728-N730 PolarHBondContact O-N 2.66Å |
| 731 | A | 95.3 | Very high | 94.8 | Very high | 25 Ų | 25 | 40.7 Ų | 40.7 | 21% | 0.207 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -79.2 | -37.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L543 P546 L728 S729 | L543-A731 VanDerWaalsContact CD2-C 3.41Å; L543-A731 HydrophobicContact CD2-CB 3.97Å; L543-A731 WeakPolarHBondContact CD2-O 3.5Å; P546-A731 HydrophobicContact CG-CB 3.91Å; L728-A731 PolarHBondContact O-N 3.18Å; S729-A731 PolarHBondContact O-N 3.36Å |
| 732 | T | 96.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -79.6 | -25.9 | -176.4 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | Y531 L543 L728 S729 E734 Y735 V736 | Y531-T732 HydrophobicContact CD1-CG2 4.44Å; Y531-T732 HydrophobicContact CE1-CG2 4.16Å; Y531-T732 HydrophobicContact CE2-CG2 4.25Å; L543-T732 HydrophobicContact CD1-CG2 4.44Å; L543-T732 HydrophobicContact CD2-CG2 4.01Å; L728-T732 HydrophobicContact CD1-CG2 3.85Å; L728-T732 HydrophobicContact CG-CG2 4.17Å; L728-T732 WeakPolarHBondContact O-CG2 3.24Å; L728-T732 PolarHBondContact O-N 2.91Å; L728-T732 PolarHBondContact O-OG1 3.4Å; S729-T732 WeakPolarHBondContact CA-OG1 3.13Å; S729-T732 PolarHBondContact O-N 3.44Å; S729-T732 PolarHBondContact O-OG1 2.96Å; T732-E734 VanDerWaalsContact C-N 3.3Å; T732-E734 PolarHBondContact O-N 3.31Å; T732-Y735 WeakPolarHBondContact O-CB 3.35Å; T732-Y735 PolarHBondContact O-N 3.48Å; T732-V736 WeakPolarHBondContact O-CG2 3.36Å; T732-V736 PolarHBondContact O-N 3.08Å |
| 733 | M | 93.6 | Very high | 94.3 | Very high | 34 Ų | 34 | 42.5 Ų | 42.5 | 17% | 0.167 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.7 | -38.4 | -169 | -163.6 | 66.8 | -120.7 | 0 | 0 | 114 | L433 L441 S729 Y735 V736 N737 | L433-M733 HydrophobicContact CD1-SD 3.95Å; L441-M733 HydrophobicContact CD1-CE 4.48Å; L441-M733 HydrophobicContact CD2-CE 3.91Å; L441-M733 HydrophobicContact CG-CE 3.84Å; S729-M733 WeakPolarHBondContact O-CB 3.41Å; S729-M733 PolarHBondContact O-N 3.38Å; M733-Y735 VanDerWaalsContact C-N 3.33Å; M733-Y735 PolarHBondContact O-N 3.34Å; M733-V736 HydrophobicContact CE-CB 4.11Å; M733-V736 HydrophobicContact CE-CG1 3.9Å; M733-V736 PolarHBondContact O-N 2.88Å; M733-N737 WeakPolarHBondContact CE-OD1 3.4Å; M733-N737 WeakPolarHBondContact O-CB 3.33Å; M733-N737 PolarHBondContact O-N 2.84Å; M733-N737 PolarHBondContact O-ND2 3.31Å |
| 734 | E | 93.1 | Very high | 94.1 | Very high | 128 Ų | 128 | 40.1 Ų | 40.1 | 60% | 0.598 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -57.6 | -47.3 | 175.5 | -176.8 | -175.3 | 161.9 | 0 | 0 | 111.3 | T732 N737 L738 | T732-E734 VanDerWaalsContact C-N 3.3Å; T732-E734 PolarHBondContact O-N 3.31Å; E734-N737 PolarHBondContact O-N 2.86Å; E734-L738 WeakPolarHBondContact O-CG 3.34Å; E734-L738 PolarHBondContact O-N 2.93Å |
| 735 | Y | 96.8 | Very high | 93.9 | Very high | 15 Ų | 15 | 42.7 Ų | 42.7 | 6% | 0.059 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -73.4 | -38.2 | -179.1 | -60.8 | -83.4 | 0 | 0 | 0 | 112.4 | V534 P542 L543 T732 M733 N737 L738 L739 A753 L754 | V534-Y735 HydrophobicContact CG1-CD1 3.95Å; V534-Y735 HydrophobicContact CG1-CE1 3.43Å; V534-Y735 VanDerWaalsContact CG1-CE1 3.43Å; V534-Y735 HydrophobicContact CG1-CE2 4.29Å; P542-Y735 HydrophobicContact CG-CE2 4.46Å; P542-Y735 WeakPolarHBondContact CG-OH 3.42Å; L543-Y735 HydrophobicContact CD1-CD2 4.13Å; L543-Y735 HydrophobicContact CD1-CE2 4.47Å; L543-Y735 HydrophobicContact CD1-CG 4.43Å; L543-Y735 HydrophobicContact CD2-CD2 3.61Å; L543-Y735 HydrophobicContact CD2-CE2 3.66Å; L543-Y735 HydrophobicContact CG-CD2 4.23Å; L543-Y735 HydrophobicContact CG-CE2 4.18Å; T732-Y735 WeakPolarHBondContact O-CB 3.35Å; T732-Y735 PolarHBondContact O-N 3.48Å; M733-Y735 VanDerWaalsContact C-N 3.33Å; M733-Y735 PolarHBondContact O-N 3.34Å; Y735-N737 VanDerWaalsContact C-N 3.29Å; Y735-N737 PolarHBondContact O-N 3.43Å; Y735-L738 PolarHBondContact O-N 3.19Å; Y735-L739 WeakPolarHBondContact O-CB 3.34Å; Y735-L739 VanDerWaalsContact O-CG 3.29Å; Y735-L739 WeakPolarHBondContact O-CG 3.46Å; Y735-L739 PolarHBondContact O-N 2.81Å; Y735-A753 HydrophobicContact CE1-CB 4.02Å; Y735-L754 HydrophobicContact CD1-CD1 4.34Å; Y735-L754 HydrophobicContact CD1-CD2 3.65Å; Y735-L754 HydrophobicContact CD1-CG 3.8Å; Y735-L754 HydrophobicContact CE1-CG 4.45Å; Y735-L754 HydrophobicContact CG-CD2 4.31Å |
| 736 | V | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.8 | -44.7 | 173.4 | 173.5 | 0 | 0 | 0 | 0 | 110 | L441 M484 L486 F506 T732 M733 L739 A740 | L441-V736 HydrophobicContact CD1-CG1 3.96Å; L441-V736 HydrophobicContact CD2-CG1 4.15Å; L441-V736 HydrophobicContact CG-CG1 4.47Å; M484-V736 HydrophobicContact CE-CG1 4.08Å; L486-V736 HydrophobicContact CD1-CG1 3.85Å; L486-V736 HydrophobicContact CD1-CG2 4.18Å; L486-V736 HydrophobicContact CD2-CG1 4.47Å; L486-V736 HydrophobicContact CD2-CG2 4.03Å; F506-V736 HydrophobicContact CD1-CG2 4.03Å; F506-V736 HydrophobicContact CE1-CG2 3.85Å; T732-V736 WeakPolarHBondContact O-CG2 3.36Å; T732-V736 PolarHBondContact O-N 3.08Å; M733-V736 HydrophobicContact CE-CB 4.11Å; M733-V736 HydrophobicContact CE-CG1 3.9Å; M733-V736 PolarHBondContact O-N 2.88Å; V736-L739 PolarHBondContact O-N 3.14Å; V736-A740 VanDerWaalsContact O-CB 3.29Å; V736-A740 WeakPolarHBondContact O-CB 3.48Å; V736-A740 PolarHBondContact O-N 2.89Å |
| 737 | N | 91.3 | Very high | 93.6 | Very high | 45 Ų | 45 | 42.5 Ų | 42.5 | 24% | 0.241 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.5 | -42.4 | 175.6 | -76.6 | -28.5 | 0 | 0 | 0 | 112.1 | M733 E734 Y735 A740 N741 | M733-N737 WeakPolarHBondContact CE-OD1 3.4Å; M733-N737 WeakPolarHBondContact O-CB 3.33Å; M733-N737 PolarHBondContact O-N 2.84Å; M733-N737 PolarHBondContact O-ND2 3.31Å; E734-N737 PolarHBondContact O-N 2.86Å; Y735-N737 VanDerWaalsContact C-N 3.29Å; Y735-N737 PolarHBondContact O-N 3.43Å; N737-A740 PolarHBondContact O-N 3.06Å; N737-N741 WeakPolarHBondContact O-CB 3.32Å; N737-N741 PolarHBondContact O-N 3.26Å; N737-N741 VanDerWaalsContact O-N 3.1Å; N737-N741 PolarHBondContact O-ND2 2.94Å |
| 738 | L | 94 | Very high | 93.5 | Very high | 47 Ų | 47 | 41.1 Ų | 41.1 | 25% | 0.246 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 176.9 | -72.9 | 171.3 | 0 | 0 | 0 | 111.6 | E734 Y735 N741 N742 L747 N751 L754 | E734-L738 WeakPolarHBondContact O-CG 3.34Å; E734-L738 PolarHBondContact O-N 2.93Å; Y735-L738 PolarHBondContact O-N 3.19Å; L738-N741 PolarHBondContact O-N 3.12Å; L738-N742 WeakPolarHBondContact O-CB 3.48Å; L738-N742 PolarHBondContact O-N 3.4Å; L738-N742 PolarHBondContact O-ND2 3.33Å; L738-L747 HydrophobicContact CB-CD1 4.16Å; L738-L747 HydrophobicContact CB-CD2 4.06Å; L738-L747 HydrophobicContact CD2-CD1 4.38Å; L738-L747 WeakPolarHBondContact O-CD2 3.32Å; L738-N751 WeakPolarHBondContact CD1-ND2 3.4Å; L738-L754 HydrophobicContact CB-CD1 4.21Å; L738-L754 HydrophobicContact CD1-CD1 4.32Å |
| 739 | L | 95.9 | Very high | 93.3 | Very high | 12 Ų | 12 | 46.6 Ų | 46.6 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.7 | -40.3 | -179.9 | -69.3 | 166 | 0 | 0 | 0 | 112.2 | M484 L504 F506 I529 Y735 V736 L744 L747 L754 | M484-L739 HydrophobicContact SD-CB 3.8Å; M484-L739 HydrophobicContact SD-CD1 4.49Å; L504-L739 HydrophobicContact CD2-CB 4.14Å; L504-L739 HydrophobicContact CD2-CD2 3.98Å; L504-L739 HydrophobicContact CD2-CG 4.44Å; F506-L739 HydrophobicContact CB-CD1 4.36Å; F506-L739 HydrophobicContact CD1-CD1 3.55Å; F506-L739 HydrophobicContact CD2-CD1 4.15Å; F506-L739 HydrophobicContact CE1-CD1 3.79Å; F506-L739 HydrophobicContact CE2-CD1 4.34Å; F506-L739 HydrophobicContact CG-CD1 3.77Å; F506-L739 HydrophobicContact CZ-CD1 4.19Å; I529-L739 HydrophobicContact CD1-CD1 4.37Å; I529-L739 HydrophobicContact CD1-CD2 3.63Å; Y735-L739 WeakPolarHBondContact O-CB 3.34Å; Y735-L739 VanDerWaalsContact O-CG 3.29Å; Y735-L739 WeakPolarHBondContact O-CG 3.46Å; Y735-L739 PolarHBondContact O-N 2.81Å; V736-L739 PolarHBondContact O-N 3.14Å; L739-L744 HydrophobicContact CD2-CD1 3.98Å; L739-L747 HydrophobicContact CD2-CD2 3.85Å; L739-L747 HydrophobicContact CG-CD2 4.32Å; L739-L754 HydrophobicContact CD1-CD2 4.26Å; L739-L754 HydrophobicContact CD2-CD1 4.18Å; L739-L754 HydrophobicContact CD2-CD2 4.4Å; L739-L754 HydrophobicContact CG-CD1 4.29Å; L739-L754 HydrophobicContact CG-CD2 4.39Å |
| 740 | A | 91.7 | Very high | 93.1 | Very high | 25 Ų | 25 | 53.2 Ų | 53.2 | 21% | 0.207 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.7 | -30.8 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | L441 H446 M484 V736 N737 | L441-A740 HydrophobicContact CD2-CB 4.13Å; H446-A740 PolarHBondContact CE1-O 3.42Å; M484-A740 HydrophobicContact CE-CB 4.08Å; V736-A740 VanDerWaalsContact O-CB 3.29Å; V736-A740 WeakPolarHBondContact O-CB 3.48Å; V736-A740 PolarHBondContact O-N 2.89Å; N737-A740 PolarHBondContact O-N 3.06Å |
| 741 | N | 87.5 | Confident | 93.1 | Very high | 78 Ų | 78 | 49.3 Ų | 49.3 | 42% | 0.417 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -100.6 | -2.7 | -171.6 | -68 | -64.3 | 0 | 0 | 0 | 114.9 | H446 N737 L738 | H446-N741 PolarHBondContact NE2-OD1 3.43Å; N737-N741 WeakPolarHBondContact O-CB 3.32Å; N737-N741 PolarHBondContact O-N 3.26Å; N737-N741 VanDerWaalsContact O-N 3.1Å; N737-N741 PolarHBondContact O-ND2 2.94Å; L738-N741 PolarHBondContact O-N 3.12Å |
| 742 | N | 90.4 | Very high | 93.1 | Very high | 80 Ų | 80 | 51.2 Ų | 51.2 | 43% | 0.428 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -133.7 | 149.9 | -173.3 | -61.5 | -90.5 | 0 | 0 | 0 | 111.7 | L738 L744 L747 | L738-N742 WeakPolarHBondContact O-CB 3.48Å; L738-N742 PolarHBondContact O-N 3.4Å; L738-N742 PolarHBondContact O-ND2 3.33Å; N742-L744 PolarHBondContact O-N 3.32Å; N742-L747 HydrophobicContact CB-CB 4.11Å; N742-L747 HydrophobicContact CB-CD2 4.35Å |
| 743 | D | 90.5 | Very high | 93.1 | Very high | 94 Ų | 94 | 51.6 Ų | 51.6 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | trans | -57.5 | 129.4 | 165.4 | 168.1 | 67.4 | 0 | 0 | 0 | 110.4 | I745 S746 L747 | D743-I745 PolarHBondContact O-N 2.9Å; D743-I745 PolarHBondContact OD2-N 3.29Å; D743-S746 PolarHBondContact O-N 3.39Å; D743-S746 WeakPolarHBondContact OD2-CB 3.34Å; D743-S746 PolarHBondContact OD2-N 2.96Å; D743-S746 PolarHBondContact OD2-OG 3.23Å; D743-L747 WeakPolarHBondContact O-CB 3.45Å; D743-L747 PolarHBondContact O-N 2.85Å | ||
| 744 | L | 92.1 | Very high | 93.2 | Very high | 29 Ų | 29 | 50 Ų | 50 | 15% | 0.152 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60 | -44.7 | -172 | 179 | 62.6 | 0 | 0 | 0 | 112.1 | L504 H527 I529 L739 N742 L747 L748 Y761 | L504-L744 HydrophobicContact CD1-CD1 4.21Å; L504-L744 HydrophobicContact CD1-CD2 4.3Å; L504-L744 HydrophobicContact CD2-CD1 4.47Å; H527-L744 HydrophobicContact CB-CD2 4.05Å; H527-L744 WeakPolarHBondContact ND1-CD2 3.43Å; I529-L744 HydrophobicContact CD1-CD1 4.28Å; L739-L744 HydrophobicContact CD2-CD1 3.98Å; N742-L744 PolarHBondContact O-N 3.32Å; L744-L747 PolarHBondContact O-N 3.14Å; L744-L748 HydrophobicContact CD1-CD1 3.77Å; L744-L748 HydrophobicContact CD1-CG 4.01Å; L744-L748 HydrophobicContact CG-CD1 3.81Å; L744-L748 HydrophobicContact CG-CG 4.41Å; L744-L748 WeakPolarHBondContact O-CB 3.49Å; L744-L748 WeakPolarHBondContact O-CG 3.43Å; L744-L748 PolarHBondContact O-N 3.41Å; L744-Y761 HydrophobicContact CD2-CE2 4.45Å |
| 745 | I | 92.3 | Very high | 93.3 | Very high | 53 Ų | 53 | 46.7 Ų | 46.7 | 27% | 0.272 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.2 | -46.8 | -176.6 | -62.9 | 175.5 | 0 | 0 | 0 | 110 | D743 L748 K749 Y761 | D743-I745 PolarHBondContact O-N 2.9Å; D743-I745 PolarHBondContact OD2-N 3.29Å; I745-L748 PolarHBondContact O-N 3.32Å; I745-K749 HydrophobicContact CG2-CD 4.35Å; I745-K749 WeakPolarHBondContact O-CG 3.34Å; I745-K749 PolarHBondContact O-N 3.45Å; I745-K749 VanDerWaalsContact O-N 3.08Å; I745-Y761 WeakPolarHBondContact CD1-OH 3.29Å; I745-Y761 WeakPolarHBondContact CG1-OH 3.41Å |
| 746 | S | 91.1 | Very high | 93.2 | Very high | 63 Ų | 63 | 50 Ų | 50 | 44% | 0.441 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 178.8 | -55.9 | 0 | 0 | 0 | 0 | 111 | D743 L748 K749 D750 | D743-S746 PolarHBondContact O-N 3.39Å; D743-S746 WeakPolarHBondContact OD2-CB 3.34Å; D743-S746 PolarHBondContact OD2-N 2.96Å; D743-S746 PolarHBondContact OD2-OG 3.23Å; S746-L748 PolarHBondContact O-N 3.16Å; S746-K749 WeakPolarHBondContact O-CB 3.15Å; S746-K749 PolarHBondContact O-N 3Å; S746-D750 PolarHBondContact O-N 3Å |
| 747 | L | 94.3 | Very high | 93.2 | Very high | 14 Ų | 14 | 50 Ų | 50 | 7% | 0.073 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 177.1 | 178.8 | 62 | 0 | 0 | 0 | 112.1 | L738 L739 N742 D743 L744 K749 D750 N751 L754 | L738-L747 HydrophobicContact CB-CD1 4.16Å; L738-L747 HydrophobicContact CB-CD2 4.06Å; L738-L747 HydrophobicContact CD2-CD1 4.38Å; L738-L747 WeakPolarHBondContact O-CD2 3.32Å; L739-L747 HydrophobicContact CD2-CD2 3.85Å; L739-L747 HydrophobicContact CG-CD2 4.32Å; N742-L747 HydrophobicContact CB-CB 4.11Å; N742-L747 HydrophobicContact CB-CD2 4.35Å; D743-L747 WeakPolarHBondContact O-CB 3.45Å; D743-L747 PolarHBondContact O-N 2.85Å; L744-L747 PolarHBondContact O-N 3.14Å; L747-K749 VanDerWaalsContact C-N 3.29Å; L747-K749 PolarHBondContact O-N 3.28Å; L747-D750 PolarHBondContact O-N 3.37Å; L747-N751 HydrophobicContact CD1-CB 3.88Å; L747-N751 HydrophobicContact CG-CB 4.41Å; L747-N751 WeakPolarHBondContact O-CB 3.47Å; L747-N751 PolarHBondContact O-N 2.88Å; L747-L754 HydrophobicContact CD1-CD1 4.12Å; L747-L754 HydrophobicContact CD2-CD1 3.56Å; L747-L754 HydrophobicContact CG-CD1 3.83Å |
| 748 | L | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66 | -31.8 | 179.1 | -69.3 | 169.8 | 0 | 0 | 0 | 111.8 | I529 L744 I745 S746 D750 L754 R755 L758 L785 | I529-L748 HydrophobicContact CD1-CD2 4.31Å; L744-L748 HydrophobicContact CD1-CD1 3.77Å; L744-L748 HydrophobicContact CD1-CG 4.01Å; L744-L748 HydrophobicContact CG-CD1 3.81Å; L744-L748 HydrophobicContact CG-CG 4.41Å; L744-L748 WeakPolarHBondContact O-CB 3.49Å; L744-L748 WeakPolarHBondContact O-CG 3.43Å; L744-L748 PolarHBondContact O-N 3.41Å; I745-L748 PolarHBondContact O-N 3.32Å; S746-L748 PolarHBondContact O-N 3.16Å; L748-D750 VanDerWaalsContact C-N 3.32Å; L748-D750 PolarHBondContact O-N 2.86Å; L748-L754 HydrophobicContact CD2-CB 4.12Å; L748-R755 VanDerWaalsContact O-CZ 3.24Å; L748-R755 PolarHBondContact O-NE 3.12Å; L748-R755 PolarHBondContact O-NH2 3.14Å; L748-R755 VanDerWaalsContact O-NH2 3.07Å; L748-L758 HydrophobicContact CD1-CD1 4.1Å; L748-L758 HydrophobicContact CD1-CD2 4.01Å; L748-L758 HydrophobicContact CD2-CB 4.46Å; L748-L785 HydrophobicContact CB-CD1 4.06Å; L748-L785 HydrophobicContact CD1-CD2 3.97Å |
| 749 | K | 91.7 | Very high | 93.6 | Very high | 115 Ų | 115 | 45.7 Ų | 45.7 | 50% | 0.5 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -69.3 | -25.9 | 175.2 | -75.8 | 174.9 | 179.7 | 175.5 | 0 | 114.1 | I745 S746 L747 R755 | I745-K749 HydrophobicContact CG2-CD 4.35Å; I745-K749 WeakPolarHBondContact O-CG 3.34Å; I745-K749 PolarHBondContact O-N 3.45Å; I745-K749 VanDerWaalsContact O-N 3.08Å; S746-K749 WeakPolarHBondContact O-CB 3.15Å; S746-K749 PolarHBondContact O-N 3Å; L747-K749 VanDerWaalsContact C-N 3.29Å; L747-K749 PolarHBondContact O-N 3.28Å; K749-R755 PolarHBondContact O-NH2 2.89Å |
| 750 | D | 91.5 | Very high | 93.7 | Very high | 142 Ų | 142 | 45.1 Ų | 45.1 | 76% | 0.759 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -108 | -28 | -175.5 | -66.4 | -21.2 | 0 | 0 | 0 | 113.4 | S746 L747 L748 | S746-D750 PolarHBondContact O-N 3Å; L747-D750 PolarHBondContact O-N 3.37Å; L748-D750 VanDerWaalsContact C-N 3.32Å; L748-D750 PolarHBondContact O-N 2.86Å |
| 751 | N | 94.4 | Very high | 93.9 | Very high | 35 Ų | 35 | 44.4 Ų | 44.4 | 19% | 0.187 | 23% | 0.225 | C | C | . | . | trans | -100.1 | 102.9 | -178.5 | -168.1 | -57.4 | 0 | 0 | 0 | 111.6 | L738 L747 A753 L754 R755 | L738-N751 WeakPolarHBondContact CD1-ND2 3.4Å; L747-N751 HydrophobicContact CD1-CB 3.88Å; L747-N751 HydrophobicContact CG-CB 4.41Å; L747-N751 WeakPolarHBondContact O-CB 3.47Å; L747-N751 PolarHBondContact O-N 2.88Å; N751-A753 VanDerWaalsContact C-N 3.3Å; N751-A753 PolarHBondContact O-N 3.38Å; N751-A753 WeakPolarHBondContact OD1-CB 3.47Å; N751-A753 PolarHBondContact OD1-N 3.27Å; N751-L754 HydrophobicContact CB-CB 4.34Å; N751-L754 HydrophobicContact CB-CD1 4.39Å; N751-L754 PolarHBondContact OD1-N 3.46Å; N751-R755 VanDerWaalsContact O-CB 3.32Å; N751-R755 WeakPolarHBondContact O-CB 3.38Å; N751-R755 PolarHBondContact O-N 3.18Å | ||
| 752 | L | 94.8 | Very high | 94.2 | Very high | 66 Ų | 66 | 43.4 Ų | 43.4 | 35% | 0.346 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.5 | -37.9 | 179.7 | 179.5 | 62.6 | 0 | 0 | 0 | 113 | A537 R755 R756 | A537-L752 HydrophobicContact CB-CD2 4.21Å; L752-R755 PolarHBondContact O-N 3.45Å; L752-R756 HydrophobicContact CD1-CG 4.31Å; L752-R756 WeakPolarHBondContact O-CG 3.34Å; L752-R756 PolarHBondContact O-N 2.73Å |
| 753 | A | 95.9 | Very high | 94.4 | Very high | 8 Ų | 8 | 41 Ų | 41 | 7% | 0.066 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.3 | -48 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V534 Q535 Y735 N751 R756 G757 | V534-A753 HydrophobicContact CG1-CB 4.04Å; Q535-A753 PolarHBondContact N-O 3.22Å; Q535-A753 WeakPolarHBondContact O-CA 3.34Å; Y735-A753 HydrophobicContact CE1-CB 4.02Å; N751-A753 VanDerWaalsContact C-N 3.3Å; N751-A753 PolarHBondContact O-N 3.38Å; N751-A753 WeakPolarHBondContact OD1-CB 3.47Å; N751-A753 PolarHBondContact OD1-N 3.27Å; A753-R756 PolarHBondContact O-N 3.5Å; A753-G757 PolarHBondContact O-N 3.1Å; A753-G757 VanDerWaalsContact O-N 3.15Å |
| 754 | L | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.4 | -37.3 | 175.1 | -73.9 | 172.4 | 0 | 0 | 0 | 112.1 | I529 V534 Y735 L738 L739 L747 L748 N751 R756 G757 L758 | I529-L754 HydrophobicContact CD1-CD2 4.4Å; I529-L754 HydrophobicContact CG2-CD2 4.24Å; V534-L754 HydrophobicContact CG2-CD2 4.42Å; Y735-L754 HydrophobicContact CD1-CD1 4.34Å; Y735-L754 HydrophobicContact CD1-CD2 3.65Å; Y735-L754 HydrophobicContact CD1-CG 3.8Å; Y735-L754 HydrophobicContact CE1-CG 4.45Å; Y735-L754 HydrophobicContact CG-CD2 4.31Å; L738-L754 HydrophobicContact CB-CD1 4.21Å; L738-L754 HydrophobicContact CD1-CD1 4.32Å; L739-L754 HydrophobicContact CD1-CD2 4.26Å; L739-L754 HydrophobicContact CD2-CD1 4.18Å; L739-L754 HydrophobicContact CD2-CD2 4.4Å; L739-L754 HydrophobicContact CG-CD1 4.29Å; L739-L754 HydrophobicContact CG-CD2 4.39Å; L747-L754 HydrophobicContact CD1-CD1 4.12Å; L747-L754 HydrophobicContact CD2-CD1 3.56Å; L747-L754 HydrophobicContact CG-CD1 3.83Å; L748-L754 HydrophobicContact CD2-CB 4.12Å; N751-L754 HydrophobicContact CB-CB 4.34Å; N751-L754 HydrophobicContact CB-CD1 4.39Å; N751-L754 PolarHBondContact OD1-N 3.46Å; L754-R756 VanDerWaalsContact C-N 3.31Å; L754-R756 PolarHBondContact O-N 2.91Å; L754-G757 CarbonylContact O-C 3.54Å; L754-G757 WeakPolarHBondContact O-CA 3.24Å; L754-G757 PolarHBondContact O-N 3.4Å; L754-L758 PolarHBondContact O-N 3.02Å; L754-L758 VanDerWaalsContact O-N 3.08Å |
| 755 | R | 95.9 | Very high | 94.9 | Very high | 59 Ų | 59 | 37 Ų | 37 | 22% | 0.223 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.6 | -42 | 175.2 | -167.3 | -172.9 | -45.4 | 166.9 | 16.5 | 112.6 | L748 K749 N751 L752 G757 L758 V781 | L748-R755 VanDerWaalsContact O-CZ 3.24Å; L748-R755 PolarHBondContact O-NE 3.12Å; L748-R755 PolarHBondContact O-NH2 3.14Å; L748-R755 VanDerWaalsContact O-NH2 3.07Å; K749-R755 PolarHBondContact O-NH2 2.89Å; N751-R755 VanDerWaalsContact O-CB 3.32Å; N751-R755 WeakPolarHBondContact O-CB 3.38Å; N751-R755 PolarHBondContact O-N 3.18Å; L752-R755 PolarHBondContact O-N 3.45Å; R755-G757 VanDerWaalsContact C-N 3.28Å; R755-L758 WeakPolarHBondContact O-CB 3.48Å; R755-L758 PolarHBondContact O-N 3.36Å; R755-V781 HydrophobicContact CG-CB 4.25Å; R755-V781 HydrophobicContact CG-CG1 3.62Å; R755-V781 HydrophobicContact CG-CG2 4.45Å |
| 756 | R | 94.8 | Very high | 95 | Very high | 86 Ų | 86 | 34.7 Ų | 34.7 | 33% | 0.325 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -70.4 | -25.8 | 175.1 | -75.1 | 172.8 | 169.1 | -170.1 | -6.7 | 112.7 | N533 Q535 P536 N539 L752 A753 L754 I767 | N533-R756 CarbonylContact O-C 3.59Å; Q535-R756 HydrophobicContact CB-CB 4.34Å; Q535-R756 WeakPolarHBondContact O-CD 3.49Å; P536-R756 PolarHBondContact O-NH1 3.41Å; N539-R756 PolarHBondContact OD1-NH1 3.01Å; N539-R756 VanDerWaalsContact OD1-NH1 3.14Å; L752-R756 HydrophobicContact CD1-CG 4.31Å; L752-R756 WeakPolarHBondContact O-CG 3.34Å; L752-R756 PolarHBondContact O-N 2.73Å; A753-R756 PolarHBondContact O-N 3.5Å; L754-R756 VanDerWaalsContact C-N 3.31Å; L754-R756 PolarHBondContact O-N 2.91Å; R756-I767 WeakPolarHBondContact O-CD1 3.38Å |
| 757 | G | 95.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -74.8 | -21.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | I529 A530 N533 A753 L754 R755 N759 | I529-G757 WeakPolarHBondContact CA-O 3.46Å; A530-G757 PolarHBondContact N-O 3.35Å; N533-G757 PolarHBondContact O-N 2.87Å; A753-G757 PolarHBondContact O-N 3.1Å; A753-G757 VanDerWaalsContact O-N 3.15Å; L754-G757 CarbonylContact O-C 3.54Å; L754-G757 WeakPolarHBondContact O-CA 3.24Å; L754-G757 PolarHBondContact O-N 3.4Å; R755-G757 VanDerWaalsContact C-N 3.28Å; G757-N759 PolarHBondContact O-N 2.9Å; G757-N759 PolarHBondContact O-ND2 3.35Å |
| 758 | L | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 117.3 | -178.7 | -171.8 | 71.7 | 0 | 0 | 0 | 110.5 | I529 L748 L754 R755 T766 I767 V781 | I529-L758 HydrophobicContact CG1-CD1 4.02Å; L748-L758 HydrophobicContact CD1-CD1 4.1Å; L748-L758 HydrophobicContact CD1-CD2 4.01Å; L748-L758 HydrophobicContact CD2-CB 4.46Å; L754-L758 PolarHBondContact O-N 3.02Å; L754-L758 VanDerWaalsContact O-N 3.08Å; R755-L758 WeakPolarHBondContact O-CB 3.48Å; R755-L758 PolarHBondContact O-N 3.36Å; L758-T766 HydrophobicContact CD2-CG2 4.36Å; L758-T766 PolarHBondContact O-OG1 2.6Å; L758-I767 WeakPolarHBondContact O-CD1 3.44Å; L758-V781 HydrophobicContact CD2-CG1 3.8Å; L758-V781 HydrophobicContact CD2-CG2 4.44Å |
| 759 | N | 96.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -46.8 | -178 | -94.3 | -112.4 | 0 | 0 | 0 | 112.1 | L509 L511 S528 A530 N533 G757 L765 T766 I767 | L509-N759 HydrophobicContact CD1-CB 3.85Å; L511-N759 HydrophobicContact CD1-CB 3.88Å; L511-N759 WeakPolarHBondContact CD1-OD1 3.42Å; S528-N759 PolarHBondContact O-N 2.82Å; A530-N759 WeakPolarHBondContact CB-ND2 3.43Å; N533-N759 PolarHBondContact OD1-ND2 2.87Å; G757-N759 PolarHBondContact O-N 2.9Å; G757-N759 PolarHBondContact O-ND2 3.35Å; N759-L765 WeakPolarHBondContact O-CD1 3.39Å; N759-T766 WeakPolarHBondContact CA-OG1 3.24Å; N759-T766 PolarHBondContact O-N 3.39Å; N759-T766 PolarHBondContact O-OG1 2.82Å; N759-I767 HydrophobicContact CB-CG1 4.44Å |
| 760 | T | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 143 | 176 | 67.1 | 0 | 0 | 0 | 0 | 111.4 | L511 L521 L522 V526 H527 S528 K764 | L511-T760 HydrophobicContact CD1-CG2 4.31Å; L521-T760 HydrophobicContact CB-CG2 3.99Å; L521-T760 HydrophobicContact CD1-CG2 4.4Å; L522-T760 HydrophobicContact CD2-CG2 3.88Å; L522-T760 HydrophobicContact CG-CG2 4.4Å; V526-T760 CarbonylContact O-C 3.04Å; V526-T760 PolarHBondContact O-OG1 2.96Å; H527-T760 CarbonylContact C-O 3.43Å; H527-T760 WeakPolarHBondContact CA-O 3.38Å; S528-T760 WeakPolarHBondContact CB-OG1 3.35Å; S528-T760 PolarHBondContact N-O 3.1Å; S528-T760 PolarHBondContact N-OG1 2.83Å; S528-T760 PolarHBondContact O-N 3.42Å; S528-T760 WeakPolarHBondContact OG-CB 3.47Å; S528-T760 PolarHBondContact OG-N 3.46Å; S528-T760 PolarHBondContact OG-OG1 3.49Å; T760-K764 CarbonylContact C-O 3.47Å; T760-K764 VanDerWaalsContact CA-O 3.24Å; T760-K764 WeakPolarHBondContact CA-O 3.5Å |
| 761 | Y | 95.7 | Very high | 95.3 | Very high | 10 Ų | 10 | 26.3 Ų | 26.3 | 4% | 0.039 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 122.1 | 175.6 | -175.4 | -93.7 | 0 | 0 | 0 | 109.9 | H527 L744 I745 G763 K764 A784 L785 | H527-Y761 HydrophobicContact CB-CD2 4.48Å; H527-Y761 AromaticContact CD2-CD2 3.81Å; H527-Y761 AromaticContact CE1-CE2 3.73Å; H527-Y761 AromaticContact CG-CD2 3.85Å; H527-Y761 AromaticContact ND1-CE2 3.83Å; H527-Y761 AromaticContact NE2-CE2 3.9Å; L744-Y761 HydrophobicContact CD2-CE2 4.45Å; I745-Y761 WeakPolarHBondContact CD1-OH 3.29Å; I745-Y761 WeakPolarHBondContact CG1-OH 3.41Å; Y761-G763 PolarHBondContact O-N 2.91Å; Y761-G763 VanDerWaalsContact O-N 3.1Å; Y761-K764 PolarHBondContact N-O 3.15Å; Y761-K764 WeakPolarHBondContact O-CB 3.39Å; Y761-K764 PolarHBondContact O-N 3.32Å; Y761-A784 HydrophobicContact CD1-CB 4.28Å; Y761-A784 VanDerWaalsContact CD1-O 3.31Å; Y761-A784 WeakPolarHBondContact CD1-O 3.31Å; Y761-A784 VanDerWaalsContact CE1-O 3.3Å; Y761-A784 WeakPolarHBondContact CE1-O 3.21Å; Y761-L785 HydrophobicContact CD1-CD2 4.26Å; Y761-L785 HydrophobicContact CD2-CD2 4.09Å; Y761-L785 HydrophobicContact CE1-CD2 3.98Å; Y761-L785 HydrophobicContact CE2-CD2 3.79Å; Y761-L785 HydrophobicContact CG-CD2 4.31Å |
| 762 | N | 93.4 | Very high | 95.3 | Very high | 56 Ų | 56 | 29.9 Ų | 29.9 | 30% | 0.299 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.8 | 44 | 180 | -76.3 | -15.4 | 0 | 0 | 0 | 113.8 | H527 K764 | H527-N762 PolarHBondContact NE2-OD1 3.38Å; N762-K764 VanDerWaalsContact C-N 3.31Å; N762-K764 PolarHBondContact O-N 3.01Å |
| 763 | G | 94.9 | Very high | 95.1 | Very high | 30 Ų | 30 | 29.7 Ų | 29.7 | 31% | 0.309 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 11 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | L522 Y761 | L522-G763 WeakPolarHBondContact CD2-O 3.41Å; L522-G763 WeakPolarHBondContact O-CA 3.41Å; Y761-G763 PolarHBondContact O-N 2.91Å; Y761-G763 VanDerWaalsContact O-N 3.1Å |
| 764 | K | 95.8 | Very high | 95 | Very high | 36 Ų | 36 | 30 Ų | 30 | 16% | 0.157 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 141.5 | 175.1 | -61.5 | 174.4 | 178.6 | 175.6 | 0 | 111.1 | T760 Y761 N762 F779 T783 A784 | T760-K764 CarbonylContact C-O 3.47Å; T760-K764 VanDerWaalsContact CA-O 3.24Å; T760-K764 WeakPolarHBondContact CA-O 3.5Å; Y761-K764 PolarHBondContact N-O 3.15Å; Y761-K764 WeakPolarHBondContact O-CB 3.39Å; Y761-K764 PolarHBondContact O-N 3.32Å; N762-K764 VanDerWaalsContact C-N 3.31Å; N762-K764 PolarHBondContact O-N 3.01Å; K764-F779 HydrophobicContact CB-CB 3.98Å; K764-F779 HydrophobicContact CB-CD2 3.71Å; K764-F779 HydrophobicContact CB-CE2 4.36Å; K764-F779 HydrophobicContact CB-CG 3.87Å; K764-F779 HydrophobicContact CD-CB 4.22Å; K764-F779 HydrophobicContact CD-CD1 4.1Å; K764-F779 HydrophobicContact CD-CG 4.04Å; K764-F779 HydrophobicContact CG-CB 4.41Å; K764-F779 HydrophobicContact CG-CD1 4.27Å; K764-F779 HydrophobicContact CG-CD2 3.97Å; K764-F779 HydrophobicContact CG-CE2 4.27Å; K764-F779 HydrophobicContact CG-CG 3.95Å; K764-T783 PolarHBondContact NZ-O 2.94Å; K764-A784 HydrophobicContact CB-CB 4.42Å; K764-A784 HydrophobicContact CD-CB 3.9Å |
| 765 | L | 97 | Very high | 94.9 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 123.1 | 174.6 | 179.7 | 63.3 | 0 | 0 | 0 | 109.8 | L511 T518 L522 N759 V770 A771 L776 F779 | L511-L765 HydrophobicContact CD1-CD1 4.33Å; T518-L765 HydrophobicContact CG2-CD1 4.17Å; T518-L765 HydrophobicContact CG2-CD2 4.36Å; L522-L765 HydrophobicContact CD1-CB 4.4Å; L522-L765 HydrophobicContact CD2-CB 4.01Å; N759-L765 WeakPolarHBondContact O-CD1 3.39Å; L765-V770 HydrophobicContact CD1-CB 4.46Å; L765-V770 HydrophobicContact CD1-CG1 3.99Å; L765-V770 HydrophobicContact CD2-CG1 4.13Å; L765-A771 HydrophobicContact CD2-CB 3.71Å; L765-A771 HydrophobicContact CG-CB 4.41Å; L765-L776 HydrophobicContact CD2-CB 3.99Å; L765-L776 HydrophobicContact CD2-CD1 4.22Å; L765-F779 PolarHBondContact O-N 2.91Å |
| 766 | T | 96.2 | Very high | 94.9 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | trans | -110 | 1.1 | -169.1 | 50.6 | 0 | 0 | 0 | 0 | 115.1 | L758 N759 Y778 F779 V781 A784 | L758-T766 HydrophobicContact CD2-CG2 4.36Å; L758-T766 PolarHBondContact O-OG1 2.6Å; N759-T766 WeakPolarHBondContact CA-OG1 3.24Å; N759-T766 PolarHBondContact O-N 3.39Å; N759-T766 PolarHBondContact O-OG1 2.82Å; T766-Y778 WeakPolarHBondContact O-CE2 3.22Å; T766-F779 WeakPolarHBondContact CA-O 3.41Å; T766-V781 HydrophobicContact CG2-CG2 4.23Å; T766-A784 HydrophobicContact CG2-CB 3.75Å | ||
| 767 | I | 94.9 | Very high | 94.9 | Very high | 24 Ų | 24 | 35.7 Ų | 35.7 | 12% | 0.123 | 20% | 0.198 | C | C | . | . | trans | -104.8 | 114.2 | 173.2 | -56 | -62.3 | 0 | 0 | 0 | 109.6 | R756 L758 N759 A769 V770 A771 | R756-I767 WeakPolarHBondContact O-CD1 3.38Å; L758-I767 WeakPolarHBondContact O-CD1 3.44Å; N759-I767 HydrophobicContact CB-CG1 4.44Å; I767-A769 HydrophobicContact CG2-CB 4.23Å; I767-A769 PolarHBondContact O-N 2.96Å; I767-V770 HydrophobicContact CB-CB 4.1Å; I767-V770 HydrophobicContact CB-CG2 3.89Å; I767-V770 HydrophobicContact CG2-CB 4.13Å; I767-V770 HydrophobicContact CG2-CG2 3.64Å; I767-V770 PolarHBondContact O-N 3.39Å; I767-A771 PolarHBondContact O-N 2.97Å; I767-A771 VanDerWaalsContact O-N 3.08Å | ||
| 768 | E | 94.7 | Very high | 94.9 | Very high | 112 Ų | 112 | 40.1 Ų | 40.1 | 52% | 0.523 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.7 | -44.7 | -178.7 | -176.3 | 173.4 | -154.7 | 0 | 0 | 112.4 | V770 A771 I772 Y778 | E768-V770 VanDerWaalsContact C-N 3.35Å; E768-V770 PolarHBondContact O-N 3.24Å; E768-A771 WeakPolarHBondContact O-CB 3.22Å; E768-A771 PolarHBondContact O-N 3.42Å; E768-A771 VanDerWaalsContact O-N 3.14Å; E768-I772 HydrophobicContact CG-CD1 3.95Å; E768-I772 WeakPolarHBondContact O-CG1 3.5Å; E768-I772 PolarHBondContact O-N 2.9Å; E768-Y778 HydrophobicContact CB-CD1 4.22Å; E768-Y778 HydrophobicContact CB-CD2 4.04Å; E768-Y778 HydrophobicContact CB-CE1 4.06Å; E768-Y778 HydrophobicContact CB-CE2 3.91Å; E768-Y778 HydrophobicContact CB-CG 4.21Å; E768-Y778 HydrophobicContact CG-CD1 4.15Å; E768-Y778 HydrophobicContact CG-CE1 4.21Å; E768-Y778 HydrophobicContact CG-CG 4.41Å |
| 769 | A | 91.8 | Very high | 94.9 | Very high | 13 Ų | 13 | 43.6 Ų | 43.6 | 11% | 0.107 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.6 | -44 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G657 H658 I767 I772 D773 | G657-A769 WeakPolarHBondContact O-CB 3.38Å; H658-A769 VanDerWaalsContact CE1-CB 3.42Å; H658-A769 WeakPolarHBondContact CE1-CB 3.5Å; H658-A769 WeakPolarHBondContact NE2-CB 3.35Å; I767-A769 HydrophobicContact CG2-CB 4.23Å; I767-A769 PolarHBondContact O-N 2.96Å; A769-I772 PolarHBondContact O-N 3.18Å; A769-D773 WeakPolarHBondContact O-CB 3.41Å; A769-D773 PolarHBondContact O-N 3.43Å |
| 770 | V | 93.5 | Very high | 94.7 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.3 | -40.6 | 176.4 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | L511 A512 L765 I767 E768 I772 D773 L774 | L511-V770 HydrophobicContact CB-CG1 3.59Å; L511-V770 HydrophobicContact CB-CG2 4.17Å; A512-V770 HydrophobicContact CB-CG2 4.2Å; L765-V770 HydrophobicContact CD1-CB 4.46Å; L765-V770 HydrophobicContact CD1-CG1 3.99Å; L765-V770 HydrophobicContact CD2-CG1 4.13Å; I767-V770 HydrophobicContact CB-CB 4.1Å; I767-V770 HydrophobicContact CB-CG2 3.89Å; I767-V770 HydrophobicContact CG2-CB 4.13Å; I767-V770 HydrophobicContact CG2-CG2 3.64Å; I767-V770 PolarHBondContact O-N 3.39Å; E768-V770 VanDerWaalsContact C-N 3.35Å; E768-V770 PolarHBondContact O-N 3.24Å; V770-I772 VanDerWaalsContact C-N 3.33Å; V770-I772 PolarHBondContact O-N 3.43Å; V770-D773 PolarHBondContact O-N 3.14Å; V770-L774 HydrophobicContact CG1-CD1 3.84Å; V770-L774 HydrophobicContact CG1-CG 4.26Å; V770-L774 VanDerWaalsContact O-CB 3.27Å; V770-L774 WeakPolarHBondContact O-CB 3.45Å; V770-L774 WeakPolarHBondContact O-CG 3.44Å; V770-L774 PolarHBondContact O-N 3.01Å |
| 771 | A | 94.6 | Very high | 94.4 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.8 | -41 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L765 I767 E768 D775 L776 | L765-A771 HydrophobicContact CD2-CB 3.71Å; L765-A771 HydrophobicContact CG-CB 4.41Å; I767-A771 PolarHBondContact O-N 2.97Å; I767-A771 VanDerWaalsContact O-N 3.08Å; E768-A771 WeakPolarHBondContact O-CB 3.22Å; E768-A771 PolarHBondContact O-N 3.42Å; E768-A771 VanDerWaalsContact O-N 3.14Å; A771-D775 WeakPolarHBondContact O-CA 3.39Å; A771-D775 PolarHBondContact O-N 3.3Å; A771-L776 WeakPolarHBondContact CB-O 3.09Å; A771-L776 PolarHBondContact O-N 3.45Å |
| 772 | I | 93.6 | Very high | 94.1 | Very high | 111 Ų | 111 | 51.2 Ų | 51.2 | 57% | 0.569 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.8 | -52.9 | 174.8 | -67.7 | 166.6 | 0 | 0 | 0 | 110.6 | E768 A769 V770 L774 D775 | E768-I772 HydrophobicContact CG-CD1 3.95Å; E768-I772 WeakPolarHBondContact O-CG1 3.5Å; E768-I772 PolarHBondContact O-N 2.9Å; A769-I772 PolarHBondContact O-N 3.18Å; V770-I772 VanDerWaalsContact C-N 3.33Å; V770-I772 PolarHBondContact O-N 3.43Å; I772-L774 PolarHBondContact O-N 2.89Å; I772-D775 PolarHBondContact O-N 2.93Å |
| 773 | D | 91.1 | Very high | 93.8 | Very high | 62 Ų | 62 | 52 Ų | 52 | 33% | 0.332 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.7 | -29.2 | -175.4 | -75.2 | -2.4 | 0 | 0 | 0 | 112.6 | A512 H658 R659 A769 V770 | A512-D773 HydrophobicContact CB-CB 4.37Å; H658-D773 VanDerWaalsContact CA-OD2 3.28Å; H658-D773 WeakPolarHBondContact CA-OD2 3.38Å; H658-D773 IonicContact ND1-OD1 2.73Å; H658-D773 IonicContact ND1-OD2 3.83Å; R659-D773 PolarHBondContact N-OD2 3.28Å; A769-D773 WeakPolarHBondContact O-CB 3.41Å; A769-D773 PolarHBondContact O-N 3.43Å; V770-D773 PolarHBondContact O-N 3.14Å |
| 774 | L | 93.8 | Very high | 93.4 | Very high | 14 Ų | 14 | 50.6 Ų | 50.6 | 7% | 0.073 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -99.9 | -4.2 | -179.3 | -63.9 | -171 | 0 | 0 | 0 | 115.1 | L511 A512 K515 T518 V770 I772 L776 | L511-L774 WeakPolarHBondContact O-CD1 3.2Å; A512-L774 WeakPolarHBondContact O-CD2 3.5Å; K515-L774 HydrophobicContact CB-CD1 4.45Å; K515-L774 HydrophobicContact CB-CD2 3.94Å; K515-L774 VanDerWaalsContact CE-O 3.27Å; K515-L774 WeakPolarHBondContact CE-O 3.45Å; K515-L774 HydrophobicContact CG-CD2 4.42Å; K515-L774 PolarHBondContact NZ-O 3.35Å; T518-L774 HydrophobicContact CG2-CD1 3.88Å; T518-L774 VanDerWaalsContact OG1-CD1 3.3Å; T518-L774 WeakPolarHBondContact OG1-CD1 3.45Å; V770-L774 HydrophobicContact CG1-CD1 3.84Å; V770-L774 HydrophobicContact CG1-CG 4.26Å; V770-L774 VanDerWaalsContact O-CB 3.27Å; V770-L774 WeakPolarHBondContact O-CB 3.45Å; V770-L774 WeakPolarHBondContact O-CG 3.44Å; V770-L774 PolarHBondContact O-N 3.01Å; I772-L774 PolarHBondContact O-N 2.89Å; L774-L776 HydrophobicContact CB-CD1 3.88Å; L774-L776 HydrophobicContact CB-CG 4.02Å; L774-L776 HydrophobicContact CD1-CD1 3.95Å |
| 775 | D | 95 | Very high | 92.9 | Very high | 140 Ų | 140 | 49.6 Ų | 49.6 | 75% | 0.749 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 61.4 | -172.5 | -173.1 | 39.7 | 0 | 0 | 0 | 111.4 | A771 I772 | A771-D775 WeakPolarHBondContact O-CA 3.39Å; A771-D775 PolarHBondContact O-N 3.3Å; I772-D775 PolarHBondContact O-N 2.93Å |
| 776 | L | 95.5 | Very high | 91.9 | Very high | 35 Ų | 35 | 57.2 Ų | 57.2 | 18% | 0.183 | 30% | 0.3 | C | S | . | . | trans | -131.3 | 157.2 | -179.7 | -69.4 | 176.2 | 0 | 0 | 0 | 111.4 | T518 L522 L765 A771 L774 Y778 | T518-L776 HydrophobicContact CG2-CD1 3.65Å; L522-L776 HydrophobicContact CD1-CD1 4.45Å; L765-L776 HydrophobicContact CD2-CB 3.99Å; L765-L776 HydrophobicContact CD2-CD1 4.22Å; A771-L776 WeakPolarHBondContact CB-O 3.09Å; A771-L776 PolarHBondContact O-N 3.45Å; L774-L776 HydrophobicContact CB-CD1 3.88Å; L774-L776 HydrophobicContact CB-CG 4.02Å; L774-L776 HydrophobicContact CD1-CD1 3.95Å; L776-Y778 PolarHBondContact O-N 3.23Å | ||
| 777 | P | 94.7 | Very high | 90.2 | Very high | 89 Ų | 89 | 61.5 Ų | 61.5 | 58% | 0.578 | 34% | 0.336 | S | S | * | . | trans | -65.9 | 128.9 | 177.1 | -20.9 | 33.3 | 0 | 0 | 0 | 112.9 | F779 | P777-F779 HydrophobicContact CB-CE2 3.81Å; P777-F779 HydrophobicContact CB-CZ 4.23Å | ||
| 778 | Y | 96 | Very high | 89.9 | Confident | 93 Ų | 93 | 63.4 Ų | 63.4 | 37% | 0.365 | 35% | 0.346 | S | S | . | . | B | Isolated β-bridge | trans | -91.7 | 137.8 | 173.6 | 168.7 | -124.6 | 0 | 0 | 0 | 111.6 | T766 E768 L776 P780 | T766-Y778 WeakPolarHBondContact O-CE2 3.22Å; E768-Y778 HydrophobicContact CB-CD1 4.22Å; E768-Y778 HydrophobicContact CB-CD2 4.04Å; E768-Y778 HydrophobicContact CB-CE1 4.06Å; E768-Y778 HydrophobicContact CB-CE2 3.91Å; E768-Y778 HydrophobicContact CB-CG 4.21Å; E768-Y778 HydrophobicContact CG-CD1 4.15Å; E768-Y778 HydrophobicContact CG-CE1 4.21Å; E768-Y778 HydrophobicContact CG-CG 4.41Å; L776-Y778 PolarHBondContact O-N 3.23Å; Y778-P780 HydrophobicContact CE1-CG 4.09Å |
| 779 | F | 95.9 | Very high | 89.7 | Confident | 74 Ų | 74 | 60.8 Ų | 60.8 | 33% | 0.325 | 34% | 0.337 | S | S | . | . | trans | -126 | 120.7 | 173.1 | -63 | -90.8 | 0 | 0 | 0 | 110.4 | K764 L765 T766 P777 V781 | K764-F779 HydrophobicContact CB-CB 3.98Å; K764-F779 HydrophobicContact CB-CD2 3.71Å; K764-F779 HydrophobicContact CB-CE2 4.36Å; K764-F779 HydrophobicContact CB-CG 3.87Å; K764-F779 HydrophobicContact CD-CB 4.22Å; K764-F779 HydrophobicContact CD-CD1 4.1Å; K764-F779 HydrophobicContact CD-CG 4.04Å; K764-F779 HydrophobicContact CG-CB 4.41Å; K764-F779 HydrophobicContact CG-CD1 4.27Å; K764-F779 HydrophobicContact CG-CD2 3.97Å; K764-F779 HydrophobicContact CG-CE2 4.27Å; K764-F779 HydrophobicContact CG-CG 3.95Å; L765-F779 PolarHBondContact O-N 2.91Å; T766-F779 WeakPolarHBondContact CA-O 3.41Å; P777-F779 HydrophobicContact CB-CE2 3.81Å; P777-F779 HydrophobicContact CB-CZ 4.23Å; F779-V781 PolarHBondContact O-N 2.96Å | ||
| 780 | P | 93.6 | Very high | 89.6 | Confident | 57 Ų | 57 | 63.4 Ų | 63.4 | 37% | 0.37 | 35% | 0.35 | S | S | . | . | trans | -55.9 | 138.3 | 172.9 | -25.4 | 34.5 | 0 | 0 | 0 | 111.5 | Y778 N782 T783 A784 | Y778-P780 HydrophobicContact CE1-CG 4.09Å; P780-N782 VanDerWaalsContact C-N 3.28Å; P780-N782 PolarHBondContact O-N 3.17Å; P780-T783 WeakPolarHBondContact O-CB 3.44Å; P780-T783 PolarHBondContact O-N 3.07Å; P780-A784 PolarHBondContact O-N 3.05Å | ||
| 781 | V | 91.7 | Very high | 89.3 | Confident | 21 Ų | 21 | 67 Ų | 67 | 13% | 0.127 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -52.2 | -44.7 | -175.5 | 176 | 0 | 0 | 0 | 0 | 112.3 | R755 L758 T766 F779 T783 A784 L785 | R755-V781 HydrophobicContact CG-CB 4.25Å; R755-V781 HydrophobicContact CG-CG1 3.62Å; R755-V781 HydrophobicContact CG-CG2 4.45Å; L758-V781 HydrophobicContact CD2-CG1 3.8Å; L758-V781 HydrophobicContact CD2-CG2 4.44Å; T766-V781 HydrophobicContact CG2-CG2 4.23Å; F779-V781 PolarHBondContact O-N 2.96Å; V781-T783 VanDerWaalsContact C-N 3.3Å; V781-T783 PolarHBondContact O-N 3.27Å; V781-A784 WeakPolarHBondContact O-CA 3.12Å; V781-A784 WeakPolarHBondContact O-CB 3.49Å; V781-A784 PolarHBondContact O-N 3.37Å; V781-L785 HydrophobicContact CG1-CD1 3.86Å; V781-L785 HydrophobicContact CG1-CG 4.18Å; V781-L785 WeakPolarHBondContact O-CG 3.21Å; V781-L785 PolarHBondContact O-N 3.21Å |
| 782 | N | 87.8 | Confident | 89 | Confident | 93 Ų | 93 | 70.9 Ų | 70.9 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | -179.8 | -64.7 | -13.5 | 0 | 0 | 0 | 111.9 | P780 A784 L785 E786 | P780-N782 VanDerWaalsContact C-N 3.28Å; P780-N782 PolarHBondContact O-N 3.17Å; N782-A784 VanDerWaalsContact C-N 3.33Å; N782-L785 PolarHBondContact O-N 2.87Å; N782-E786 WeakPolarHBondContact O-CG 3.38Å; N782-E786 PolarHBondContact O-N 3.1Å |
| 783 | T | 88 | Confident | 88.7 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 45% | 0.448 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -71.9 | -27.2 | 175.7 | -48.8 | 0 | 0 | 0 | 0 | 112.5 | K764 P780 V781 | K764-T783 PolarHBondContact NZ-O 2.94Å; P780-T783 WeakPolarHBondContact O-CB 3.44Å; P780-T783 PolarHBondContact O-N 3.07Å; V781-T783 VanDerWaalsContact C-N 3.3Å; V781-T783 PolarHBondContact O-N 3.27Å |
| 784 | A | 85.4 | Confident | 88.5 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.3 | -39.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y761 K764 T766 P780 V781 N782 | Y761-A784 HydrophobicContact CD1-CB 4.28Å; Y761-A784 VanDerWaalsContact CD1-O 3.31Å; Y761-A784 WeakPolarHBondContact CD1-O 3.31Å; Y761-A784 VanDerWaalsContact CE1-O 3.3Å; Y761-A784 WeakPolarHBondContact CE1-O 3.21Å; K764-A784 HydrophobicContact CB-CB 4.42Å; K764-A784 HydrophobicContact CD-CB 3.9Å; T766-A784 HydrophobicContact CG2-CB 3.75Å; P780-A784 PolarHBondContact O-N 3.05Å; V781-A784 WeakPolarHBondContact O-CA 3.12Å; V781-A784 WeakPolarHBondContact O-CB 3.49Å; V781-A784 PolarHBondContact O-N 3.37Å; N782-A784 VanDerWaalsContact C-N 3.33Å |
| 785 | L | 86.4 | Confident | 88.1 | Confident | 14 Ų | 14 | 72.8 Ų | 72.8 | 7% | 0.073 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -77.1 | -18.4 | -178.3 | -65.1 | 175.8 | 0 | 0 | 0 | 114.6 | L748 Y761 V781 N782 | L748-L785 HydrophobicContact CB-CD1 4.06Å; L748-L785 HydrophobicContact CD1-CD2 3.97Å; Y761-L785 HydrophobicContact CD1-CD2 4.26Å; Y761-L785 HydrophobicContact CD2-CD2 4.09Å; Y761-L785 HydrophobicContact CE1-CD2 3.98Å; Y761-L785 HydrophobicContact CE2-CD2 3.79Å; Y761-L785 HydrophobicContact CG-CD2 4.31Å; V781-L785 HydrophobicContact CG1-CD1 3.86Å; V781-L785 HydrophobicContact CG1-CG 4.18Å; V781-L785 WeakPolarHBondContact O-CG 3.21Å; V781-L785 PolarHBondContact O-N 3.21Å; N782-L785 PolarHBondContact O-N 2.87Å |
| 786 | E | 75.9 | Confident | 87.6 | Confident | 162 Ų | 162 | 67.3 Ų | 67.3 | 76% | 0.757 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -5.8 | -177.8 | -75.6 | 173.6 | 179.3 | 0 | 0 | 114.6 | N782 | N782-E786 WeakPolarHBondContact O-CG 3.38Å; N782-E786 PolarHBondContact O-N 3.1Å |
| 787 | A | 60 | Low | 86.8 | Confident | 96 Ų | 96 | 70.2 Ų | 70.2 | 79% | 0.793 | 39% | 0.394 | S | S | * | . | trans | -120.8 | 0 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 |
Retrieved 787 of 787 residues in 1627 ms
(Link to these results)