| 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 | 29.5 | Very low | 79 | Confident | 244 Ų | 244 | 95.7 Ų | 95.7 | 100% | 1.202 | 53% | 0.529 | S | S | * | . | 0 | 114.9 | 0 | -69.5 | 175.5 | -177.4 | 0 | 0 | 106.1 | S3 | M1-S3 PolarHBondContact O-N 3.12Å; M1-S3 VanDerWaalsContact O-N 3.14Å | |||
| 2 | S | 36.2 | Very low | 80.5 | Confident | 126 Ų | 126 | 95.4 Ų | 95.4 | 88% | 0.881 | 52% | 0.518 | S | S | * | . | trans | -62.4 | 113.7 | 173.2 | -172.4 | 0 | 0 | 0 | 0 | 106.8 | S4 | S2-S4 PolarHBondContact O-N 3.36Š| ||
| 3 | S | 55.3 | Low | 81.7 | Confident | 71 Ų | 71 | 88.3 Ų | 88.3 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 123.2 | 171.1 | 50.9 | 0 | 0 | 0 | 0 | 107.3 | M1 V5 | M1-S3 PolarHBondContact O-N 3.12Å; M1-S3 VanDerWaalsContact O-N 3.14Å; S3-V5 PolarHBondContact O-N 3.44Å |
| 4 | S | 80.3 | Confident | 82.7 | Confident | 97 Ų | 97 | 89.6 Ų | 89.6 | 68% | 0.678 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 130.4 | 171.5 | 48.7 | 0 | 0 | 0 | 0 | 109.4 | S2 | S2-S4 PolarHBondContact O-N 3.36Š|
| 5 | V | 90.2 | Very high | 83.7 | Confident | 53 Ų | 53 | 90.6 Ų | 90.6 | 32% | 0.321 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 128 | 173.7 | 180 | 0 | 0 | 0 | 0 | 107.7 | S3 R124 W131 E133 | S3-V5 PolarHBondContact O-N 3.44Å; V5-R124 HydrophobicContact CG1-CG 4.49Å; V5-W131 CarbonylContact C-O 3.52Å; V5-W131 WeakPolarHBondContact CA-O 3.44Å; V5-W131 HydrophobicContact CG1-CB 4.45Å; V5-W131 HydrophobicContact CG2-CB 4.32Å; V5-E133 HydrophobicContact CG1-CB 3.71Å |
| 6 | Q | 94.9 | Very high | 84.6 | Confident | 86 Ų | 86 | 87.2 Ų | 87.2 | 40% | 0.402 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 146.7 | 173.8 | -72.2 | -169.2 | -17.1 | 0 | 0 | 110.3 | E130 W131 T132 E133 | Q6-E130 VanDerWaalsContact CD-OE2 3.28Å; Q6-E130 VanDerWaalsContact NE2-CD 3.32Å; Q6-E130 PolarHBondContact NE2-OE2 2.86Å; Q6-W131 PolarHBondContact N-O 2.91Å; Q6-T132 CarbonylContact O-C 3.59Å; Q6-T132 VanDerWaalsContact O-CA 3.31Å; Q6-T132 WeakPolarHBondContact O-CA 3.34Å; Q6-E133 PolarHBondContact O-N 2.88Å |
| 7 | L | 96.4 | Very high | 85.3 | Confident | 60 Ų | 60 | 83.6 Ų | 83.6 | 31% | 0.314 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 120.8 | 177.5 | -57.5 | 177.1 | 0 | 0 | 0 | 108.7 | K9 D10 K12 E133 | L7-K9 PolarHBondContact O-N 2.74Å; L7-D10 PolarHBondContact O-N 3.33Å; L7-K12 HydrophobicContact CD1-CD 4.43Å; L7-K12 HydrophobicContact CD1-CG 3.43Å; L7-K12 VanDerWaalsContact CD1-CG 3.43Å; L7-E133 HydrophobicContact CD2-CB 4.24Å |
| 8 | F | 96.6 | Very high | 86 | Confident | 44 Ų | 44 | 81 Ų | 81 | 19% | 0.193 | 44% | 0.439 | C | S | . | . | G | 310 helix | trans | -67.1 | 123.9 | 173.8 | -174 | -108.4 | 0 | 0 | 0 | 109.2 | D10 Q11 T132 E133 V134 K169 L170 | F8-D10 PolarHBondContact O-N 3.23Å; F8-Q11 PolarHBondContact O-N 3.38Å; F8-T132 HydrophobicContact CB-CG2 3.88Å; F8-E133 WeakPolarHBondContact CB-O 3.31Å; F8-E133 PolarHBondContact N-O 2.72Å; F8-V134 HydrophobicContact CB-CG2 4Å; F8-V134 HydrophobicContact CD1-CG1 4.32Å; F8-V134 HydrophobicContact CG-CG2 4.37Å; F8-K169 HydrophobicContact CD1-CD 4.44Å; F8-K169 HydrophobicContact CD1-CG 4.36Å; F8-K169 HydrophobicContact CE1-CD 4.24Å; F8-K169 HydrophobicContact CE1-CG 3.76Å; F8-L170 HydrophobicContact CD1-CD2 4.46Å; F8-L170 HydrophobicContact CD2-CD2 3.51Å; F8-L170 HydrophobicContact CE2-CD2 3.68Å; F8-L170 HydrophobicContact CG-CD2 3.93Å; F8-L170 HydrophobicContact CZ-CD2 4.22Å |
| 9 | K | 95.8 | Very high | 86.6 | Confident | 113 Ų | 113 | 81.1 Ų | 81.1 | 49% | 0.491 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | 56.3 | 29.9 | -179.1 | -57.5 | -65 | -159.2 | 117.2 | 0 | 113.6 | L7 Q11 E31 | L7-K9 PolarHBondContact O-N 2.74Å; K9-Q11 HydrophobicContact CB-CG 4.48Å; K9-Q11 PolarHBondContact O-N 3.26Å; K9-E31 HydrophobicContact CB-CB 4.48Å; K9-E31 HydrophobicContact CB-CG 3.72Å; K9-E31 VanDerWaalsContact CD-OE2 3.27Å; K9-E31 WeakPolarHBondContact CD-OE2 3.4Å; K9-E31 VanDerWaalsContact CE-OE2 3.27Å; K9-E31 WeakPolarHBondContact CE-OE2 3.08Å; K9-E31 HydrophobicContact CG-CB 4.3Å; K9-E31 HydrophobicContact CG-CG 3.96Å; K9-E31 VanDerWaalsContact CG-OE2 3.31Å; K9-E31 WeakPolarHBondContact CG-OE2 3.27Å; K9-E31 IonicContact NZ-OE2 2.55Å; K9-E31 PolarHBondContact NZ-OE2 3.22Å |
| 10 | D | 96 | Very high | 87.1 | Confident | 142 Ų | 142 | 77.1 Ų | 77.1 | 76% | 0.759 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | 56.8 | 16.7 | -179.8 | -56.9 | -54.8 | 0 | 0 | 0 | 114.5 | L7 F8 K12 | L7-D10 PolarHBondContact O-N 3.33Å; F8-D10 PolarHBondContact O-N 3.23Å; D10-K12 PolarHBondContact O-N 3.09Å |
| 11 | Q | 97.3 | Very high | 87.6 | Confident | 17 Ų | 17 | 76.5 Ų | 76.5 | 8% | 0.079 | 41% | 0.411 | C | S | . | . | trans | -75.5 | 124 | 178 | -71.3 | -179.4 | -43.8 | 0 | 0 | 110.5 | F8 K9 L16 D29 V135 | F8-Q11 PolarHBondContact O-N 3.38Å; K9-Q11 HydrophobicContact CB-CG 4.48Å; K9-Q11 PolarHBondContact O-N 3.26Å; Q11-L16 HydrophobicContact CB-CD1 3.86Å; Q11-L16 HydrophobicContact CG-CD1 4.16Å; Q11-D29 PolarHBondContact NE2-OD1 2.81Å; Q11-V135 HydrophobicContact CB-CB 4.28Å; Q11-V135 HydrophobicContact CB-CG2 4.11Å | ||
| 12 | K | 96.8 | Very high | 90.8 | Very high | 92 Ų | 92 | 72.5 Ų | 72.5 | 40% | 0.4 | 39% | 0.389 | S | S | . | . | trans | -105 | 111.2 | 177.1 | -67.7 | 171.3 | -179.6 | 174.2 | 0 | 110.3 | L7 D10 Q14 E15 L16 | L7-K12 HydrophobicContact CD1-CD 4.43Å; L7-K12 HydrophobicContact CD1-CG 3.43Å; L7-K12 VanDerWaalsContact CD1-CG 3.43Å; D10-K12 PolarHBondContact O-N 3.09Å; K12-Q14 PolarHBondContact O-N 3.49Å; K12-E15 HydrophobicContact CB-CB 4.13Å; K12-E15 HydrophobicContact CB-CG 4.24Å; K12-E15 HydrophobicContact CD-CG 4.15Å; K12-E15 WeakPolarHBondContact CD-OE1 3.15Å; K12-E15 VanDerWaalsContact CD-OE2 3.25Å; K12-E15 WeakPolarHBondContact CD-OE2 3.48Å; K12-E15 IonicContact NZ-OE1 3.56Å; K12-E15 PolarHBondContact NZ-OE1 3.3Å; K12-E15 IonicContact NZ-OE2 2.69Å; K12-E15 PolarHBondContact NZ-OE2 3.29Å; K12-E15 PolarHBondContact O-N 2.99Å; K12-L16 WeakPolarHBondContact O-CG 3.35Å; K12-L16 PolarHBondContact O-N 2.82Å | ||
| 13 | Y | 96.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 71.8 Ų | 71.8 | 1% | 0.012 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -51.6 | -51.3 | -175.7 | 170.2 | -113.9 | 0 | 0 | 0 | 113.5 | E15 L16 K17 I120 H122 | Y13-E15 PolarHBondContact O-N 2.8Å; Y13-L16 PolarHBondContact O-N 2.86Å; Y13-K17 HydrophobicContact CE1-CD 4.31Å; Y13-K17 HydrophobicContact CE2-CD 4.11Å; Y13-K17 VanDerWaalsContact O-CB 3.26Å; Y13-K17 WeakPolarHBondContact O-CB 3.2Å; Y13-K17 PolarHBondContact O-N 2.88Å; Y13-K17 WeakPolarHBondContact OH-CD 3.13Å; Y13-K17 PolarHBondContact OH-NZ 2.89Å; Y13-I120 HydrophobicContact CD2-CD1 4.15Å; Y13-I120 HydrophobicContact CD2-CG1 4.01Å; Y13-I120 HydrophobicContact CE2-CG1 4.1Å; Y13-I120 HydrophobicContact CE2-CG2 4.11Å; Y13-H122 AromaticContact CD1-CD2 3.51Å; Y13-H122 AromaticContact CD1-CE1 3.79Å; Y13-H122 AromaticContact CD1-CG 3.83Å; Y13-H122 AromaticContact CD1-ND1 3.98Å; Y13-H122 AromaticContact CD1-NE2 3.51Å; Y13-H122 HydrophobicContact CD2-CB 3.89Å; Y13-H122 AromaticContact CD2-CD2 3.88Å; Y13-H122 AromaticContact CD2-CG 3.96Å; Y13-H122 AromaticContact CE1-CD2 3.54Å; Y13-H122 AromaticContact CE1-NE2 3.51Å; Y13-H122 AromaticContact CE2-CD2 3.92Å; Y13-H122 HydrophobicContact CG-CB 3.92Å; Y13-H122 AromaticContact CG-CD2 3.68Å; Y13-H122 AromaticContact CG-CG 3.63Å; Y13-H122 AromaticContact CZ-CD2 3.75Å |
| 14 | Q | 95.6 | Very high | 95.6 | Very high | 107 Ų | 107 | 79.7 Ų | 79.7 | 50% | 0.5 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.1 | -38.5 | -174.9 | -65.6 | -66.5 | -15 | 0 | 0 | 113 | K12 G18 | K12-Q14 PolarHBondContact O-N 3.49Å; Q14-G18 PolarHBondContact O-N 3.03Å |
| 15 | E | 97.1 | Very high | 96.4 | Very high | 104 Ų | 104 | 80.6 Ų | 80.6 | 49% | 0.486 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68 | -46 | 177.2 | -67.9 | -179.8 | -163.1 | 0 | 0 | 110.8 | K12 Y13 G18 Q19 | K12-E15 HydrophobicContact CB-CB 4.13Å; K12-E15 HydrophobicContact CB-CG 4.24Å; K12-E15 HydrophobicContact CD-CG 4.15Å; K12-E15 WeakPolarHBondContact CD-OE1 3.15Å; K12-E15 VanDerWaalsContact CD-OE2 3.25Å; K12-E15 WeakPolarHBondContact CD-OE2 3.48Å; K12-E15 IonicContact NZ-OE1 3.56Å; K12-E15 PolarHBondContact NZ-OE1 3.3Å; K12-E15 IonicContact NZ-OE2 2.69Å; K12-E15 PolarHBondContact NZ-OE2 3.29Å; K12-E15 PolarHBondContact O-N 2.99Å; Y13-E15 PolarHBondContact O-N 2.8Å; E15-G18 PolarHBondContact O-N 2.78Å; E15-Q19 VanDerWaalsContact O-CG 3.29Å; E15-Q19 WeakPolarHBondContact O-CG 3.49Å; E15-Q19 PolarHBondContact O-N 3.33Å |
| 16 | L | 97.9 | Very high | 96.8 | Very high | 36 Ų | 36 | 81.3 Ų | 81.3 | 19% | 0.188 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 178.1 | -68.7 | 171.6 | 0 | 0 | 0 | 111.8 | Q11 K12 Y13 Q19 C20 F27 I120 V135 | Q11-L16 HydrophobicContact CB-CD1 3.86Å; Q11-L16 HydrophobicContact CG-CD1 4.16Å; K12-L16 WeakPolarHBondContact O-CG 3.35Å; K12-L16 PolarHBondContact O-N 2.82Å; Y13-L16 PolarHBondContact O-N 2.86Å; L16-Q19 PolarHBondContact O-N 3.09Å; L16-C20 PolarHBondContact O-N 3.08Å; L16-C20 PolarHBondContact O-SG 3.03Å; L16-C20 VanDerWaalsContact O-SG 3.39Å; L16-F27 HydrophobicContact CB-CE2 4.42Å; L16-F27 HydrophobicContact CD1-CE2 4.1Å; L16-F27 HydrophobicContact CD1-CZ 4.09Å; L16-F27 HydrophobicContact CD2-CE2 4.21Å; L16-F27 HydrophobicContact CG-CE2 4.48Å; L16-I120 HydrophobicContact CB-CD1 3.62Å; L16-V135 HydrophobicContact CD1-CG1 4.28Å |
| 17 | K | 97.2 | Very high | 96.9 | Very high | 26 Ų | 26 | 77.6 Ų | 77.6 | 11% | 0.113 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 175.7 | -177 | 171.3 | -176.3 | 171.2 | 0 | 111.3 | Y13 Q19 C20 I21 E106 K116 A118 I120 | Y13-K17 HydrophobicContact CE1-CD 4.31Å; Y13-K17 HydrophobicContact CE2-CD 4.11Å; Y13-K17 VanDerWaalsContact O-CB 3.26Å; Y13-K17 WeakPolarHBondContact O-CB 3.2Å; Y13-K17 PolarHBondContact O-N 2.88Å; Y13-K17 WeakPolarHBondContact OH-CD 3.13Å; Y13-K17 PolarHBondContact OH-NZ 2.89Å; K17-Q19 PolarHBondContact O-N 3.39Å; K17-C20 PolarHBondContact O-N 3.01Å; K17-I21 HydrophobicContact CG-CD1 3.9Å; K17-I21 VanDerWaalsContact O-CG1 3.3Å; K17-I21 WeakPolarHBondContact O-CG1 3.33Å; K17-I21 PolarHBondContact O-N 2.71Å; K17-E106 PolarHBondContact NZ-O 3.18Å; K17-K116 WeakPolarHBondContact CE-O 3.12Å; K17-A118 HydrophobicContact CG-CB 4.39Å; K17-I120 HydrophobicContact CB-CD1 4.48Å; K17-I120 HydrophobicContact CB-CG2 3.83Å; K17-I120 HydrophobicContact CD-CG2 4.2Å; K17-I120 HydrophobicContact CG-CG2 3.85Å |
| 18 | G | 97.3 | Very high | 97 | Very high | 37 Ų | 37 | 81.2 Ų | 81.2 | 38% | 0.381 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.5 | -46.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q14 E15 C20 I21 E22 | Q14-G18 PolarHBondContact O-N 3.03Å; E15-G18 PolarHBondContact O-N 2.78Å; G18-C20 PolarHBondContact O-N 2.85Å; G18-I21 PolarHBondContact O-N 2.97Å; G18-E22 WeakPolarHBondContact O-CB 3.3Å; G18-E22 PolarHBondContact O-N 3.15Å |
| 19 | Q | 97.6 | Very high | 97.1 | Very high | 83 Ų | 83 | 79.3 Ų | 79.3 | 39% | 0.388 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 177.2 | -72.5 | 172.8 | 8.4 | 0 | 0 | 112.5 | E15 L16 K17 E22 Q23 | E15-Q19 VanDerWaalsContact O-CG 3.29Å; E15-Q19 WeakPolarHBondContact O-CG 3.49Å; E15-Q19 PolarHBondContact O-N 3.33Å; L16-Q19 PolarHBondContact O-N 3.09Å; K17-Q19 PolarHBondContact O-N 3.39Å; Q19-E22 PolarHBondContact O-N 3.3Å; Q19-Q23 VanDerWaalsContact O-CB 3.3Å; Q19-Q23 WeakPolarHBondContact O-CB 3.49Å; Q19-Q23 VanDerWaalsContact O-CG 3.28Å; Q19-Q23 WeakPolarHBondContact O-CG 3.4Å; Q19-Q23 PolarHBondContact O-N 2.53Å |
| 20 | C | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.007 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 178 | -73.8 | 0 | 0 | 0 | 0 | 112.1 | L16 K17 G18 Q23 R24 R25 A118 | L16-C20 PolarHBondContact O-N 3.08Å; L16-C20 PolarHBondContact O-SG 3.03Å; L16-C20 VanDerWaalsContact O-SG 3.39Å; K17-C20 PolarHBondContact O-N 3.01Å; G18-C20 PolarHBondContact O-N 2.85Å; C20-Q23 PolarHBondContact O-N 2.9Å; C20-R24 PolarHBondContact O-N 2.96Å; C20-R25 HydrophobicContact CB-CG 4.49Å; C20-R25 WeakPolarHBondContact CB-O 3.19Å; C20-R25 PolarHBondContact O-N 3.05Å; C20-A118 HydrophobicContact CB-CB 3.75Å |
| 21 | I | 96.8 | Very high | 97.2 | Very high | 65 Ų | 65 | 75.3 Ų | 75.3 | 33% | 0.333 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63 | -48.2 | 175.7 | -68.1 | 169.7 | 0 | 0 | 0 | 110.7 | K17 G18 Q23 R24 A118 | K17-I21 HydrophobicContact CG-CD1 3.9Å; K17-I21 VanDerWaalsContact O-CG1 3.3Å; K17-I21 WeakPolarHBondContact O-CG1 3.33Å; K17-I21 PolarHBondContact O-N 2.71Å; G18-I21 PolarHBondContact O-N 2.97Å; I21-Q23 VanDerWaalsContact C-N 3.32Å; I21-Q23 PolarHBondContact O-N 2.8Å; I21-R24 PolarHBondContact O-N 3.15Å; I21-R24 VanDerWaalsContact O-N 3.16Å; I21-A118 HydrophobicContact CG1-CB 4.01Å |
| 22 | E | 97.2 | Very high | 97.3 | Very high | 159 Ų | 159 | 74.8 Ų | 74.8 | 74% | 0.743 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60 | -43.1 | 179.5 | -175.9 | 178.6 | -169.5 | 0 | 0 | 111.8 | G18 Q19 R24 | G18-E22 WeakPolarHBondContact O-CB 3.3Å; G18-E22 PolarHBondContact O-N 3.15Å; Q19-E22 PolarHBondContact O-N 3.3Å; E22-R24 VanDerWaalsContact C-N 3.28Å; E22-R24 PolarHBondContact O-N 3.31Å |
| 23 | Q | 96.8 | Very high | 97.3 | Very high | 112 Ų | 112 | 73 Ų | 73 | 52% | 0.523 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -1.8 | -179.6 | -65.4 | 173.1 | -2.6 | 0 | 0 | 113.5 | Q19 C20 I21 R25 | Q19-Q23 VanDerWaalsContact O-CB 3.3Å; Q19-Q23 WeakPolarHBondContact O-CB 3.49Å; Q19-Q23 VanDerWaalsContact O-CG 3.28Å; Q19-Q23 WeakPolarHBondContact O-CG 3.4Å; Q19-Q23 PolarHBondContact O-N 2.53Å; C20-Q23 PolarHBondContact O-N 2.9Å; I21-Q23 VanDerWaalsContact C-N 3.32Å; I21-Q23 PolarHBondContact O-N 2.8Å; Q23-R25 HydrophobicContact CB-CG 4.09Å; Q23-R25 PolarHBondContact O-N 2.97Å |
| 24 | R | 95.3 | Very high | 97.3 | Very high | 236 Ų | 236 | 75 Ų | 75 | 89% | 0.891 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 41.1 | -176.6 | -57.7 | -177.7 | 179 | -178.6 | -0.7 | 113.4 | C20 I21 E22 | C20-R24 PolarHBondContact O-N 2.96Å; I21-R24 PolarHBondContact O-N 3.15Å; I21-R24 VanDerWaalsContact O-N 3.16Å; E22-R24 VanDerWaalsContact C-N 3.28Å; E22-R24 PolarHBondContact O-N 3.31Å |
| 25 | R | 96.5 | Very high | 97.3 | Very high | 117 Ų | 117 | 71.6 Ų | 71.6 | 44% | 0.442 | 36% | 0.358 | S | S | . | . | trans | -121.3 | 157.2 | 176.5 | 68.7 | 178.1 | 178.6 | 121.2 | -0.8 | 111 | C20 Q23 | C20-R25 HydrophobicContact CB-CG 4.49Å; C20-R25 WeakPolarHBondContact CB-O 3.19Å; C20-R25 PolarHBondContact O-N 3.05Å; Q23-R25 HydrophobicContact CB-CG 4.09Å; Q23-R25 PolarHBondContact O-N 2.97Å | ||
| 26 | L | 97.9 | Very high | 97.2 | Very high | 67 Ų | 67 | 71.4 Ų | 71.4 | 35% | 0.351 | 36% | 0.36 | S | S | . | . | trans | -83.6 | 145.5 | 169.5 | -58.7 | 179.5 | 0 | 0 | 0 | 109.4 | Y117 | L26-Y117 HydrophobicContact CD1-CE1 4.4Å; L26-Y117 HydrophobicContact CD2-CD1 3.91Å; L26-Y117 HydrophobicContact CD2-CE1 3.47Å; L26-Y117 VanDerWaalsContact CD2-CE1 3.47Å | ||
| 27 | F | 98.4 | Very high | 97.1 | Very high | 9 Ų | 9 | 76.3 Ų | 76.3 | 4% | 0.039 | 38% | 0.382 | C | S | . | . | trans | -66.4 | 134.5 | 175.2 | -175.7 | -119.2 | 0 | 0 | 0 | 109.7 | L16 D29 R53 A118 I120 V135 D137 | L16-F27 HydrophobicContact CB-CE2 4.42Å; L16-F27 HydrophobicContact CD1-CE2 4.1Å; L16-F27 HydrophobicContact CD1-CZ 4.09Å; L16-F27 HydrophobicContact CD2-CE2 4.21Å; L16-F27 HydrophobicContact CG-CE2 4.48Å; F27-D29 HydrophobicContact CE1-CB 3.77Å; F27-D29 HydrophobicContact CZ-CB 4.17Å; F27-R53 PolarHBondContact O-NH1 3.07Å; F27-R53 PolarHBondContact O-NH2 3.04Å; F27-A118 WeakPolarHBondContact CB-O 3.32Å; F27-A118 PolarHBondContact N-O 2.82Å; F27-I120 HydrophobicContact CB-CB 3.72Å; F27-I120 HydrophobicContact CB-CD1 4.29Å; F27-I120 HydrophobicContact CB-CG1 4.25Å; F27-I120 HydrophobicContact CD1-CB 3.89Å; F27-I120 HydrophobicContact CD1-CD1 3.77Å; F27-I120 HydrophobicContact CD1-CG1 3.56Å; F27-I120 HydrophobicContact CD2-CD1 4.12Å; F27-I120 HydrophobicContact CE1-CD1 4.1Å; F27-I120 HydrophobicContact CE1-CG1 4.09Å; F27-I120 HydrophobicContact CE2-CD1 4.42Å; F27-I120 HydrophobicContact CG-CB 4Å; F27-I120 HydrophobicContact CG-CD1 3.8Å; F27-I120 HydrophobicContact CG-CG1 3.95Å; F27-I120 HydrophobicContact CZ-CD1 4.42Å; F27-V135 HydrophobicContact CE1-CG1 3.89Å; F27-V135 HydrophobicContact CZ-CG1 4.27Å; F27-D137 HydrophobicContact CB-CB 4.49Å; F27-D137 HydrophobicContact CD1-CB 3.68Å; F27-D137 HydrophobicContact CE1-CB 4.36Å; F27-D137 HydrophobicContact CG-CB 4.44Å; F27-D137 WeakPolarHBondContact O-CB 3.42Å | ||
| 28 | E | 98.1 | Very high | 97 | Very high | 135 Ų | 135 | 75.2 Ų | 75.2 | 63% | 0.631 | 38% | 0.378 | S | S | * | . | trans | -123.5 | 123 | 168.3 | -70 | 178.4 | -169.5 | 0 | 0 | 105.6 | P30 | E28-P30 WeakPolarHBondContact O-CD 3.31Š| ||
| 29 | D | 98.2 | Very high | 97 | Very high | 4 Ų | 4 | 73.5 Ų | 73.5 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | trans | -81.7 | 109.1 | -168.4 | -171.8 | -1.1 | 0 | 0 | 0 | 111.2 | Q11 F27 E31 F32 D137 K169 | Q11-D29 PolarHBondContact NE2-OD1 2.81Å; F27-D29 HydrophobicContact CE1-CB 3.77Å; F27-D29 HydrophobicContact CZ-CB 4.17Å; D29-E31 PolarHBondContact O-N 3.32Å; D29-E31 PolarHBondContact OD1-N 3.47Å; D29-E31 VanDerWaalsContact OD1-N 3.17Å; D29-F32 CarbonylContact O-C 3.58Å; D29-F32 PolarHBondContact O-N 3.01Å; D29-D137 HydrophobicContact CB-CB 4.39Å; D29-D137 VanDerWaalsContact CB-OD2 3.29Å; D29-D137 WeakPolarHBondContact CB-OD2 3.48Å; D29-D137 PolarHBondContact N-OD2 3.29Å; D29-K169 IonicContact OD1-NZ 2.66Å; D29-K169 PolarHBondContact OD1-NZ 3.28Å; D29-K169 WeakPolarHBondContact OD2-CE 3.41Å; D29-K169 IonicContact OD2-NZ 3.77Å; D29-K169 PolarHBondContact OD2-NZ 2.82Å | ||
| 30 | P | 97.3 | Very high | 96.8 | Very high | 95 Ų | 95 | 71.5 Ų | 71.5 | 62% | 0.617 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -21.4 | -178 | 30.1 | -36.1 | 0 | 0 | 0 | 112.7 | E28 | E28-P30 WeakPolarHBondContact O-CD 3.31Š|
| 31 | E | 97.6 | Very high | 96.5 | Very high | 77 Ų | 77 | 74.5 Ų | 74.5 | 36% | 0.36 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -7.6 | -178.7 | -65.8 | -66.1 | 140.7 | 0 | 0 | 112.7 | K9 D29 | K9-E31 HydrophobicContact CB-CB 4.48Å; K9-E31 HydrophobicContact CB-CG 3.72Å; K9-E31 VanDerWaalsContact CD-OE2 3.27Å; K9-E31 WeakPolarHBondContact CD-OE2 3.4Å; K9-E31 VanDerWaalsContact CE-OE2 3.27Å; K9-E31 WeakPolarHBondContact CE-OE2 3.08Å; K9-E31 HydrophobicContact CG-CB 4.3Å; K9-E31 HydrophobicContact CG-CG 3.96Å; K9-E31 VanDerWaalsContact CG-OE2 3.31Å; K9-E31 WeakPolarHBondContact CG-OE2 3.27Å; K9-E31 IonicContact NZ-OE2 2.55Å; K9-E31 PolarHBondContact NZ-OE2 3.22Å; D29-E31 PolarHBondContact O-N 3.32Å; D29-E31 PolarHBondContact OD1-N 3.47Å; D29-E31 VanDerWaalsContact OD1-N 3.17Å |
| 32 | F | 98 | Very high | 96.2 | Very high | 5 Ų | 5 | 76.7 Ų | 76.7 | 2% | 0.022 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -151.4 | 69.5 | 176.7 | -159.6 | -109.2 | 0 | 0 | 0 | 110.7 | D29 S38 W51 K165 A168 K169 Y174 | D29-F32 CarbonylContact O-C 3.58Å; D29-F32 PolarHBondContact O-N 3.01Å; F32-S38 WeakPolarHBondContact CD2-OG 3.38Å; F32-S38 WeakPolarHBondContact CE2-OG 3.27Å; F32-S38 WeakPolarHBondContact CZ-O 3.25Å; F32-W51 HydrophobicContact CE1-CH2 4.46Å; F32-K165 HydrophobicContact CD1-CG 4.32Å; F32-K165 HydrophobicContact CE1-CG 4.13Å; F32-A168 HydrophobicContact CZ-CB 4.05Å; F32-K169 HydrophobicContact CB-CB 4.16Å; F32-K169 HydrophobicContact CB-CD 3.66Å; F32-K169 HydrophobicContact CB-CG 3.8Å; F32-K169 HydrophobicContact CD1-CB 4.15Å; F32-K169 HydrophobicContact CD2-CB 3.76Å; F32-K169 HydrophobicContact CD2-CG 3.95Å; F32-K169 HydrophobicContact CE1-CB 4.48Å; F32-K169 HydrophobicContact CE2-CB 4.14Å; F32-K169 HydrophobicContact CG-CB 3.75Å; F32-K169 HydrophobicContact CG-CD 4.21Å; F32-K169 HydrophobicContact CG-CG 3.92Å; F32-K169 HydrophobicContact CZ-CB 4.48Å; F32-Y174 HydrophobicContact CE1-CD2 4.34Å; F32-Y174 HydrophobicContact CE1-CE2 4.01Å; F32-Y174 HydrophobicContact CZ-CD2 4.18Å; F32-Y174 HydrophobicContact CZ-CE2 4.3Å |
| 33 | P | 97.6 | Very high | 95.5 | Very high | 54 Ų | 54 | 79 Ų | 79 | 35% | 0.351 | 38% | 0.38 | S | S | . | . | trans | -66.8 | 149.3 | -169.8 | 27.3 | -35.1 | 0 | 0 | 0 | 112.4 | S35 S38 | P33-S35 PolarHBondContact O-N 2.88Å; P33-S35 PolarHBondContact O-OG 3Å; P33-S38 VanDerWaalsContact O-CB 3.28Å; P33-S38 WeakPolarHBondContact O-CB 3.46Å; P33-S38 PolarHBondContact O-OG 3.31Å | ||
| 34 | A | 97.5 | Very high | 95 | Very high | 45 Ų | 45 | 76.4 Ų | 76.4 | 37% | 0.372 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -67.8 | 70.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | W51 L139 | A34-W51 HydrophobicContact CB-CB 3.88Å; A34-W51 HydrophobicContact CB-CD2 3.58Å; A34-W51 HydrophobicContact CB-CE3 3.97Å; A34-W51 HydrophobicContact CB-CG 3.55Å; A34-L139 HydrophobicContact CB-CD1 3.96Å |
| 35 | S | 95.9 | Very high | 94.6 | Very high | 37 Ų | 37 | 66.5 Ų | 66.5 | 26% | 0.259 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -145.9 | 170 | -171.2 | 72 | 0 | 0 | 0 | 0 | 111.5 | P33 E37 S38 | P33-S35 PolarHBondContact O-N 2.88Å; P33-S35 PolarHBondContact O-OG 3Å; S35-E37 PolarHBondContact O-N 3.37Å; S35-S38 PolarHBondContact O-N 2.67Å |
| 36 | D | 94.9 | Very high | 93.9 | Very high | 99 Ų | 99 | 66.3 Ų | 66.3 | 53% | 0.529 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.9 | -31.3 | 178.5 | -71.4 | -10.6 | 0 | 0 | 0 | 112.6 | S38 L39 F40 | D36-S38 PolarHBondContact O-N 2.75Å; D36-L39 PolarHBondContact O-N 3.21Å; D36-F40 HydrophobicContact CB-CE1 3.71Å; D36-F40 HydrophobicContact CB-CZ 3.71Å; D36-F40 PolarHBondContact O-N 2.97Å; D36-F40 VanDerWaalsContact O-O 3.1Å |
| 37 | E | 94.3 | Very high | 93.4 | Very high | 139 Ų | 139 | 70.9 Ų | 70.9 | 65% | 0.65 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.4 | -30 | -179.9 | -60.3 | -170.1 | 166 | 0 | 0 | 113.2 | S35 L39 | S35-E37 PolarHBondContact O-N 3.37Å; E37-L39 VanDerWaalsContact C-N 3.34Å |
| 38 | S | 96.9 | Very high | 93 | Very high | 4 Ų | 4 | 80.8 Ų | 80.8 | 3% | 0.028 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -79.7 | -18.2 | 174.7 | -77.9 | 0 | 0 | 0 | 0 | 112.7 | F32 P33 S35 D36 S173 Y174 | F32-S38 WeakPolarHBondContact CD2-OG 3.38Å; F32-S38 WeakPolarHBondContact CE2-OG 3.27Å; F32-S38 WeakPolarHBondContact CZ-O 3.25Å; P33-S38 VanDerWaalsContact O-CB 3.28Å; P33-S38 WeakPolarHBondContact O-CB 3.46Å; P33-S38 PolarHBondContact O-OG 3.31Å; S35-S38 PolarHBondContact O-N 2.67Å; D36-S38 PolarHBondContact O-N 2.75Å; S38-S173 CarbonylContact O-C 3.52Å; S38-S173 VanDerWaalsContact O-CA 3.27Å; S38-S173 WeakPolarHBondContact O-CA 3.45Å; S38-S173 WeakPolarHBondContact O-CB 3.44Å; S38-Y174 WeakPolarHBondContact O-CD2 3.41Å; S38-Y174 PolarHBondContact O-N 3.34Å |
| 39 | L | 95.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 75.3 Ų | 75.3 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -92.5 | -52.7 | -178.3 | -63 | 174.5 | 0 | 0 | 0 | 111.5 | D36 E37 V49 W51 P141 Y149 Y174 E175 | D36-L39 PolarHBondContact O-N 3.21Å; E37-L39 VanDerWaalsContact C-N 3.34Å; L39-V49 HydrophobicContact CD1-CB 3.84Å; L39-V49 HydrophobicContact CD1-CG1 3.78Å; L39-V49 HydrophobicContact CD1-CG2 4.03Å; L39-W51 HydrophobicContact CD1-CZ2 4.33Å; L39-W51 HydrophobicContact CD2-CH2 4.16Å; L39-W51 HydrophobicContact CD2-CZ2 3.62Å; L39-W51 HydrophobicContact CG-CZ2 3.79Å; L39-P141 HydrophobicContact CD2-CB 3.87Å; L39-P141 HydrophobicContact CD2-CG 3.61Å; L39-Y149 HydrophobicContact CD2-CE2 3.85Å; L39-Y174 HydrophobicContact CD2-CD2 4.04Å; L39-E175 WeakPolarHBondContact O-CB 3.31Å; L39-E175 PolarHBondContact O-N 2.82Å |
| 40 | F | 94 | Very high | 92.9 | Very high | 41 Ų | 41 | 79.2 Ų | 79.2 | 18% | 0.18 | 40% | 0.402 | C | S | . | . | trans | -152.2 | 160.2 | -170.5 | 64.2 | -87.4 | 0 | 0 | 0 | 112.7 | D36 R43 A44 P45 E175 | D36-F40 HydrophobicContact CB-CE1 3.71Å; D36-F40 HydrophobicContact CB-CZ 3.71Å; D36-F40 PolarHBondContact O-N 2.97Å; D36-F40 VanDerWaalsContact O-O 3.1Å; F40-R43 VanDerWaalsContact CB-O 3.3Å; F40-R43 WeakPolarHBondContact CB-O 3.46Å; F40-R43 WeakPolarHBondContact CG-O 3.42Å; F40-A44 HydrophobicContact CD2-CB 4.25Å; F40-A44 HydrophobicContact CE1-CB 4.18Å; F40-A44 HydrophobicContact CE2-CB 3.71Å; F40-A44 HydrophobicContact CZ-CB 3.67Å; F40-P45 HydrophobicContact CD1-CG 4.22Å; F40-P45 VanDerWaalsContact CE1-CD 3.43Å; F40-P45 HydrophobicContact CE1-CG 4.43Å; F40-E175 VanDerWaalsContact CA-OE2 3.22Å; F40-E175 WeakPolarHBondContact CA-OE2 3.22Å; F40-E175 HydrophobicContact CB-CB 4.24Å; F40-E175 VanDerWaalsContact CB-OE2 3.27Å; F40-E175 WeakPolarHBondContact CB-OE2 3.29Å | ||
| 41 | Y | 92 | Very high | 92.9 | Very high | 63 Ų | 63 | 76.6 Ų | 76.6 | 25% | 0.247 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -132.6 | -13.2 | 172 | 54 | -90.5 | 0 | 0 | 0 | 112.5 | S173 E175 A176 K414 K415 | Y41-S173 WeakPolarHBondContact CD1-OG 3.33Å; Y41-S173 WeakPolarHBondContact CE1-OG 3.42Å; Y41-E175 HydrophobicContact CD1-CB 4.28Å; Y41-E175 HydrophobicContact CE1-CB 3.84Å; Y41-E175 HydrophobicContact CE1-CG 3.94Å; Y41-E175 PolarHBondContact N-OE2 3.4Å; Y41-A176 HydrophobicContact CE1-CB 4.39Å; Y41-K414 HydrophobicContact CE2-CB 4.44Å; Y41-K414 WeakPolarHBondContact OH-CB 3.39Å; Y41-K415 HydrophobicContact CD1-CB 4.23Å; Y41-K415 HydrophobicContact CD2-CB 4Å; Y41-K415 HydrophobicContact CD2-CG 4.28Å; Y41-K415 HydrophobicContact CG-CB 3.86Å; Y41-K415 HydrophobicContact CG-CD 4.47Å; Y41-K415 HydrophobicContact CG-CG 4.01Å |
| 42 | T | 89.7 | Confident | 92.9 | Very high | 111 Ų | 111 | 75.2 Ų | 75.2 | 68% | 0.681 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -121 | -54.2 | 172.7 | 39.9 | 0 | 0 | 0 | 0 | 113.6 | E175 | T42-E175 PolarHBondContact N-OE2 2.91Å; T42-E175 PolarHBondContact OG1-OE1 3.16Å; T42-E175 PolarHBondContact OG1-OE2 3.38Å |
| 43 | R | 82.9 | Confident | 92.9 | Very high | 208 Ų | 208 | 75.8 Ų | 75.8 | 79% | 0.785 | 37% | 0.374 | S | S | * | . | trans | -113.9 | 111.1 | -172.4 | -172.2 | 177.8 | -179.6 | -179.3 | 0 | 112.1 | F40 E175 | F40-R43 VanDerWaalsContact CB-O 3.3Å; F40-R43 WeakPolarHBondContact CB-O 3.46Å; F40-R43 WeakPolarHBondContact CG-O 3.42Å; R43-E175 WeakPolarHBondContact CB-OE1 3.36Å; R43-E175 PolarHBondContact N-OE1 3.28Å | ||
| 44 | A | 87.2 | Confident | 92.9 | Very high | 58 Ų | 58 | 73.2 Ų | 73.2 | 48% | 0.479 | 36% | 0.358 | S | S | . | . | trans | -64.2 | 143.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F40 | F40-A44 HydrophobicContact CD2-CB 4.25Å; F40-A44 HydrophobicContact CE1-CB 4.18Å; F40-A44 HydrophobicContact CE2-CB 3.71Å; F40-A44 HydrophobicContact CZ-CB 3.67Å | ||
| 45 | P | 85.5 | Confident | 92.8 | Very high | 27 Ų | 27 | 76 Ų | 76 | 18% | 0.175 | 36% | 0.361 | C | S | . | . | trans | -55.7 | 154.1 | 169.8 | -26.7 | 35 | 0 | 0 | 0 | 112.3 | F40 R47 V49 | F40-P45 HydrophobicContact CD1-CG 4.22Å; F40-P45 VanDerWaalsContact CE1-CD 3.43Å; F40-P45 HydrophobicContact CE1-CG 4.43Å; P45-R47 PolarHBondContact O-N 2.77Å; P45-R47 VanDerWaalsContact O-N 3.17Å; P45-V49 HydrophobicContact CB-CG2 3.84Å; P45-V49 HydrophobicContact CG-CG2 3.75Å | ||
| 46 | P | 81.9 | Confident | 92.9 | Very high | 114 Ų | 114 | 79.9 Ų | 79.9 | 74% | 0.74 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -67.7 | -17.6 | -174 | 27.8 | -35.9 | 0 | 0 | 0 | 114.1 | M143 | P46-M143 HydrophobicContact CG-CE 4.4Å; P46-M143 HydrophobicContact CG-SD 4.36Å |
| 47 | R | 87.8 | Confident | 92.9 | Very high | 163 Ų | 163 | 77.6 Ų | 77.6 | 62% | 0.615 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -138.4 | 166.6 | 176.3 | -58.1 | -178.6 | 177.5 | -178.9 | -2.3 | 109.6 | P45 V49 M143 D144 | P45-R47 PolarHBondContact O-N 2.77Å; P45-R47 VanDerWaalsContact O-N 3.17Å; R47-V49 PolarHBondContact O-N 3.27Å; R47-M143 HydrophobicContact CB-CG 4.4Å; R47-M143 HydrophobicContact CB-SD 3.72Å; R47-M143 HydrophobicContact CG-SD 4.44Å; R47-D144 IonicContact CZ-OD2 3.67Å; R47-D144 IonicContact NH1-OD2 3.84Å; R47-D144 PolarHBondContact NH1-OD2 2.87Å |
| 48 | R | 90.8 | Very high | 92.9 | Very high | 216 Ų | 216 | 72.3 Ų | 72.3 | 82% | 0.815 | 34% | 0.341 | S | S | * | . | trans | -59.6 | 128.3 | 175.4 | -173.8 | 179.7 | -177 | -165.8 | 0.3 | 110 | ||||
| 49 | V | 96 | Very high | 92.7 | Very high | 21 Ų | 21 | 81.7 Ų | 81.7 | 13% | 0.127 | 38% | 0.384 | C | S | . | . | trans | -88.9 | 134 | 175.2 | 176.9 | 0 | 0 | 0 | 0 | 109.7 | L39 P45 R47 P141 T142 M143 I148 | L39-V49 HydrophobicContact CD1-CB 3.84Å; L39-V49 HydrophobicContact CD1-CG1 3.78Å; L39-V49 HydrophobicContact CD1-CG2 4.03Å; P45-V49 HydrophobicContact CB-CG2 3.84Å; P45-V49 HydrophobicContact CG-CG2 3.75Å; R47-V49 PolarHBondContact O-N 3.27Å; V49-P141 HydrophobicContact CG1-CB 3.81Å; V49-T142 WeakPolarHBondContact CA-O 3.45Å; V49-M143 HydrophobicContact CG2-CG 4.28Å; V49-I148 HydrophobicContact CG1-CD1 4.29Å; V49-I148 HydrophobicContact CG2-CD1 3.81Å | ||
| 50 | E | 96.9 | Very high | 92.6 | Very high | 85 Ų | 85 | 85.7 Ų | 85.7 | 40% | 0.397 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.8 | 171.2 | -65 | 179.4 | 173.2 | 0 | 0 | 108.7 | K52 T142 | E50-K52 WeakPolarHBondContact OE2-CE 3.24Å; E50-K52 IonicContact OE2-NZ 3.19Å; E50-K52 PolarHBondContact OE2-NZ 3.42Å; E50-T142 PolarHBondContact N-O 3.43Å; E50-T142 WeakPolarHBondContact O-CA 3.46Å; E50-T142 WeakPolarHBondContact O-CB 3.5Å; E50-T142 PolarHBondContact O-N 3.04Å; E50-T142 PolarHBondContact O-OG1 3.46Å |
| 51 | W | 98.1 | Very high | 92.7 | Very high | 40 Ų | 40 | 84 Ų | 84 | 15% | 0.152 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 120.1 | 174.8 | -70 | 83.8 | 0 | 0 | 0 | 109.2 | F32 A34 L39 L139 L140 P141 Y174 | F32-W51 HydrophobicContact CE1-CH2 4.46Å; A34-W51 HydrophobicContact CB-CB 3.88Å; A34-W51 HydrophobicContact CB-CD2 3.58Å; A34-W51 HydrophobicContact CB-CE3 3.97Å; A34-W51 HydrophobicContact CB-CG 3.55Å; L39-W51 HydrophobicContact CD1-CZ2 4.33Å; L39-W51 HydrophobicContact CD2-CH2 4.16Å; L39-W51 HydrophobicContact CD2-CZ2 3.62Å; L39-W51 HydrophobicContact CG-CZ2 3.79Å; W51-L139 HydrophobicContact CB-CB 4.31Å; W51-L139 HydrophobicContact CB-CD2 4.39Å; W51-L139 HydrophobicContact CE3-CB 3.95Å; W51-L139 VanDerWaalsContact CE3-O 3.26Å; W51-L139 WeakPolarHBondContact CZ3-O 3.15Å; W51-L140 WeakPolarHBondContact CA-O 3.35Å; W51-P141 HydrophobicContact CD2-CG 4.36Å; W51-P141 HydrophobicContact CE3-CG 4.02Å; W51-P141 HydrophobicContact CH2-CG 3.79Å; W51-P141 HydrophobicContact CZ2-CG 4.12Å; W51-P141 HydrophobicContact CZ3-CG 3.73Å; W51-Y174 HydrophobicContact CH2-CE2 4.2Å |
| 52 | K | 98.2 | Very high | 92.8 | Very high | 48 Ų | 48 | 83 Ų | 83 | 21% | 0.209 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 142.6 | -177.5 | -68.5 | -172.2 | -179.6 | 169.9 | 0 | 110.8 | E50 E56 L57 L140 T142 | E50-K52 WeakPolarHBondContact OE2-CE 3.24Å; E50-K52 IonicContact OE2-NZ 3.19Å; E50-K52 PolarHBondContact OE2-NZ 3.42Å; K52-E56 HydrophobicContact CB-CB 4.27Å; K52-L57 HydrophobicContact CB-CD1 4.48Å; K52-L57 HydrophobicContact CB-CD2 3.92Å; K52-L57 HydrophobicContact CB-CG 4.14Å; K52-L57 HydrophobicContact CD-CD2 3.86Å; K52-L57 HydrophobicContact CG-CD2 4.5Å; K52-L140 PolarHBondContact N-O 2.86Å; K52-L140 PolarHBondContact O-N 2.86Å; K52-T142 HydrophobicContact CB-CG2 4.23Å |
| 53 | R | 98.1 | Very high | 93 | Very high | 17 Ų | 17 | 77.7 Ų | 77.7 | 6% | 0.064 | 36% | 0.364 | C | S | . | . | trans | -79.9 | 156.4 | 172.3 | -59.3 | -173.1 | -176.6 | -99.8 | 1.3 | 110.6 | F27 K55 E56 L57 G119 D138 L139 | F27-R53 PolarHBondContact O-NH1 3.07Å; F27-R53 PolarHBondContact O-NH2 3.04Å; R53-K55 PolarHBondContact O-N 3.14Å; R53-K55 VanDerWaalsContact O-N 3.14Å; R53-E56 WeakPolarHBondContact CB-OE2 3.5Å; R53-E56 PolarHBondContact N-OE2 3.07Å; R53-E56 WeakPolarHBondContact O-CB 3.33Å; R53-E56 PolarHBondContact O-N 3.23Å; R53-L57 PolarHBondContact O-N 2.76Å; R53-G119 PolarHBondContact NH1-O 2.85Å; R53-D138 WeakPolarHBondContact CA-O 3.23Å; R53-D138 VanDerWaalsContact CD-OD1 3.26Å; R53-D138 WeakPolarHBondContact CD-OD1 3.48Å; R53-D138 WeakPolarHBondContact CG-OD1 3.4Å; R53-D138 IonicContact CZ-OD1 2.82Å; R53-D138 IonicContact NE-OD1 2.8Å; R53-D138 IonicContact NH1-OD1 2.94Å; R53-D138 PolarHBondContact NH1-OD1 2.83Å; R53-L139 HydrophobicContact CG-CD2 3.6Å; R53-L139 HydrophobicContact CG-CG 4.06Å | ||
| 54 | P | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -49.4 | -39.4 | 175.9 | -35.3 | 39.6 | 0 | 0 | 0 | 114.8 | E56 L57 C58 P61 W109 D138 L140 F158 | P54-E56 PolarHBondContact O-N 3.32Å; P54-L57 PolarHBondContact O-N 3.29Å; P54-C58 PolarHBondContact O-N 3.16Å; P54-P61 HydrophobicContact CB-CB 3.56Å; P54-P61 HydrophobicContact CB-CG 4.22Å; P54-W109 HydrophobicContact CB-CH2 4.17Å; P54-W109 HydrophobicContact CB-CZ2 3.8Å; P54-W109 HydrophobicContact CG-CH2 3.85Å; P54-W109 HydrophobicContact CG-CZ2 3.66Å; P54-D138 WeakPolarHBondContact CD-O 3.36Å; P54-D138 HydrophobicContact CG-CB 4.34Å; P54-L140 HydrophobicContact CG-CD1 4.34Å; P54-F158 HydrophobicContact CB-CD1 4.05Å; P54-F158 HydrophobicContact CB-CD2 3.79Å; P54-F158 HydrophobicContact CB-CE1 3.97Å; P54-F158 HydrophobicContact CB-CE2 3.72Å; P54-F158 HydrophobicContact CB-CG 3.96Å; P54-F158 HydrophobicContact CB-CZ 3.81Å; P54-F158 HydrophobicContact CG-CB 4.34Å; P54-F158 HydrophobicContact CG-CD1 3.8Å; P54-F158 HydrophobicContact CG-CD2 4.18Å; P54-F158 HydrophobicContact CG-CE1 4.12Å; P54-F158 HydrophobicContact CG-CE2 4.47Å; P54-F158 HydrophobicContact CG-CG 3.83Å; P54-F158 HydrophobicContact CG-CZ 4.45Å |
| 55 | K | 95.6 | Very high | 93.5 | Very high | 104 Ų | 104 | 67.8 Ų | 67.8 | 45% | 0.452 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.1 | -18.3 | 176.7 | -71.6 | -174.2 | 175.2 | 179.3 | 0 | 114.6 | R53 P61 Y117 | R53-K55 PolarHBondContact O-N 3.14Å; R53-K55 VanDerWaalsContact O-N 3.14Å; K55-P61 HydrophobicContact CG-CG 3.74Å; K55-Y117 HydrophobicContact CD-CE1 4.08Å |
| 56 | E | 96.8 | Very high | 93.4 | Very high | 119 Ų | 119 | 74.7 Ų | 74.7 | 56% | 0.556 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -89.6 | -12.3 | 174.2 | -59.7 | 172.7 | 79 | 0 | 0 | 112 | K52 R53 P54 | K52-E56 HydrophobicContact CB-CB 4.27Å; R53-E56 WeakPolarHBondContact CB-OE2 3.5Å; R53-E56 PolarHBondContact N-OE2 3.07Å; R53-E56 WeakPolarHBondContact O-CB 3.33Å; R53-E56 PolarHBondContact O-N 3.23Å; P54-E56 PolarHBondContact O-N 3.32Å |
| 57 | L | 95.8 | Very high | 93.4 | Very high | 51 Ų | 51 | 71 Ų | 71 | 27% | 0.267 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -104.2 | -31.1 | -177 | -59.9 | 176 | 0 | 0 | 0 | 112.5 | K52 R53 P54 T142 L147 F158 | K52-L57 HydrophobicContact CB-CD1 4.48Å; K52-L57 HydrophobicContact CB-CD2 3.92Å; K52-L57 HydrophobicContact CB-CG 4.14Å; K52-L57 HydrophobicContact CD-CD2 3.86Å; K52-L57 HydrophobicContact CG-CD2 4.5Å; R53-L57 PolarHBondContact O-N 2.76Å; P54-L57 PolarHBondContact O-N 3.29Å; L57-T142 HydrophobicContact CD1-CG2 4.1Å; L57-T142 HydrophobicContact CD2-CG2 4.03Å; L57-L147 HydrophobicContact CD1-CD2 4.01Å; L57-L147 HydrophobicContact CD1-CG 4.35Å; L57-F158 HydrophobicContact CB-CZ 4.49Å; L57-F158 HydrophobicContact CD1-CE1 4.17Å |
| 58 | C | 94.4 | Very high | 93.1 | Very high | 27 Ų | 27 | 64.6 Ų | 64.6 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | trans | -149.6 | 158.5 | 175.8 | 68.6 | 0 | 0 | 0 | 0 | 112.2 | P54 N156 F158 | P54-C58 PolarHBondContact O-N 3.16Å; C58-N156 HydrophobicContact CB-CB 4.36Å; C58-F158 VanDerWaalsContact SG-CE2 3.55Å | ||
| 59 | E | 91.5 | Very high | 92.8 | Very high | 202 Ų | 202 | 56.2 Ų | 56.2 | 94% | 0.944 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -71 | -34.5 | -177.2 | -63.8 | -175.3 | 166.7 | 0 | 0 | 113.9 | ||
| 60 | D | 94.2 | Very high | 92 | Very high | 84 Ų | 84 | 55.7 Ų | 55.7 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -130 | 70.9 | -172.2 | -176.4 | 40.4 | 0 | 0 | 0 | 111.2 | H62 N156 | D60-H62 PolarHBondContact O-CD2 3.43Å; D60-H62 IonicContact OD1-CE1 2.76Å; D60-H62 IonicContact OD1-NE2 2.63Å; D60-H62 PolarHBondContact OD1-NE2 2.78Å; D60-H62 IonicContact OD2-CD2 3.3Å; D60-H62 IonicContact OD2-CE1 2.57Å; D60-H62 IonicContact OD2-NE2 2.97Å; D60-H62 PolarHBondContact OD2-NE2 2.89Å; D60-N156 VanDerWaalsContact O-CB 3.25Å; D60-N156 WeakPolarHBondContact O-CB 3.33Å; D60-N156 PolarHBondContact O-ND2 2.96Å |
| 61 | P | 95.7 | Very high | 91.2 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 4% | 0.039 | 28% | 0.281 | C | S | . | . | trans | -71.3 | 138.1 | -178.6 | 29.7 | -34.2 | 0 | 0 | 0 | 111.6 | P54 K55 W109 F158 | P54-P61 HydrophobicContact CB-CB 3.56Å; P54-P61 HydrophobicContact CB-CG 4.22Å; K55-P61 HydrophobicContact CG-CG 3.74Å; P61-W109 HydrophobicContact CB-CD2 4.21Å; P61-W109 HydrophobicContact CB-CZ2 4.46Å; P61-W109 HydrophobicContact CG-CD2 4.23Å; P61-W109 HydrophobicContact CG-CG 4.18Å; P61-W109 VanDerWaalsContact O-CB 3.26Å; P61-W109 WeakPolarHBondContact O-CB 3.49Å; P61-F158 HydrophobicContact CB-CD2 3.99Å; P61-F158 HydrophobicContact CB-CE2 3.71Å | ||
| 62 | H | 95.3 | Very high | 90.4 | Very high | 42 Ų | 42 | 53.2 Ų | 53.2 | 19% | 0.194 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -126.2 | 151 | 173.2 | -66.1 | -88.4 | 0 | 0 | 0 | 110.2 | D60 V65 E108 W109 N156 E157 F158 | D60-H62 PolarHBondContact O-CD2 3.43Å; D60-H62 IonicContact OD1-CE1 2.76Å; D60-H62 IonicContact OD1-NE2 2.63Å; D60-H62 PolarHBondContact OD1-NE2 2.78Å; D60-H62 IonicContact OD2-CD2 3.3Å; D60-H62 IonicContact OD2-CE1 2.57Å; D60-H62 IonicContact OD2-NE2 2.97Å; D60-H62 PolarHBondContact OD2-NE2 2.89Å; H62-V65 HydrophobicContact CB-CG2 3.91Å; H62-E108 WeakPolarHBondContact CA-OE1 3.02Å; H62-W109 VanDerWaalsContact C-CE3 3.43Å; H62-W109 VanDerWaalsContact C-CZ3 3.41Å; H62-N156 PolarHBondContact CD2-ND2 3.39Å; H62-N156 PolarHBondContact N-O 3.38Å; H62-E157 WeakPolarHBondContact O-CA 3.29Å; H62-F158 PolarHBondContact O-N 2.87Å |
| 63 | L | 93 | Very high | 89.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -72.3 | -44.9 | 169.1 | -165.2 | 60.4 | 0 | 0 | 0 | 107.9 | Q107 E108 W109 F121 W159 L162 | L63-Q107 HydrophobicContact CD2-CB 3.81Å; L63-E108 WeakPolarHBondContact CB-OE2 3.49Å; L63-E108 VanDerWaalsContact N-CD 3.34Å; L63-E108 PolarHBondContact N-OE1 3.05Å; L63-E108 PolarHBondContact N-OE2 3.47Å; L63-W109 HydrophobicContact CB-CE3 4.23Å; L63-W109 HydrophobicContact CB-CZ3 3.94Å; L63-W109 HydrophobicContact CD1-CZ3 4.22Å; L63-W109 VanDerWaalsContact N-CE3 3.31Å; L63-W109 VanDerWaalsContact N-CZ3 3.31Å; L63-F121 HydrophobicContact CD1-CD1 4.05Å; L63-F121 HydrophobicContact CD1-CE1 3.91Å; L63-F121 HydrophobicContact CD2-CD1 4.26Å; L63-F121 HydrophobicContact CD2-CE1 4.2Å; L63-W159 HydrophobicContact CD1-CB 3.95Å; L63-W159 HydrophobicContact CG-CB 4.11Å; L63-W159 WeakPolarHBondContact O-CB 3.32Å; L63-W159 VanDerWaalsContact O-CD1 3.23Å; L63-W159 PolarHBondContact O-N 2.9Å; L63-W159 VanDerWaalsContact O-N 3.13Å; L63-L162 HydrophobicContact CD1-CD1 3.76Å |
| 64 | F | 91.4 | Very high | 89.2 | Confident | 22 Ų | 22 | 50.8 Ų | 50.8 | 10% | 0.096 | 27% | 0.266 | C | S | . | . | trans | -130.5 | 138.7 | 178 | -53.3 | -77.8 | 0 | 0 | 0 | 112.8 | I68 W97 I101 F104 E108 W159 | F64-I68 HydrophobicContact CD1-CD1 3.99Å; F64-I68 HydrophobicContact CD1-CG1 3.38Å; F64-I68 HydrophobicContact CE1-CD1 3.36Å; F64-I68 HydrophobicContact CE1-CG1 3.32Å; F64-I68 HydrophobicContact CZ-CD1 4.18Å; F64-I68 HydrophobicContact CZ-CG1 4.44Å; F64-W97 HydrophobicContact CE1-CZ3 4.45Å; F64-W97 HydrophobicContact CZ-CZ3 4.05Å; F64-I101 HydrophobicContact CE1-CD1 3.97Å; F64-I101 HydrophobicContact CZ-CD1 3.74Å; F64-I101 HydrophobicContact CZ-CG2 4.1Å; F64-F104 HydrophobicContact CD2-CD2 4.12Å; F64-F104 HydrophobicContact CE2-CB 3.78Å; F64-F104 AromaticContact CE2-CD2 3.91Å; F64-F104 HydrophobicContact CE2-CD2 3.91Å; F64-F104 HydrophobicContact CE2-CG 4.23Å; F64-F104 HydrophobicContact CZ-CB 4.29Å; F64-E108 PolarHBondContact N-OE2 2.94Å; F64-E108 VanDerWaalsContact N-OE2 3.17Å; F64-W159 HydrophobicContact CD1-CB 3.95Å; F64-W159 AromaticContact CD1-CD1 3.54Å; F64-W159 HydrophobicContact CD1-CD2 4.5Å; F64-W159 AromaticContact CD1-CG 3.73Å; F64-W159 HydrophobicContact CD1-CG 3.73Å; F64-W159 HydrophobicContact CE1-CB 3.44Å; F64-W159 VanDerWaalsContact CE1-CB 3.44Å; F64-W159 AromaticContact CE1-CD1 3.79Å; F64-W159 HydrophobicContact CE1-CD2 4.05Å; F64-W159 AromaticContact CE1-CG 3.47Å; F64-W159 HydrophobicContact CE1-CG 3.47Å; F64-W159 VanDerWaalsContact CE1-CG 3.47Å; F64-W159 HydrophobicContact CZ-CB 3.93Å; F64-W159 HydrophobicContact CZ-CG 4.42Å | ||
| 65 | V | 88.8 | Confident | 88.7 | Confident | 35 Ų | 35 | 52 Ų | 52 | 21% | 0.212 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -118 | 108.9 | 172 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | H62 G67 V154 E157 | H62-V65 HydrophobicContact CB-CG2 3.91Å; V65-G67 VanDerWaalsContact C-N 3.29Å; V65-G67 PolarHBondContact O-N 2.86Å; V65-V154 HydrophobicContact CB-CG1 4Å; V65-V154 HydrophobicContact CG1-CG1 4.01Å; V65-V154 HydrophobicContact CG2-CG1 3.95Å; V65-E157 HydrophobicContact CB-CB 4.36Å; V65-E157 HydrophobicContact CG2-CB 3.86Å; V65-E157 HydrophobicContact CG2-CG 4.31Å; V65-E157 PolarHBondContact N-OE1 2.94Å |
| 66 | N | 83.1 | Confident | 88.5 | Confident | 173 Ų | 173 | 48 Ų | 48 | 93% | 0.925 | 26% | 0.26 | S | S | * | . | S | Bend | trans | 64.2 | 25.7 | -175.2 | -53.2 | -53.5 | 0 | 0 | 0 | 115.1 | ||
| 67 | G | 82.8 | Confident | 88.1 | Confident | 35 Ų | 35 | 46.9 Ų | 46.9 | 36% | 0.361 | 26% | 0.257 | S | S | . | . | S | Bend | trans | 101 | -157 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | V65 | V65-G67 VanDerWaalsContact C-N 3.29Å; V65-G67 PolarHBondContact O-N 2.86Å |
| 68 | I | 81.9 | Confident | 87.7 | Confident | 29 Ų | 29 | 45.3 Ų | 45.3 | 15% | 0.149 | 25% | 0.249 | C | C | . | . | trans | -106.4 | 130.7 | 173.1 | -68.7 | -173.6 | 0 | 0 | 0 | 108.6 | F64 A91 W97 I101 W159 | F64-I68 HydrophobicContact CD1-CD1 3.99Å; F64-I68 HydrophobicContact CD1-CG1 3.38Å; F64-I68 HydrophobicContact CE1-CD1 3.36Å; F64-I68 HydrophobicContact CE1-CG1 3.32Å; F64-I68 HydrophobicContact CZ-CD1 4.18Å; F64-I68 HydrophobicContact CZ-CG1 4.44Å; I68-A91 HydrophobicContact CG2-CB 3.55Å; I68-W97 HydrophobicContact CD1-CB 4.16Å; I68-W97 HydrophobicContact CD1-CD2 3.27Å; I68-W97 HydrophobicContact CD1-CE3 3.34Å; I68-W97 HydrophobicContact CD1-CG 3.64Å; I68-W97 HydrophobicContact CD1-CH2 4.21Å; I68-W97 HydrophobicContact CD1-CZ2 4.16Å; I68-W97 HydrophobicContact CD1-CZ3 3.82Å; I68-W97 HydrophobicContact CG1-CD2 4.29Å; I68-W97 HydrophobicContact CG1-CE3 4.49Å; I68-W97 HydrophobicContact CG1-CZ2 4.42Å; I68-I101 HydrophobicContact CD1-CD1 4.19Å; I68-W159 HydrophobicContact CD1-CD2 4.5Å; I68-W159 HydrophobicContact CG2-CH2 3.9Å; I68-W159 HydrophobicContact CG2-CZ2 3.63Å | ||
| 69 | S | 84.4 | Confident | 87.4 | Confident | 41 Ų | 41 | 45.1 Ų | 45.1 | 29% | 0.287 | 25% | 0.252 | S | S | . | . | trans | -125.5 | 150.8 | 172.9 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | H71 D72 | S69-H71 PolarHBondContact O-N 2.9Å; S69-H71 WeakPolarHBondContact OG-CB 3.33Å; S69-H71 PolarHBondContact OG-N 2.97Å; S69-H71 VanDerWaalsContact OG-N 3.13Å; S69-H71 PolarHBondContact OG-ND1 3.49Å; S69-H71 VanDerWaalsContact OG-ND1 3.1Å; S69-D72 WeakPolarHBondContact CB-OD1 3.35Å; S69-D72 PolarHBondContact N-OD2 2.87Å; S69-D72 PolarHBondContact O-N 2.88Å | ||
| 70 | S | 79.5 | Confident | 87.2 | Confident | 9 Ų | 9 | 35.5 Ų | 35.5 | 6% | 0.063 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -59.6 | -26.9 | 166.8 | 50 | 0 | 0 | 0 | 0 | 111.1 | D72 L73 R283 | S70-D72 PolarHBondContact O-N 3.01Å; S70-L73 WeakPolarHBondContact O-CB 3.29Å; S70-L73 PolarHBondContact O-N 3.02Å; S70-R283 PolarHBondContact O-NE 2.86Å; S70-R283 PolarHBondContact O-NH1 2.77Å; S70-R283 PolarHBondContact O-NH2 2.83Å |
| 71 | H | 80.1 | Confident | 87 | Confident | 63 Ų | 63 | 32 Ų | 32 | 29% | 0.292 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -69.2 | -11.6 | 178.8 | -61.5 | 81.1 | 0 | 0 | 0 | 114 | S69 L73 H74 D320 | S69-H71 PolarHBondContact O-N 2.9Å; S69-H71 WeakPolarHBondContact OG-CB 3.33Å; S69-H71 PolarHBondContact OG-N 2.97Å; S69-H71 VanDerWaalsContact OG-N 3.13Å; S69-H71 PolarHBondContact OG-ND1 3.49Å; S69-H71 VanDerWaalsContact OG-ND1 3.1Å; H71-L73 PolarHBondContact O-N 3.01Å; H71-H74 PolarHBondContact O-CE1 2.83Å; H71-D320 IonicContact NE2-OD2 2.76Å; H71-D320 PolarHBondContact NE2-OD2 2.71Å |
| 72 | D | 80.7 | Confident | 86.8 | Confident | 11 Ų | 11 | 32.1 Ų | 32.1 | 6% | 0.059 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -83.9 | 3.6 | 178.4 | -44.7 | -23.7 | 0 | 0 | 0 | 111.8 | S69 S70 H151 S152 E157 W159 S160 | S69-D72 WeakPolarHBondContact CB-OD1 3.35Å; S69-D72 PolarHBondContact N-OD2 2.87Å; S69-D72 PolarHBondContact O-N 2.88Å; S70-D72 PolarHBondContact O-N 3.01Å; D72-H151 CarbonylContact O-C 3.5Å; D72-S152 WeakPolarHBondContact O-CA 3.37Å; D72-S152 PolarHBondContact O-N 2.93Å; D72-E157 VanDerWaalsContact CB-OE2 3.26Å; D72-E157 WeakPolarHBondContact CB-OE2 3.49Å; D72-W159 HydrophobicContact CB-CZ2 3.88Å; D72-W159 PolarHBondContact OD2-NE1 2.77Å; D72-S160 PolarHBondContact O-OG 3.08Å; D72-S160 VanDerWaalsContact O-OG 3.07Å |
| 73 | L | 84.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -118.2 | 105.1 | -172.3 | -66.4 | 163.7 | 0 | 0 | 0 | 110.2 | S70 H71 V84 C87 S88 W159 R283 | S70-L73 WeakPolarHBondContact O-CB 3.29Å; S70-L73 PolarHBondContact O-N 3.02Å; H71-L73 PolarHBondContact O-N 3.01Å; L73-V84 HydrophobicContact CB-CG1 3.86Å; L73-C87 HydrophobicContact CD1-CB 3.51Å; L73-C87 HydrophobicContact CD2-CB 3.64Å; L73-C87 HydrophobicContact CG-CB 4.24Å; L73-S88 VanDerWaalsContact CD1-CA 3.48Å; L73-W159 HydrophobicContact CD1-CH2 3.91Å; L73-W159 HydrophobicContact CD1-CZ2 4.4Å; L73-W159 HydrophobicContact CD2-CH2 3.7Å; L73-W159 HydrophobicContact CD2-CZ2 4.18Å; L73-W159 HydrophobicContact CD2-CZ3 4.23Å; L73-W159 HydrophobicContact CG-CH2 3.84Å; L73-W159 HydrophobicContact CG-CZ2 4.04Å; L73-R283 PolarHBondContact O-NH1 3.24Å; L73-R283 PolarHBondContact O-NH2 3.43Å | ||
| 74 | H | 85.7 | Confident | 86.7 | Confident | 14 Ų | 14 | 30.2 Ų | 30.2 | 7% | 0.065 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -120.9 | 134.6 | 169.5 | -61.7 | 79.9 | 0 | 0 | 0 | 109.6 | H71 C150 H151 N153 W286 | H71-H74 PolarHBondContact O-CE1 2.83Å; H74-C150 VanDerWaalsContact O-CA 3.28Å; H74-C150 WeakPolarHBondContact O-CA 3.46Å; H74-C150 PolarHBondContact O-SG 3.13Å; H74-H151 WeakPolarHBondContact CB-O 3.46Å; H74-H151 PolarHBondContact N-O 2.72Å; H74-H151 PolarHBondContact ND1-O 2.62Å; H74-H151 PolarHBondContact O-N 3Å; H74-N153 PolarHBondContact CE1-ND2 2.8Å; H74-N153 PolarHBondContact CE1-OD1 3.26Å; H74-N153 VanDerWaalsContact CE1-OD1 3.22Å; H74-N153 PolarHBondContact ND1-OD1 2.82Å; H74-N153 PolarHBondContact NE2-ND2 3.01Å; H74-N153 PolarHBondContact NE2-OD1 2.87Å; H74-W286 PolarHBondContact CD2-O 3.33Å |
| 75 | Q | 88.2 | Confident | 86.6 | Confident | 24 Ų | 24 | 29.1 Ų | 29.1 | 11% | 0.112 | 18% | 0.175 | C | C | . | . | trans | -68.1 | 138.4 | 173.3 | -172.2 | 179.5 | -14.3 | 0 | 0 | 110.7 | L78 V84 P285 | Q75-L78 PolarHBondContact NE2-O 3.43Å; Q75-V84 HydrophobicContact CB-CG2 4.18Å; Q75-V84 HydrophobicContact CG-CG2 4.44Å; Q75-P285 PolarHBondContact N-O 2.93Å | ||
| 76 | G | 90.2 | Very high | 86.8 | Confident | 21 Ų | 21 | 27.5 Ų | 27.5 | 22% | 0.216 | 17% | 0.165 | C | C | . | . | trans | -87.4 | -144.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L78 I148 Y149 | G76-L78 VanDerWaalsContact C-N 3.29Å; G76-L78 PolarHBondContact O-N 3.49Å; G76-I148 CarbonylContact C-O 3.52Å; G76-I148 VanDerWaalsContact CA-O 3.28Å; G76-I148 WeakPolarHBondContact CA-O 2.92Å; G76-Y149 WeakPolarHBondContact CA-O 3.25Å | ||
| 77 | I | 88.8 | Confident | 87.2 | Confident | 96 Ų | 96 | 19.3 Ų | 19.3 | 49% | 0.492 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -80 | -6.1 | -177 | 70.3 | 175 | 0 | 0 | 0 | 114.4 | M143 I148 Y149 | I77-M143 HydrophobicContact CD1-CE 3.75Å; I77-I148 HydrophobicContact CD1-CB 4.18Å; I77-I148 HydrophobicContact CD1-CD1 4.2Å; I77-I148 HydrophobicContact CD1-CG1 4.44Å; I77-I148 HydrophobicContact CG1-CB 4.45Å; I77-I148 WeakPolarHBondContact CG1-O 3.34Å; I77-I148 PolarHBondContact N-O 3.27Å; I77-Y149 HydrophobicContact CG1-CD1 4.38Å; I77-Y149 HydrophobicContact CG1-CE1 4.21Å |
| 78 | L | 88.2 | Confident | 87.5 | Confident | 17 Ų | 17 | 17.6 Ų | 17.6 | 9% | 0.089 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -92.8 | 143.5 | -175.1 | -171.3 | 66.1 | 0 | 0 | 0 | 110.8 | Q75 G76 N80 Y149 Y174 L177 D178 | Q75-L78 PolarHBondContact NE2-O 3.43Å; G76-L78 VanDerWaalsContact C-N 3.29Å; G76-L78 PolarHBondContact O-N 3.49Å; L78-N80 HydrophobicContact CD2-CB 3.99Å; L78-N80 HydrophobicContact CG-CB 4.13Å; L78-N80 PolarHBondContact O-N 3.29Å; L78-N80 PolarHBondContact O-OD1 3.4Å; L78-Y149 HydrophobicContact CB-CD1 3.85Å; L78-Y149 HydrophobicContact CB-CE1 3.98Å; L78-Y149 HydrophobicContact CD2-CD1 4.38Å; L78-Y149 HydrophobicContact CD2-CE1 4.34Å; L78-Y174 VanDerWaalsContact CD2-O 3.25Å; L78-Y174 WeakPolarHBondContact CD2-O 3.45Å; L78-L177 HydrophobicContact CD2-CB 3.95Å; L78-D178 HydrophobicContact CD1-CB 3.84Å |
| 79 | G | 86.8 | Confident | 87.8 | Confident | 24 Ų | 24 | 16.2 Ų | 16.2 | 25% | 0.247 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -74.1 | 48.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D178 G179 | G79-D178 VanDerWaalsContact CA-OD1 3.23Å; G79-D178 WeakPolarHBondContact CA-OD1 3.48Å; G79-D178 PolarHBondContact N-OD1 3.05Å; G79-G179 PolarHBondContact O-N 3.42Å; G79-G179 VanDerWaalsContact O-N 3.08Å |
| 80 | N | 88.8 | Confident | 88 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -110.7 | 29.1 | -177.7 | 74.5 | -22.8 | 0 | 0 | 0 | 113.4 | L78 W82 F83 V84 E164 L177 | L78-N80 HydrophobicContact CD2-CB 3.99Å; L78-N80 HydrophobicContact CG-CB 4.13Å; L78-N80 PolarHBondContact O-N 3.29Å; L78-N80 PolarHBondContact O-OD1 3.4Å; N80-W82 PolarHBondContact O-N 2.93Å; N80-F83 HydrophobicContact CB-CB 4.41Å; N80-F83 WeakPolarHBondContact O-CB 3.25Å; N80-F83 PolarHBondContact O-N 2.82Å; N80-V84 PolarHBondContact O-N 2.79Å; N80-E164 PolarHBondContact ND2-OE1 3.18Å; N80-L177 HydrophobicContact CB-CB 4.24Å; N80-L177 WeakPolarHBondContact CB-O 3.36Å | ||
| 81 | C | 88.8 | Confident | 88.4 | Confident | 11 Ų | 11 | 14.7 Ų | 14.7 | 7% | 0.074 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -45 | -38.7 | 175.1 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | F83 V84 A85 H252 | C81-F83 VanDerWaalsContact C-N 3.29Å; C81-F83 PolarHBondContact O-N 3.35Å; C81-V84 PolarHBondContact O-N 3.44Å; C81-A85 WeakPolarHBondContact O-CB 3.02Å; C81-A85 PolarHBondContact O-N 2.82Å; C81-H252 WeakPolarHBondContact CB-CE1 3.1Å; C81-H252 WeakPolarHBondContact CB-ND1 3.39Å |
| 82 | W | 92.6 | Very high | 88.5 | Confident | 8 Ų | 8 | 14.5 Ų | 14.5 | 3% | 0.03 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -56.1 | -38.8 | 176.2 | 68.5 | -91.3 | 0 | 0 | 0 | 113.4 | N80 A86 Y167 L177 G180 S181 A182 A185 A253 R411 | N80-W82 PolarHBondContact O-N 2.93Å; W82-A86 WeakPolarHBondContact O-CB 3.43Å; W82-A86 PolarHBondContact O-N 2.95Å; W82-A86 VanDerWaalsContact O-N 3.1Å; W82-Y167 AromaticContact CH2-CE1 3.61Å; W82-Y167 HydrophobicContact CH2-CE1 3.61Å; W82-Y167 HydrophobicContact CZ2-CE1 4.37Å; W82-Y167 HydrophobicContact CZ3-CE1 4.14Å; W82-L177 HydrophobicContact CZ2-CD2 4.49Å; W82-L177 PolarHBondContact NE1-O 2.94Å; W82-G180 VanDerWaalsContact CD1-N 3.33Å; W82-G180 VanDerWaalsContact CE2-CA 3.5Å; W82-G180 VanDerWaalsContact CG-C 3.49Å; W82-S181 VanDerWaalsContact CE3-C 3.43Å; W82-S181 VanDerWaalsContact CZ3-O 3.3Å; W82-S181 WeakPolarHBondContact CZ3-O 3.46Å; W82-A182 HydrophobicContact CB-CB 4.35Å; W82-A182 WeakPolarHBondContact O-CA 3.38Å; W82-A182 WeakPolarHBondContact O-CB 3.22Å; W82-A185 HydrophobicContact CE3-CB 3.78Å; W82-A185 HydrophobicContact CZ3-CB 3.45Å; W82-A185 VanDerWaalsContact CZ3-CB 3.45Å; W82-A253 HydrophobicContact CB-CB 4.44Å; W82-R411 VanDerWaalsContact CH2-NH1 3.34Å |
| 83 | F | 94.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 16.4 Ų | 16.4 | 0% | 0.004 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -72.6 | -46 | 176.9 | 169.1 | -94.5 | 0 | 0 | 0 | 110.4 | N80 C81 A85 A86 C87 L163 E164 Y167 F189 | N80-F83 HydrophobicContact CB-CB 4.41Å; N80-F83 WeakPolarHBondContact O-CB 3.25Å; N80-F83 PolarHBondContact O-N 2.82Å; C81-F83 VanDerWaalsContact C-N 3.29Å; C81-F83 PolarHBondContact O-N 3.35Å; F83-A85 VanDerWaalsContact C-N 3.31Å; F83-A85 PolarHBondContact O-N 2.75Å; F83-A86 WeakPolarHBondContact O-CB 3.38Å; F83-A86 PolarHBondContact O-N 2.97Å; F83-A86 VanDerWaalsContact O-N 3.13Å; F83-C87 VanDerWaalsContact CZ-SG 3.5Å; F83-C87 PolarHBondContact O-N 2.78Å; F83-C87 PolarHBondContact O-SG 2.73Å; F83-C87 VanDerWaalsContact O-SG 3.38Å; F83-L163 HydrophobicContact CZ-CG 4.26Å; F83-E164 HydrophobicContact CD1-CG 4.3Å; F83-E164 HydrophobicContact CE1-CB 3.67Å; F83-E164 HydrophobicContact CE1-CG 3.8Å; F83-E164 HydrophobicContact CZ-CB 4Å; F83-E164 HydrophobicContact CZ-CG 4.34Å; F83-Y167 AromaticContact CD2-CD1 3.32Å; F83-Y167 HydrophobicContact CD2-CD1 3.32Å; F83-Y167 AromaticContact CD2-CE1 3.55Å; F83-Y167 HydrophobicContact CD2-CE1 3.55Å; F83-Y167 HydrophobicContact CD2-CG 4.02Å; F83-Y167 AromaticContact CE2-CD1 3.37Å; F83-Y167 HydrophobicContact CE2-CD1 3.37Å; F83-Y167 HydrophobicContact CE2-CD2 4.35Å; F83-Y167 AromaticContact CE2-CE1 3.98Å; F83-Y167 HydrophobicContact CE2-CE1 3.98Å; F83-Y167 AromaticContact CE2-CG 3.57Å; F83-Y167 HydrophobicContact CE2-CG 3.57Å; F83-Y167 HydrophobicContact CG-CD1 4.35Å; F83-Y167 HydrophobicContact CZ-CD1 4.45Å; F83-F189 AromaticContact CD2-CZ 3.84Å; F83-F189 HydrophobicContact CD2-CZ 3.84Å; F83-F189 HydrophobicContact CE2-CE1 4.05Å; F83-F189 AromaticContact CE2-CZ 3.52Å; F83-F189 HydrophobicContact CE2-CZ 3.52Å; F83-F189 HydrophobicContact CZ-CZ 4.33Å |
| 84 | V | 90.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.4 | -37.6 | 179.8 | -173.2 | 0 | 0 | 0 | 0 | 111.1 | L73 Q75 N80 C81 C87 S88 P285 | L73-V84 HydrophobicContact CB-CG1 3.86Å; Q75-V84 HydrophobicContact CB-CG2 4.18Å; Q75-V84 HydrophobicContact CG-CG2 4.44Å; N80-V84 PolarHBondContact O-N 2.79Å; C81-V84 PolarHBondContact O-N 3.44Å; V84-C87 PolarHBondContact O-N 2.98Å; V84-S88 WeakPolarHBondContact O-CB 3.42Å; V84-S88 PolarHBondContact O-N 2.92Å; V84-S88 PolarHBondContact O-OG 3.21Å; V84-P285 HydrophobicContact CB-CB 3.9Å; V84-P285 HydrophobicContact CG1-CB 3.73Å |
| 85 | A | 90 | Very high | 88.8 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.7 | -47.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | C81 F83 C87 S88 C89 A253 S255 P285 | C81-A85 WeakPolarHBondContact O-CB 3.02Å; C81-A85 PolarHBondContact O-N 2.82Å; F83-A85 VanDerWaalsContact C-N 3.31Å; F83-A85 PolarHBondContact O-N 2.75Å; A85-C87 VanDerWaalsContact C-N 3.33Å; A85-C87 PolarHBondContact O-N 2.89Å; A85-S88 WeakPolarHBondContact O-CB 3.39Å; A85-S88 PolarHBondContact O-N 2.86Å; A85-C89 PolarHBondContact O-N 3.05Å; A85-A253 HydrophobicContact CB-CB 3.84Å; A85-S255 VanDerWaalsContact CA-OG 3.29Å; A85-S255 WeakPolarHBondContact CA-OG 3.36Å; A85-S255 PolarHBondContact O-OG 2.91Å; A85-P285 HydrophobicContact CB-CG 3.71Å |
| 86 | A | 92.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.7 | -40.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | W82 F83 S88 C89 L90 A185 I186 F189 | W82-A86 WeakPolarHBondContact O-CB 3.43Å; W82-A86 PolarHBondContact O-N 2.95Å; W82-A86 VanDerWaalsContact O-N 3.1Å; F83-A86 WeakPolarHBondContact O-CB 3.38Å; F83-A86 PolarHBondContact O-N 2.97Å; F83-A86 VanDerWaalsContact O-N 3.13Å; A86-S88 VanDerWaalsContact C-N 3.3Å; A86-S88 PolarHBondContact O-N 3.24Å; A86-C89 WeakPolarHBondContact O-CB 3.22Å; A86-C89 PolarHBondContact O-N 2.83Å; A86-L90 PolarHBondContact O-N 2.83Å; A86-A185 HydrophobicContact CB-CB 3.35Å; A86-I186 HydrophobicContact CB-CG1 3.69Å; A86-F189 HydrophobicContact CB-CD2 4.2Å; A86-F189 HydrophobicContact CB-CE2 3.63Å |
| 87 | C | 91.7 | Very high | 88.7 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.4 | -37.2 | 173.5 | -69.9 | 0 | 0 | 0 | 0 | 111.5 | L73 F83 V84 A85 C89 L90 A91 F189 | L73-C87 HydrophobicContact CD1-CB 3.51Å; L73-C87 HydrophobicContact CD2-CB 3.64Å; L73-C87 HydrophobicContact CG-CB 4.24Å; F83-C87 VanDerWaalsContact CZ-SG 3.5Å; F83-C87 PolarHBondContact O-N 2.78Å; F83-C87 PolarHBondContact O-SG 2.73Å; F83-C87 VanDerWaalsContact O-SG 3.38Å; V84-C87 PolarHBondContact O-N 2.98Å; A85-C87 VanDerWaalsContact C-N 3.33Å; A85-C87 PolarHBondContact O-N 2.89Å; C87-C89 VanDerWaalsContact C-N 3.33Å; C87-C89 PolarHBondContact O-N 2.68Å; C87-L90 WeakPolarHBondContact O-CB 3.35Å; C87-L90 PolarHBondContact O-N 2.89Å; C87-L90 VanDerWaalsContact O-N 3.14Å; C87-A91 PolarHBondContact O-N 3.31Å; C87-F189 VanDerWaalsContact SG-CZ 3.56Å |
| 88 | S | 89.1 | Confident | 88.9 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.7 | -38.9 | 177 | -61.2 | 0 | 0 | 0 | 0 | 111 | L73 V84 A85 A86 S255 R283 | L73-S88 VanDerWaalsContact CD1-CA 3.48Å; V84-S88 WeakPolarHBondContact O-CB 3.42Å; V84-S88 PolarHBondContact O-N 2.92Å; V84-S88 PolarHBondContact O-OG 3.21Å; A85-S88 WeakPolarHBondContact O-CB 3.39Å; A85-S88 PolarHBondContact O-N 2.86Å; A86-S88 VanDerWaalsContact C-N 3.3Å; A86-S88 PolarHBondContact O-N 3.24Å; S88-S255 WeakPolarHBondContact CB-OG 3.35Å; S88-R283 PolarHBondContact OG-NH1 3.35Å |
| 89 | C | 88.5 | Confident | 89 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.4 | -42.5 | 170.3 | -68.7 | 0 | 0 | 0 | 0 | 111.9 | A85 A86 C87 A91 L92 I186 L227 I228 | A85-C89 PolarHBondContact O-N 3.05Å; A86-C89 WeakPolarHBondContact O-CB 3.22Å; A86-C89 PolarHBondContact O-N 2.83Å; C87-C89 VanDerWaalsContact C-N 3.33Å; C87-C89 PolarHBondContact O-N 2.68Å; C89-A91 VanDerWaalsContact C-N 3.33Å; C89-A91 PolarHBondContact O-N 2.83Å; C89-L92 WeakPolarHBondContact O-CB 3.17Å; C89-L92 PolarHBondContact O-N 2.86Å; C89-I186 HydrophobicContact CB-CD1 4.39Å; C89-L227 HydrophobicContact CB-CB 4.08Å; C89-L227 HydrophobicContact CB-CD1 4.08Å; C89-L227 HydrophobicContact CB-CD2 4.08Å; C89-L227 HydrophobicContact CB-CG 4.3Å; C89-L227 WeakPolarHBondContact O-CD2 3.47Å; C89-I228 PolarHBondContact SG-O 2.82Å; C89-I228 VanDerWaalsContact SG-O 3.39Å |
| 90 | L | 88.6 | Confident | 89.5 | Confident | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.7 | -40.2 | 179.1 | -178.2 | 65 | 0 | 0 | 0 | 112.1 | A86 C87 L92 Q93 L96 W97 V100 F189 T190 | A86-L90 PolarHBondContact O-N 2.83Å; C87-L90 WeakPolarHBondContact O-CB 3.35Å; C87-L90 PolarHBondContact O-N 2.89Å; C87-L90 VanDerWaalsContact O-N 3.14Å; L90-L92 PolarHBondContact O-N 2.94Å; L90-L92 VanDerWaalsContact O-N 3.14Å; L90-Q93 PolarHBondContact O-N 2.82Å; L90-L96 HydrophobicContact CD1-CB 3.71Å; L90-W97 HydrophobicContact CD1-CB 4.14Å; L90-W97 HydrophobicContact CD2-CB 4.2Å; L90-W97 HydrophobicContact CG-CB 3.83Å; L90-V100 HydrophobicContact CD1-CG2 4.36Å; L90-V100 HydrophobicContact CD2-CB 4.21Å; L90-V100 HydrophobicContact CD2-CG1 4.3Å; L90-V100 HydrophobicContact CD2-CG2 3.92Å; L90-F189 HydrophobicContact CB-CD2 4.26Å; L90-F189 HydrophobicContact CD1-CB 4.06Å; L90-F189 HydrophobicContact CD2-CB 4.05Å; L90-F189 HydrophobicContact CD2-CD2 4.04Å; L90-F189 HydrophobicContact CD2-CG 3.95Å; L90-T190 HydrophobicContact CD1-CG2 4.42Å |
| 91 | A | 87.3 | Confident | 89.7 | Confident | 14 Ų | 14 | 27.2 Ų | 27.2 | 12% | 0.116 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.1 | -26.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I68 C87 C89 Q93 | I68-A91 HydrophobicContact CG2-CB 3.55Å; C87-A91 PolarHBondContact O-N 3.31Å; C89-A91 VanDerWaalsContact C-N 3.33Å; C89-A91 PolarHBondContact O-N 2.83Å; A91-Q93 PolarHBondContact O-N 3.28Å |
| 92 | L | 83.1 | Confident | 89.9 | Confident | 58 Ų | 58 | 26.9 Ų | 26.9 | 30% | 0.304 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -9.8 | 177.7 | -56.2 | 172.4 | 0 | 0 | 0 | 113.8 | C89 L90 T257 | C89-L92 WeakPolarHBondContact O-CB 3.17Å; C89-L92 PolarHBondContact O-N 2.86Å; L90-L92 PolarHBondContact O-N 2.94Å; L90-L92 VanDerWaalsContact O-N 3.14Å; L92-T257 HydrophobicContact CD1-CG2 4.11Å |
| 93 | Q | 86.6 | Confident | 89.9 | Confident | 52 Ų | 52 | 30.3 Ų | 30.3 | 24% | 0.243 | 15% | 0.153 | C | C | . | . | trans | -128.5 | 92.7 | -172.4 | -68 | -62.2 | -44.6 | 0 | 0 | 111.4 | L90 A91 T95 L96 W97 L227 | L90-Q93 PolarHBondContact O-N 2.82Å; A91-Q93 PolarHBondContact O-N 3.28Å; Q93-T95 VanDerWaalsContact C-N 3.29Å; Q93-T95 PolarHBondContact O-N 2.96Å; Q93-L96 HydrophobicContact CB-CB 3.97Å; Q93-L96 HydrophobicContact CB-CD1 3.67Å; Q93-L96 HydrophobicContact CB-CG 3.89Å; Q93-L96 HydrophobicContact CG-CD1 3.97Å; Q93-L96 PolarHBondContact O-N 2.78Å; Q93-W97 PolarHBondContact O-N 3.24Å; Q93-L227 HydrophobicContact CG-CD2 3.66Å | ||
| 94 | E | 85.2 | Confident | 89.7 | Confident | 125 Ų | 125 | 32.7 Ų | 32.7 | 58% | 0.584 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -53.5 | -45.7 | -173.4 | -160.5 | -172.6 | 160.2 | 0 | 0 | 113.3 | L96 W97 Q98 | E94-L96 PolarHBondContact O-N 2.87Å; E94-W97 HydrophobicContact CG-CZ2 4.33Å; E94-W97 VanDerWaalsContact O-CD1 3.25Å; E94-W97 PolarHBondContact O-N 3.49Å; E94-W97 PolarHBondContact O-NE1 3.47Å; E94-Q98 WeakPolarHBondContact O-CG 3.31Å; E94-Q98 PolarHBondContact O-N 3.17Å; E94-Q98 PolarHBondContact OE1-NE2 2.82Å; E94-Q98 VanDerWaalsContact OE1-NE2 3.15Å |
| 95 | T | 85.6 | Confident | 89.7 | Confident | 93 Ų | 93 | 40.5 Ų | 40.5 | 57% | 0.571 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -68.4 | -19.6 | -178.6 | 65.2 | 0 | 0 | 0 | 0 | 114.4 | Q93 | Q93-T95 VanDerWaalsContact C-N 3.29Å; Q93-T95 PolarHBondContact O-N 2.96Å |
| 96 | L | 87.9 | Confident | 89.7 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -87.8 | -45.3 | 178.8 | -65 | -179.8 | 0 | 0 | 0 | 110.6 | L90 Q93 E94 Q98 K99 V100 T190 L227 I342 | L90-L96 HydrophobicContact CD1-CB 3.71Å; Q93-L96 HydrophobicContact CB-CB 3.97Å; Q93-L96 HydrophobicContact CB-CD1 3.67Å; Q93-L96 HydrophobicContact CB-CG 3.89Å; Q93-L96 HydrophobicContact CG-CD1 3.97Å; Q93-L96 PolarHBondContact O-N 2.78Å; E94-L96 PolarHBondContact O-N 2.87Å; L96-Q98 VanDerWaalsContact C-N 3.29Å; L96-Q98 PolarHBondContact O-N 2.84Å; L96-K99 WeakPolarHBondContact O-CB 3.43Å; L96-K99 PolarHBondContact O-N 3.25Å; L96-V100 PolarHBondContact O-N 2.84Å; L96-T190 HydrophobicContact CB-CG2 4.41Å; L96-T190 HydrophobicContact CD1-CG2 3.82Å; L96-T190 HydrophobicContact CD2-CG2 4.46Å; L96-T190 HydrophobicContact CG-CG2 4.46Å; L96-L227 HydrophobicContact CD1-CD1 4.29Å; L96-I342 HydrophobicContact CD1-CD1 3.82Å; L96-I342 HydrophobicContact CD1-CG1 4.09Å; L96-I342 HydrophobicContact CD2-CD1 4.23Å |
| 97 | W | 88.1 | Confident | 89.7 | Confident | 17 Ų | 17 | 46.4 Ų | 46.4 | 6% | 0.064 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.6 | -34 | 179.9 | 78.7 | -112.9 | 0 | 0 | 0 | 112 | F64 I68 L90 Q93 E94 K99 V100 I101 F104 | F64-W97 HydrophobicContact CE1-CZ3 4.45Å; F64-W97 HydrophobicContact CZ-CZ3 4.05Å; I68-W97 HydrophobicContact CD1-CB 4.16Å; I68-W97 HydrophobicContact CD1-CD2 3.27Å; I68-W97 HydrophobicContact CD1-CE3 3.34Å; I68-W97 HydrophobicContact CD1-CG 3.64Å; I68-W97 HydrophobicContact CD1-CH2 4.21Å; I68-W97 HydrophobicContact CD1-CZ2 4.16Å; I68-W97 HydrophobicContact CD1-CZ3 3.82Å; I68-W97 HydrophobicContact CG1-CD2 4.29Å; I68-W97 HydrophobicContact CG1-CE3 4.49Å; I68-W97 HydrophobicContact CG1-CZ2 4.42Å; L90-W97 HydrophobicContact CD1-CB 4.14Å; L90-W97 HydrophobicContact CD2-CB 4.2Å; L90-W97 HydrophobicContact CG-CB 3.83Å; Q93-W97 PolarHBondContact O-N 3.24Å; E94-W97 HydrophobicContact CG-CZ2 4.33Å; E94-W97 VanDerWaalsContact O-CD1 3.25Å; E94-W97 PolarHBondContact O-N 3.49Å; E94-W97 PolarHBondContact O-NE1 3.47Å; W97-K99 PolarHBondContact O-N 2.87Å; W97-K99 VanDerWaalsContact O-N 3.1Å; W97-V100 CarbonylContact O-C 3.46Å; W97-V100 WeakPolarHBondContact O-CA 3.46Å; W97-V100 WeakPolarHBondContact O-CB 3.43Å; W97-V100 PolarHBondContact O-N 3Å; W97-I101 HydrophobicContact CE3-CB 4.15Å; W97-I101 HydrophobicContact CE3-CD1 4.37Å; W97-I101 HydrophobicContact CE3-CG1 4.38Å; W97-I101 HydrophobicContact CZ3-CB 4.27Å; W97-I101 PolarHBondContact O-N 2.93Å; W97-F104 AromaticContact CH2-CD1 3.67Å; W97-F104 HydrophobicContact CH2-CD1 3.67Å; W97-F104 AromaticContact CH2-CD2 3.96Å; W97-F104 HydrophobicContact CH2-CD2 3.96Å; W97-F104 AromaticContact CH2-CE1 3.73Å; W97-F104 HydrophobicContact CH2-CE1 3.73Å; W97-F104 HydrophobicContact CH2-CE2 4.01Å; W97-F104 AromaticContact CH2-CG 3.79Å; W97-F104 HydrophobicContact CH2-CG 3.79Å; W97-F104 AromaticContact CH2-CZ 3.89Å; W97-F104 HydrophobicContact CH2-CZ 3.89Å; W97-F104 HydrophobicContact CZ3-CB 4.1Å; W97-F104 AromaticContact CZ3-CD1 3.83Å; W97-F104 HydrophobicContact CZ3-CD1 3.83Å; W97-F104 HydrophobicContact CZ3-CD2 4.38Å; W97-F104 HydrophobicContact CZ3-CE1 4.33Å; W97-F104 AromaticContact CZ3-CG 3.86Å; W97-F104 HydrophobicContact CZ3-CG 3.86Å |
| 98 | Q | 91.6 | Very high | 89.9 | Confident | 75 Ų | 75 | 48.8 Ų | 48.8 | 35% | 0.35 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62 | -19.6 | 175.5 | -72.9 | 176.9 | 4.4 | 0 | 0 | 113.1 | E94 L96 F104 | E94-Q98 WeakPolarHBondContact O-CG 3.31Å; E94-Q98 PolarHBondContact O-N 3.17Å; E94-Q98 PolarHBondContact OE1-NE2 2.82Å; E94-Q98 VanDerWaalsContact OE1-NE2 3.15Å; L96-Q98 VanDerWaalsContact C-N 3.29Å; L96-Q98 PolarHBondContact O-N 2.84Å; Q98-F104 HydrophobicContact CG-CE1 4.36Å |
| 99 | K | 92 | Very high | 90.1 | Very high | 104 Ų | 104 | 49.6 Ų | 49.6 | 45% | 0.452 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -78.5 | -34.3 | 170.8 | -63.6 | 178 | -176.9 | 173.5 | 0 | 112 | L96 W97 R124 W131 | L96-K99 WeakPolarHBondContact O-CB 3.43Å; L96-K99 PolarHBondContact O-N 3.25Å; W97-K99 PolarHBondContact O-N 2.87Å; W97-K99 VanDerWaalsContact O-N 3.1Å; K99-R124 WeakPolarHBondContact O-CB 3.48Å; K99-W131 HydrophobicContact CB-CH2 4.01Å; K99-W131 HydrophobicContact CB-CZ2 4.37Å; K99-W131 HydrophobicContact CB-CZ3 4.49Å; K99-W131 HydrophobicContact CD-CZ2 4.21Å |
| 100 | V | 95.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -77.4 | -39.1 | 179.8 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | L90 L96 W97 P102 F123 R124 F125 L163 F189 | L90-V100 HydrophobicContact CD1-CG2 4.36Å; L90-V100 HydrophobicContact CD2-CB 4.21Å; L90-V100 HydrophobicContact CD2-CG1 4.3Å; L90-V100 HydrophobicContact CD2-CG2 3.92Å; L96-V100 PolarHBondContact O-N 2.84Å; W97-V100 CarbonylContact O-C 3.46Å; W97-V100 WeakPolarHBondContact O-CA 3.46Å; W97-V100 WeakPolarHBondContact O-CB 3.43Å; W97-V100 PolarHBondContact O-N 3Å; V100-P102 VanDerWaalsContact C-CD 3.46Å; V100-P102 WeakPolarHBondContact O-CD 3.39Å; V100-F123 CarbonylContact O-C 3.52Å; V100-F123 VanDerWaalsContact O-CA 3.27Å; V100-F123 WeakPolarHBondContact O-CA 3.42Å; V100-R124 WeakPolarHBondContact CA-O 3.47Å; V100-R124 PolarHBondContact O-N 2.87Å; V100-F125 HydrophobicContact CG1-CE1 4.42Å; V100-L163 HydrophobicContact CG1-CD1 3.57Å; V100-F189 HydrophobicContact CG1-CD1 4.5Å; V100-F189 HydrophobicContact CG2-CB 3.97Å; V100-F189 HydrophobicContact CG2-CD1 4.5Å; V100-F189 WeakPolarHBondContact CG2-O 3.46Å |
| 101 | I | 94.5 | Very high | 90.2 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -114.5 | 77.2 | 175.5 | -40.3 | -179.1 | 0 | 0 | 0 | 107.8 | F64 I68 W97 F104 F123 W159 | F64-I101 HydrophobicContact CE1-CD1 3.97Å; F64-I101 HydrophobicContact CZ-CD1 3.74Å; F64-I101 HydrophobicContact CZ-CG2 4.1Å; I68-I101 HydrophobicContact CD1-CD1 4.19Å; W97-I101 HydrophobicContact CE3-CB 4.15Å; W97-I101 HydrophobicContact CE3-CD1 4.37Å; W97-I101 HydrophobicContact CE3-CG1 4.38Å; W97-I101 HydrophobicContact CZ3-CB 4.27Å; W97-I101 PolarHBondContact O-N 2.93Å; I101-F104 HydrophobicContact CG2-CB 4.07Å; I101-F123 HydrophobicContact CB-CD1 4.5Å; I101-F123 HydrophobicContact CD1-CE1 4.11Å; I101-F123 HydrophobicContact CG1-CD1 3.9Å; I101-F123 HydrophobicContact CG1-CE1 3.94Å; I101-F123 HydrophobicContact CG2-CD1 4.34Å; I101-F123 HydrophobicContact CG2-CE1 4.09Å; I101-W159 HydrophobicContact CD1-CB 4.45Å; I101-W159 HydrophobicContact CD1-CE3 3.98Å |
| 102 | P | 92.9 | Very high | 90.5 | Very high | 4 Ų | 4 | 65.3 Ų | 65.3 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 156.1 | -179.8 | 32.7 | -39.3 | 0 | 0 | 0 | 110.7 | V100 F104 Q107 H122 R124 | V100-P102 VanDerWaalsContact C-CD 3.46Å; V100-P102 WeakPolarHBondContact O-CD 3.39Å; P102-F104 PolarHBondContact O-N 2.97Å; P102-Q107 PolarHBondContact O-NE2 3.36Å; P102-H122 VanDerWaalsContact CG-CE1 3.47Å; P102-H122 WeakPolarHBondContact CG-CE1 3.14Å; P102-R124 HydrophobicContact CG-CG 4.03Å |
| 103 | D | 91.6 | Very high | 90.9 | Very high | 80 Ų | 80 | 66.9 Ų | 66.9 | 43% | 0.428 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 30.1 | 170.5 | -48.5 | -45 | 0 | 0 | 0 | 113.5 | K105 E106 Q107 | D103-K105 PolarHBondContact O-N 3.37Å; D103-E106 WeakPolarHBondContact O-CA 3.38Å; D103-E106 WeakPolarHBondContact O-CB 3.32Å; D103-E106 PolarHBondContact O-N 2.93Å; D103-Q107 PolarHBondContact O-N 3.43Å |
| 104 | F | 89.8 | Confident | 91.1 | Very high | 50 Ų | 50 | 68.1 Ų | 68.1 | 22% | 0.219 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -54.8 | -32.7 | -166.6 | 71.1 | -90.8 | 0 | 0 | 0 | 113.7 | F64 W97 Q98 I101 P102 E106 Q107 E108 | F64-F104 HydrophobicContact CD2-CD2 4.12Å; F64-F104 HydrophobicContact CE2-CB 3.78Å; F64-F104 AromaticContact CE2-CD2 3.91Å; F64-F104 HydrophobicContact CE2-CD2 3.91Å; F64-F104 HydrophobicContact CE2-CG 4.23Å; F64-F104 HydrophobicContact CZ-CB 4.29Å; W97-F104 AromaticContact CH2-CD1 3.67Å; W97-F104 HydrophobicContact CH2-CD1 3.67Å; W97-F104 AromaticContact CH2-CD2 3.96Å; W97-F104 HydrophobicContact CH2-CD2 3.96Å; W97-F104 AromaticContact CH2-CE1 3.73Å; W97-F104 HydrophobicContact CH2-CE1 3.73Å; W97-F104 HydrophobicContact CH2-CE2 4.01Å; W97-F104 AromaticContact CH2-CG 3.79Å; W97-F104 HydrophobicContact CH2-CG 3.79Å; W97-F104 AromaticContact CH2-CZ 3.89Å; W97-F104 HydrophobicContact CH2-CZ 3.89Å; W97-F104 HydrophobicContact CZ3-CB 4.1Å; W97-F104 AromaticContact CZ3-CD1 3.83Å; W97-F104 HydrophobicContact CZ3-CD1 3.83Å; W97-F104 HydrophobicContact CZ3-CD2 4.38Å; W97-F104 HydrophobicContact CZ3-CE1 4.33Å; W97-F104 AromaticContact CZ3-CG 3.86Å; W97-F104 HydrophobicContact CZ3-CG 3.86Å; Q98-F104 HydrophobicContact CG-CE1 4.36Å; I101-F104 HydrophobicContact CG2-CB 4.07Å; P102-F104 PolarHBondContact O-N 2.97Å; F104-E106 VanDerWaalsContact C-N 3.3Å; F104-E106 PolarHBondContact O-N 3.34Å; F104-Q107 PolarHBondContact O-N 3.22Å; F104-E108 PolarHBondContact O-N 2.94Å; F104-E108 VanDerWaalsContact O-N 3.14Å |
| 105 | K | 90.8 | Very high | 91.4 | Very high | 165 Ų | 165 | 67.6 Ų | 67.6 | 72% | 0.717 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65.6 | -29.3 | 175.5 | -62.5 | -176.3 | -179.8 | 178.6 | 0 | 113.6 | D103 | D103-K105 PolarHBondContact O-N 3.37Å |
| 106 | E | 90.5 | Very high | 91.7 | Very high | 117 Ų | 117 | 68.3 Ų | 68.3 | 55% | 0.547 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -85 | -16.6 | 177.6 | -56.7 | -172.3 | 171.9 | 0 | 0 | 112.7 | K17 D103 F104 | K17-E106 PolarHBondContact NZ-O 3.18Å; D103-E106 WeakPolarHBondContact O-CA 3.38Å; D103-E106 WeakPolarHBondContact O-CB 3.32Å; D103-E106 PolarHBondContact O-N 2.93Å; F104-E106 VanDerWaalsContact C-N 3.3Å; F104-E106 PolarHBondContact O-N 3.34Å |
| 107 | Q | 94 | Very high | 92 | Very high | 7 Ų | 7 | 69.9 Ų | 69.9 | 3% | 0.033 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -86.5 | -23.3 | 173.8 | -55.4 | -162.2 | 58.1 | 0 | 0 | 112.2 | L63 P102 D103 F104 F121 H122 | L63-Q107 HydrophobicContact CD2-CB 3.81Å; P102-Q107 PolarHBondContact O-NE2 3.36Å; D103-Q107 PolarHBondContact O-N 3.43Å; F104-Q107 PolarHBondContact O-N 3.22Å; Q107-F121 HydrophobicContact CB-CD1 4.02Å; Q107-F121 HydrophobicContact CB-CE1 4.26Å; Q107-F121 WeakPolarHBondContact O-CE1 3.28Å; Q107-H122 PolarHBondContact NE2-CD2 2.91Å; Q107-H122 PolarHBondContact NE2-NE2 2.82Å; Q107-H122 PolarHBondContact NE2-O 2.99Å; Q107-H122 PolarHBondContact OE1-CD2 3.07Å; Q107-H122 PolarHBondContact OE1-O 2.92Å |
| 108 | E | 93.9 | Very high | 92.4 | Very high | 50 Ų | 50 | 69.2 Ų | 69.2 | 23% | 0.234 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -58.4 | 147.5 | -179.5 | -171.2 | 55.5 | -84.8 | 0 | 0 | 113.1 | H62 L63 F64 F104 D110 | H62-E108 WeakPolarHBondContact CA-OE1 3.02Å; L63-E108 WeakPolarHBondContact CB-OE2 3.49Å; L63-E108 VanDerWaalsContact N-CD 3.34Å; L63-E108 PolarHBondContact N-OE1 3.05Å; L63-E108 PolarHBondContact N-OE2 3.47Å; F64-E108 PolarHBondContact N-OE2 2.94Å; F64-E108 VanDerWaalsContact N-OE2 3.17Å; F104-E108 PolarHBondContact O-N 2.94Å; F104-E108 VanDerWaalsContact O-N 3.14Å; E108-D110 PolarHBondContact O-N 3.47Å |
| 109 | W | 93.8 | Very high | 92.7 | Very high | 17 Ų | 17 | 65.6 Ų | 65.6 | 6% | 0.064 | 32% | 0.315 | C | S | . | . | trans | -67.4 | 113 | 169.6 | -73.3 | -90.4 | 0 | 0 | 0 | 109.7 | P54 P61 H62 L63 P111 Y117 F121 F158 L162 | P54-W109 HydrophobicContact CB-CH2 4.17Å; P54-W109 HydrophobicContact CB-CZ2 3.8Å; P54-W109 HydrophobicContact CG-CH2 3.85Å; P54-W109 HydrophobicContact CG-CZ2 3.66Å; P61-W109 HydrophobicContact CB-CD2 4.21Å; P61-W109 HydrophobicContact CB-CZ2 4.46Å; P61-W109 HydrophobicContact CG-CD2 4.23Å; P61-W109 HydrophobicContact CG-CG 4.18Å; P61-W109 VanDerWaalsContact O-CB 3.26Å; P61-W109 WeakPolarHBondContact O-CB 3.49Å; H62-W109 VanDerWaalsContact C-CE3 3.43Å; H62-W109 VanDerWaalsContact C-CZ3 3.41Å; L63-W109 HydrophobicContact CB-CE3 4.23Å; L63-W109 HydrophobicContact CB-CZ3 3.94Å; L63-W109 HydrophobicContact CD1-CZ3 4.22Å; L63-W109 VanDerWaalsContact N-CE3 3.31Å; L63-W109 VanDerWaalsContact N-CZ3 3.31Å; W109-P111 WeakPolarHBondContact O-CD 3.36Å; W109-Y117 AromaticContact CD1-CD2 3.58Å; W109-Y117 AromaticContact CD1-CE2 3.77Å; W109-Y117 AromaticContact CE2-CE2 3.91Å; W109-Y117 HydrophobicContact CZ2-CE2 4.35Å; W109-Y117 AromaticContact NE1-CD2 3.41Å; W109-Y117 AromaticContact NE1-CE2 3.07Å; W109-Y117 AromaticContact NE1-CZ 3.78Å; W109-F121 HydrophobicContact CD2-CZ 4.36Å; W109-F121 AromaticContact CE2-CZ 3.92Å; W109-F121 HydrophobicContact CE3-CZ 4.29Å; W109-F121 HydrophobicContact CH2-CE1 4.01Å; W109-F121 HydrophobicContact CH2-CE2 4.08Å; W109-F121 AromaticContact CH2-CZ 3.39Å; W109-F121 HydrophobicContact CH2-CZ 3.39Å; W109-F121 HydrophobicContact CZ2-CE1 4.43Å; W109-F121 AromaticContact CZ2-CE2 3.92Å; W109-F121 HydrophobicContact CZ2-CE2 3.92Å; W109-F121 AromaticContact CZ2-CZ 3.43Å; W109-F121 HydrophobicContact CZ2-CZ 3.43Å; W109-F121 VanDerWaalsContact CZ2-CZ 3.43Å; W109-F121 HydrophobicContact CZ3-CE1 4.07Å; W109-F121 AromaticContact CZ3-CZ 3.83Å; W109-F121 HydrophobicContact CZ3-CZ 3.83Å; W109-F158 HydrophobicContact CH2-CB 4.17Å; W109-F158 HydrophobicContact CZ3-CB 4.42Å; W109-L162 HydrophobicContact CH2-CD1 4.07Å | ||
| 110 | D | 91.5 | Very high | 93 | Very high | 61 Ų | 61 | 60.9 Ų | 60.9 | 33% | 0.326 | 30% | 0.295 | S | S | . | . | trans | -102.3 | 104.8 | 176.4 | -173.6 | -6.6 | 0 | 0 | 0 | 110.4 | E108 K112 K113 | E108-D110 PolarHBondContact O-N 3.47Å; D110-K112 PolarHBondContact O-N 2.85Å; D110-K112 VanDerWaalsContact O-N 3.15Å; D110-K112 WeakPolarHBondContact OD1-CA 3.35Å; D110-K112 VanDerWaalsContact OD1-CB 3.26Å; D110-K112 WeakPolarHBondContact OD1-CB 3.44Å; D110-K112 PolarHBondContact OD1-N 2.8Å; D110-K113 HydrophobicContact CB-CB 4.21Å; D110-K113 CarbonylContact O-C 3.59Å; D110-K113 PolarHBondContact O-N 2.84Å | ||
| 111 | P | 88.6 | Confident | 93.2 | Very high | 103 Ų | 103 | 61 Ų | 61 | 67% | 0.669 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -18.4 | 178.3 | 26.3 | -34.2 | 0 | 0 | 0 | 112.7 | W109 K113 | W109-P111 WeakPolarHBondContact O-CD 3.36Å; P111-K113 VanDerWaalsContact C-N 3.35Å |
| 112 | K | 92.6 | Very high | 93.3 | Very high | 184 Ų | 184 | 61 Ų | 61 | 80% | 0.8 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -14.4 | 175.1 | -57.3 | 176.8 | 179.8 | 173.5 | 0 | 112.6 | D110 | D110-K112 PolarHBondContact O-N 2.85Å; D110-K112 VanDerWaalsContact O-N 3.15Å; D110-K112 WeakPolarHBondContact OD1-CA 3.35Å; D110-K112 VanDerWaalsContact OD1-CB 3.26Å; D110-K112 WeakPolarHBondContact OD1-CB 3.44Å; D110-K112 PolarHBondContact OD1-N 2.8Å |
| 113 | K | 92.2 | Very high | 93.6 | Very high | 91 Ų | 91 | 60.9 Ų | 60.9 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | trans | -137.6 | 58 | -179.2 | -62.3 | -179.9 | -174.1 | 162.3 | 0 | 111.2 | D110 P111 E115 K116 | D110-K113 HydrophobicContact CB-CB 4.21Å; D110-K113 CarbonylContact O-C 3.59Å; D110-K113 PolarHBondContact O-N 2.84Å; P111-K113 VanDerWaalsContact C-N 3.35Å; K113-E115 VanDerWaalsContact CA-OE2 3.29Å; K113-E115 WeakPolarHBondContact CA-OE2 3.4Å; K113-E115 WeakPolarHBondContact CB-OE1 3.32Å; K113-E115 PolarHBondContact O-N 2.81Å; K113-E115 VanDerWaalsContact O-N 3.13Å; K113-K116 HydrophobicContact CB-CB 4.44Å; K113-K116 HydrophobicContact CB-CD 4.03Å; K113-K116 HydrophobicContact CB-CG 4.09Å; K113-K116 HydrophobicContact CD-CD 3.89Å; K113-K116 WeakPolarHBondContact O-CB 3.44Å; K113-K116 PolarHBondContact O-N 2.92Å | ||
| 114 | P | 90.6 | Very high | 93.9 | Very high | 78 Ų | 78 | 60.1 Ų | 60.1 | 51% | 0.506 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -60.3 | -24.9 | -176.9 | 27 | -35.8 | 0 | 0 | 0 | 112.9 | K116 Y117 | P114-K116 PolarHBondContact O-N 2.86Å; P114-Y117 PolarHBondContact O-N 3.1Å |
| 115 | E | 90.9 | Very high | 94.2 | Very high | 114 Ų | 114 | 57.7 Ų | 57.7 | 53% | 0.533 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -66.7 | -16.7 | 175.9 | 74.8 | -70 | 166.2 | 0 | 0 | 114.1 | K113 | K113-E115 VanDerWaalsContact CA-OE2 3.29Å; K113-E115 WeakPolarHBondContact CA-OE2 3.4Å; K113-E115 WeakPolarHBondContact CB-OE1 3.32Å; K113-E115 PolarHBondContact O-N 2.81Å; K113-E115 VanDerWaalsContact O-N 3.13Å |
| 116 | K | 92.3 | Very high | 94.4 | Very high | 109 Ų | 109 | 50.3 Ų | 50.3 | 47% | 0.474 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -85.3 | -14.8 | 176 | -68.5 | -168.6 | 171 | -162.7 | 0 | 113.6 | K17 K113 P114 | K17-K116 WeakPolarHBondContact CE-O 3.12Å; K113-K116 HydrophobicContact CB-CB 4.44Å; K113-K116 HydrophobicContact CB-CD 4.03Å; K113-K116 HydrophobicContact CB-CG 4.09Å; K113-K116 HydrophobicContact CD-CD 3.89Å; K113-K116 WeakPolarHBondContact O-CB 3.44Å; K113-K116 PolarHBondContact O-N 2.92Å; P114-K116 PolarHBondContact O-N 2.86Å |
| 117 | Y | 95.3 | Very high | 94.6 | Very high | 39 Ų | 39 | 46.5 Ų | 46.5 | 15% | 0.153 | 23% | 0.228 | C | C | . | . | trans | -77.2 | 125.3 | 175.9 | 169.6 | -101.3 | 0 | 0 | 0 | 109.9 | L26 K55 W109 P114 D138 | L26-Y117 HydrophobicContact CD1-CE1 4.4Å; L26-Y117 HydrophobicContact CD2-CD1 3.91Å; L26-Y117 HydrophobicContact CD2-CE1 3.47Å; L26-Y117 VanDerWaalsContact CD2-CE1 3.47Å; K55-Y117 HydrophobicContact CD-CE1 4.08Å; W109-Y117 AromaticContact CD1-CD2 3.58Å; W109-Y117 AromaticContact CD1-CE2 3.77Å; W109-Y117 AromaticContact CE2-CE2 3.91Å; W109-Y117 HydrophobicContact CZ2-CE2 4.35Å; W109-Y117 AromaticContact NE1-CD2 3.41Å; W109-Y117 AromaticContact NE1-CE2 3.07Å; W109-Y117 AromaticContact NE1-CZ 3.78Å; P114-Y117 PolarHBondContact O-N 3.1Å; Y117-D138 VanDerWaalsContact CE2-OD2 3.3Å; Y117-D138 WeakPolarHBondContact CE2-OD2 3.48Å; Y117-D138 VanDerWaalsContact CZ-OD2 3.32Å; Y117-D138 PolarHBondContact OH-OD1 3.48Å; Y117-D138 PolarHBondContact OH-OD2 3.27Å | ||
| 118 | A | 96.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | trans | -130.3 | 16.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K17 C20 I21 F27 I120 | K17-A118 HydrophobicContact CG-CB 4.39Å; C20-A118 HydrophobicContact CB-CB 3.75Å; I21-A118 HydrophobicContact CG1-CB 4.01Å; F27-A118 WeakPolarHBondContact CB-O 3.32Å; F27-A118 PolarHBondContact N-O 2.82Å; A118-I120 VanDerWaalsContact C-N 3.28Å; A118-I120 HydrophobicContact CB-CG2 3.92Å; A118-I120 PolarHBondContact O-N 3.33Å | ||
| 119 | G | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 59.8 | 34.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R53 D137 D138 | R53-G119 PolarHBondContact NH1-O 2.85Å; G119-D137 WeakPolarHBondContact O-CA 3.29Å; G119-D137 WeakPolarHBondContact O-CB 3.31Å; G119-D138 PolarHBondContact O-N 2.79Å |
| 120 | I | 98.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 134.7 | -173.6 | -172.7 | 174.2 | 0 | 0 | 0 | 110.4 | Y13 L16 K17 F27 A118 V135 | Y13-I120 HydrophobicContact CD2-CD1 4.15Å; Y13-I120 HydrophobicContact CD2-CG1 4.01Å; Y13-I120 HydrophobicContact CE2-CG1 4.1Å; Y13-I120 HydrophobicContact CE2-CG2 4.11Å; L16-I120 HydrophobicContact CB-CD1 3.62Å; K17-I120 HydrophobicContact CB-CD1 4.48Å; K17-I120 HydrophobicContact CB-CG2 3.83Å; K17-I120 HydrophobicContact CD-CG2 4.2Å; K17-I120 HydrophobicContact CG-CG2 3.85Å; F27-I120 HydrophobicContact CB-CB 3.72Å; F27-I120 HydrophobicContact CB-CD1 4.29Å; F27-I120 HydrophobicContact CB-CG1 4.25Å; F27-I120 HydrophobicContact CD1-CB 3.89Å; F27-I120 HydrophobicContact CD1-CD1 3.77Å; F27-I120 HydrophobicContact CD1-CG1 3.56Å; F27-I120 HydrophobicContact CD2-CD1 4.12Å; F27-I120 HydrophobicContact CE1-CD1 4.1Å; F27-I120 HydrophobicContact CE1-CG1 4.09Å; F27-I120 HydrophobicContact CE2-CD1 4.42Å; F27-I120 HydrophobicContact CG-CB 4Å; F27-I120 HydrophobicContact CG-CD1 3.8Å; F27-I120 HydrophobicContact CG-CG1 3.95Å; F27-I120 HydrophobicContact CZ-CD1 4.42Å; A118-I120 VanDerWaalsContact C-N 3.28Å; A118-I120 HydrophobicContact CB-CG2 3.92Å; A118-I120 PolarHBondContact O-N 3.33Å; I120-V135 HydrophobicContact CD1-CG1 3.66Å; I120-V135 HydrophobicContact CG1-CG1 3.62Å |
| 121 | F | 98.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 160.9 | -177.7 | -65.8 | -94.8 | 0 | 0 | 0 | 109.8 | L63 Q107 W109 F123 V135 V136 D138 L162 | L63-F121 HydrophobicContact CD1-CD1 4.05Å; L63-F121 HydrophobicContact CD1-CE1 3.91Å; L63-F121 HydrophobicContact CD2-CD1 4.26Å; L63-F121 HydrophobicContact CD2-CE1 4.2Å; Q107-F121 HydrophobicContact CB-CD1 4.02Å; Q107-F121 HydrophobicContact CB-CE1 4.26Å; Q107-F121 WeakPolarHBondContact O-CE1 3.28Å; W109-F121 HydrophobicContact CD2-CZ 4.36Å; W109-F121 AromaticContact CE2-CZ 3.92Å; W109-F121 HydrophobicContact CE3-CZ 4.29Å; W109-F121 HydrophobicContact CH2-CE1 4.01Å; W109-F121 HydrophobicContact CH2-CE2 4.08Å; W109-F121 AromaticContact CH2-CZ 3.39Å; W109-F121 HydrophobicContact CH2-CZ 3.39Å; W109-F121 HydrophobicContact CZ2-CE1 4.43Å; W109-F121 AromaticContact CZ2-CE2 3.92Å; W109-F121 HydrophobicContact CZ2-CE2 3.92Å; W109-F121 AromaticContact CZ2-CZ 3.43Å; W109-F121 HydrophobicContact CZ2-CZ 3.43Å; W109-F121 VanDerWaalsContact CZ2-CZ 3.43Å; W109-F121 HydrophobicContact CZ3-CE1 4.07Å; W109-F121 AromaticContact CZ3-CZ 3.83Å; W109-F121 HydrophobicContact CZ3-CZ 3.83Å; F121-F123 HydrophobicContact CB-CE2 4.09Å; F121-V135 CarbonylContact O-C 3.6Å; F121-V135 WeakPolarHBondContact O-CA 3.46Å; F121-V136 HydrophobicContact CB-CG2 4.23Å; F121-V136 PolarHBondContact N-O 2.92Å; F121-V136 PolarHBondContact O-N 2.98Å; F121-D138 HydrophobicContact CD2-CB 3.9Å; F121-D138 HydrophobicContact CE2-CB 3.6Å; F121-L162 HydrophobicContact CD1-CD1 4Å; F121-L162 HydrophobicContact CD2-CD1 3.97Å; F121-L162 HydrophobicContact CD2-CD2 4.49Å; F121-L162 HydrophobicContact CE1-CD1 4.11Å; F121-L162 HydrophobicContact CE2-CD1 4.12Å; F121-L162 HydrophobicContact CG-CD1 3.94Å; F121-L162 HydrophobicContact CZ-CD1 4.19Å |
| 122 | H | 97.9 | Very high | 95 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 145.8 | 174.2 | 74.9 | 134.1 | 0 | 0 | 0 | 112.8 | Y13 P102 Q107 E133 V134 V135 | Y13-H122 AromaticContact CD1-CD2 3.51Å; Y13-H122 AromaticContact CD1-CE1 3.79Å; Y13-H122 AromaticContact CD1-CG 3.83Å; Y13-H122 AromaticContact CD1-ND1 3.98Å; Y13-H122 AromaticContact CD1-NE2 3.51Å; Y13-H122 HydrophobicContact CD2-CB 3.89Å; Y13-H122 AromaticContact CD2-CD2 3.88Å; Y13-H122 AromaticContact CD2-CG 3.96Å; Y13-H122 AromaticContact CE1-CD2 3.54Å; Y13-H122 AromaticContact CE1-NE2 3.51Å; Y13-H122 AromaticContact CE2-CD2 3.92Å; Y13-H122 HydrophobicContact CG-CB 3.92Å; Y13-H122 AromaticContact CG-CD2 3.68Å; Y13-H122 AromaticContact CG-CG 3.63Å; Y13-H122 AromaticContact CZ-CD2 3.75Å; P102-H122 VanDerWaalsContact CG-CE1 3.47Å; P102-H122 WeakPolarHBondContact CG-CE1 3.14Å; Q107-H122 PolarHBondContact NE2-CD2 2.91Å; Q107-H122 PolarHBondContact NE2-NE2 2.82Å; Q107-H122 PolarHBondContact NE2-O 2.99Å; Q107-H122 PolarHBondContact OE1-CD2 3.07Å; Q107-H122 PolarHBondContact OE1-O 2.92Å; H122-E133 HydrophobicContact CB-CG 4.21Å; H122-E133 IonicContact CE1-OE2 3Å; H122-E133 PolarHBondContact CE1-OE2 3.38Å; H122-E133 IonicContact ND1-OE1 3.04Å; H122-E133 IonicContact ND1-OE2 3.1Å; H122-E133 PolarHBondContact ND1-OE2 2.92Å; H122-V134 VanDerWaalsContact CA-O 3.27Å; H122-V134 WeakPolarHBondContact CA-O 3.42Å; H122-V135 HydrophobicContact CB-CG2 4.25Å |
| 123 | F | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 159.9 | -178.5 | -60.8 | -87.9 | 0 | 0 | 0 | 109.7 | V100 I101 F121 F125 E133 V134 V136 L162 L163 A166 | V100-F123 CarbonylContact O-C 3.52Å; V100-F123 VanDerWaalsContact O-CA 3.27Å; V100-F123 WeakPolarHBondContact O-CA 3.42Å; I101-F123 HydrophobicContact CB-CD1 4.5Å; I101-F123 HydrophobicContact CD1-CE1 4.11Å; I101-F123 HydrophobicContact CG1-CD1 3.9Å; I101-F123 HydrophobicContact CG1-CE1 3.94Å; I101-F123 HydrophobicContact CG2-CD1 4.34Å; I101-F123 HydrophobicContact CG2-CE1 4.09Å; F121-F123 HydrophobicContact CB-CE2 4.09Å; F123-F125 HydrophobicContact CB-CE2 3.77Å; F123-F125 HydrophobicContact CB-CZ 3.98Å; F123-E133 CarbonylContact O-C 3.56Å; F123-E133 WeakPolarHBondContact O-CA 3.38Å; F123-V134 PolarHBondContact N-O 3.29Å; F123-V134 PolarHBondContact O-N 3Å; F123-V136 HydrophobicContact CD2-CG2 4.16Å; F123-V136 HydrophobicContact CE2-CG2 3.85Å; F123-L162 HydrophobicContact CE2-CB 3.91Å; F123-L162 WeakPolarHBondContact CE2-O 3.45Å; F123-L162 HydrophobicContact CZ-CB 3.59Å; F123-L163 HydrophobicContact CB-CD1 4.4Å; F123-L163 HydrophobicContact CD1-CB 4.27Å; F123-L163 HydrophobicContact CD1-CD1 3.5Å; F123-L163 HydrophobicContact CE1-CB 3.95Å; F123-L163 HydrophobicContact CE1-CD1 4.04Å; F123-L163 HydrophobicContact CG-CD1 4.11Å; F123-L163 HydrophobicContact CZ-CB 4.45Å; F123-A166 HydrophobicContact CB-CB 4.03Å; F123-A166 HydrophobicContact CD2-CB 3.4Å; F123-A166 HydrophobicContact CE2-CB 4.14Å; F123-A166 HydrophobicContact CG-CB 3.91Å |
| 124 | R | 97.5 | Very high | 95.6 | Very high | 64 Ų | 64 | 31.5 Ų | 31.5 | 24% | 0.242 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 132.8 | 175.9 | -66.2 | 177.5 | 179.5 | 155.9 | 8.7 | 110.8 | V5 K99 V100 P102 W131 T132 E133 | V5-R124 HydrophobicContact CG1-CG 4.49Å; K99-R124 WeakPolarHBondContact O-CB 3.48Å; V100-R124 WeakPolarHBondContact CA-O 3.47Å; V100-R124 PolarHBondContact O-N 2.87Å; P102-R124 HydrophobicContact CG-CG 4.03Å; R124-W131 HydrophobicContact CB-CE3 3.96Å; R124-W131 HydrophobicContact CB-CZ3 4.35Å; R124-T132 CarbonylContact C-O 3.59Å; R124-T132 VanDerWaalsContact CA-O 3.27Å; R124-T132 WeakPolarHBondContact CA-O 3.48Å; R124-E133 HydrophobicContact CG-CB 4.29Å; R124-E133 IonicContact CZ-OE2 3.47Å; R124-E133 IonicContact NE-OE2 3.25Å; R124-E133 PolarHBondContact NE-OE2 3.45Å; R124-E133 IonicContact NH2-OE2 3.17Å; R124-E133 PolarHBondContact NH2-OE2 2.88Å |
| 125 | F | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 140.3 | 175.4 | -54.6 | -83.9 | 0 | 0 | 0 | 109.4 | V100 F123 C127 W131 T132 V134 L163 A166 Y167 L170 D188 F189 | V100-F125 HydrophobicContact CG1-CE1 4.42Å; F123-F125 HydrophobicContact CB-CE2 3.77Å; F123-F125 HydrophobicContact CB-CZ 3.98Å; F125-C127 PolarHBondContact O-N 3.29Å; F125-W131 CarbonylContact O-C 3.53Å; F125-T132 PolarHBondContact N-O 3.34Å; F125-T132 PolarHBondContact O-N 2.81Å; F125-V134 HydrophobicContact CD2-CB 4.38Å; F125-V134 HydrophobicContact CD2-CG2 3.76Å; F125-V134 HydrophobicContact CE2-CB 4.2Å; F125-V134 HydrophobicContact CE2-CG2 4.03Å; F125-L163 HydrophobicContact CE1-CD1 3.76Å; F125-L163 HydrophobicContact CZ-CD1 3.73Å; F125-A166 HydrophobicContact CE2-CB 3.88Å; F125-A166 HydrophobicContact CZ-CB 4.02Å; F125-Y167 AromaticContact CD1-CD2 3.74Å; F125-Y167 HydrophobicContact CD1-CD2 3.74Å; F125-Y167 HydrophobicContact CD1-CE2 4.16Å; F125-Y167 AromaticContact CE1-CD2 3.61Å; F125-Y167 HydrophobicContact CE1-CD2 3.61Å; F125-Y167 HydrophobicContact CE1-CE2 4.41Å; F125-Y167 HydrophobicContact CE1-CG 4.34Å; F125-Y167 HydrophobicContact CG-CD2 4.34Å; F125-Y167 HydrophobicContact CZ-CD2 4.07Å; F125-L170 HydrophobicContact CB-CD1 3.77Å; F125-L170 HydrophobicContact CD1-CD1 4.49Å; F125-L170 HydrophobicContact CD2-CD1 3.2Å; F125-L170 HydrophobicContact CD2-CG 4.29Å; F125-L170 HydrophobicContact CE2-CD1 3.81Å; F125-L170 HydrophobicContact CG-CD1 3.57Å; F125-D188 CarbonylContact C-O 3.59Å; F125-D188 WeakPolarHBondContact CA-O 3.43Å; F125-F189 AromaticContact CD1-CD1 3.93Å; F125-F189 HydrophobicContact CD1-CD1 3.93Å; F125-F189 AromaticContact CD1-CE1 3.94Å; F125-F189 HydrophobicContact CD1-CE1 3.94Å; F125-F189 HydrophobicContact CE1-CD1 4.1Å; F125-F189 AromaticContact CE1-CE1 3.76Å; F125-F189 HydrophobicContact CE1-CE1 3.76Å |
| 126 | W | 95.6 | Very high | 96.3 | Very high | 9 Ų | 9 | 22.3 Ų | 22.3 | 3% | 0.034 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 96.9 | 170.9 | -170.6 | 82.2 | 0 | 0 | 0 | 109 | G129 E130 W131 V187 D188 G191 M358 I486 | W126-G129 VanDerWaalsContact CZ2-N 3.33Å; W126-G129 VanDerWaalsContact NE1-C 3.31Å; W126-G129 PolarHBondContact NE1-O 3.49Å; W126-G129 VanDerWaalsContact NE1-O 3.15Å; W126-E130 CarbonylContact C-O 3.53Å; W126-E130 WeakPolarHBondContact CA-O 3.34Å; W126-W131 HydrophobicContact CB-CD2 4.3Å; W126-W131 HydrophobicContact CB-CE3 4.21Å; W126-W131 HydrophobicContact CB-CH2 4.34Å; W126-W131 HydrophobicContact CB-CZ2 4.39Å; W126-W131 HydrophobicContact CB-CZ3 4.24Å; W126-W131 AromaticContact CD1-NE1 3.96Å; W126-V187 HydrophobicContact CE3-CG1 3.57Å; W126-V187 HydrophobicContact CZ3-CG1 3.44Å; W126-V187 VanDerWaalsContact CZ3-CG1 3.44Å; W126-D188 PolarHBondContact N-O 3.46Å; W126-D188 WeakPolarHBondContact O-CA 2.99Å; W126-G191 VanDerWaalsContact CD2-CA 3.48Å; W126-M358 HydrophobicContact CZ2-SD 4.39Å; W126-I486 HydrophobicContact CH2-CD1 3.49Å; W126-I486 VanDerWaalsContact CH2-CD1 3.49Å; W126-I486 HydrophobicContact CZ2-CD1 4.26Å; W126-I486 HydrophobicContact CZ3-CD1 4.25Å |
| 127 | C | 94 | Very high | 96.6 | Very high | 38 Ų | 38 | 17.2 Ų | 17.2 | 26% | 0.257 | 8% | 0.082 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 110.7 | 179.1 | -60.9 | 0 | 0 | 0 | 0 | 108.9 | F125 G129 E130 | F125-C127 PolarHBondContact O-N 3.29Å; C127-G129 VanDerWaalsContact C-N 3.3Å; C127-G129 PolarHBondContact O-N 2.88Å; C127-G129 VanDerWaalsContact O-N 3.1Å; C127-E130 PolarHBondContact N-O 2.89Å; C127-E130 PolarHBondContact O-N 3.39Å |
| 128 | F | 92.7 | Very high | 96.7 | Very high | 34 Ų | 34 | 15.4 Ų | 15.4 | 15% | 0.149 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 41.1 | 164.6 | -162.1 | -113.8 | 0 | 0 | 0 | 115.3 | Q406 E408 K484 F485 I486 | F128-Q406 HydrophobicContact CD2-CG 4.4Å; F128-Q406 WeakPolarHBondContact CE2-O 3.19Å; F128-E408 HydrophobicContact CD1-CG 3.89Å; F128-E408 HydrophobicContact CD2-CG 4.13Å; F128-E408 HydrophobicContact CE1-CG 3.54Å; F128-E408 HydrophobicContact CE2-CB 4.36Å; F128-E408 HydrophobicContact CE2-CG 3.82Å; F128-E408 VanDerWaalsContact CE2-N 3.28Å; F128-E408 HydrophobicContact CG-CG 4.15Å; F128-E408 HydrophobicContact CZ-CB 4.43Å; F128-E408 HydrophobicContact CZ-CG 3.46Å; F128-E408 VanDerWaalsContact CZ-CG 3.46Å; F128-K484 HydrophobicContact CE1-CB 4.1Å; F128-K484 HydrophobicContact CZ-CB 4.03Å; F128-F485 VanDerWaalsContact CZ-CA 3.41Å; F128-I486 HydrophobicContact CD1-CG2 3.88Å; F128-I486 HydrophobicContact CD2-CD1 4.33Å; F128-I486 HydrophobicContact CD2-CG1 4.2Å; F128-I486 HydrophobicContact CD2-CG2 4.08Å; F128-I486 HydrophobicContact CE1-CG2 3.7Å; F128-I486 HydrophobicContact CE2-CB 4.37Å; F128-I486 HydrophobicContact CE2-CG1 4.1Å; F128-I486 HydrophobicContact CE2-CG2 3.88Å; F128-I486 HydrophobicContact CG-CG2 4.09Å; F128-I486 HydrophobicContact CZ-CG2 3.72Å; F128-I486 WeakPolarHBondContact O-CG2 3.43Å |
| 129 | G | 92.5 | Very high | 96.8 | Very high | 12 Ų | 12 | 16.3 Ų | 16.3 | 12% | 0.124 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 113.9 | -25.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | W126 C127 | W126-G129 VanDerWaalsContact CZ2-N 3.33Å; W126-G129 VanDerWaalsContact NE1-C 3.31Å; W126-G129 PolarHBondContact NE1-O 3.49Å; W126-G129 VanDerWaalsContact NE1-O 3.15Å; C127-G129 VanDerWaalsContact C-N 3.3Å; C127-G129 PolarHBondContact O-N 2.88Å; C127-G129 VanDerWaalsContact O-N 3.1Å |
| 130 | E | 93.5 | Very high | 96.9 | Very high | 74 Ų | 74 | 16.4 Ų | 16.4 | 35% | 0.346 | 8% | 0.079 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 144.7 | -163.9 | -62.5 | -178.4 | 126.1 | 0 | 0 | 111.5 | Q6 W126 C127 | Q6-E130 VanDerWaalsContact CD-OE2 3.28Å; Q6-E130 VanDerWaalsContact NE2-CD 3.32Å; Q6-E130 PolarHBondContact NE2-OE2 2.86Å; W126-E130 CarbonylContact C-O 3.53Å; W126-E130 WeakPolarHBondContact CA-O 3.34Å; C127-E130 PolarHBondContact N-O 2.89Å; C127-E130 PolarHBondContact O-N 3.39Å |
| 131 | W | 95.3 | Very high | 96.8 | Very high | 47 Ų | 47 | 16.3 Ų | 16.3 | 18% | 0.178 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 127.1 | 172.6 | -75.1 | 100.3 | 0 | 0 | 0 | 109.2 | V5 Q6 K99 R124 F125 W126 F189 | V5-W131 CarbonylContact C-O 3.52Å; V5-W131 WeakPolarHBondContact CA-O 3.44Å; V5-W131 HydrophobicContact CG1-CB 4.45Å; V5-W131 HydrophobicContact CG2-CB 4.32Å; Q6-W131 PolarHBondContact N-O 2.91Å; K99-W131 HydrophobicContact CB-CH2 4.01Å; K99-W131 HydrophobicContact CB-CZ2 4.37Å; K99-W131 HydrophobicContact CB-CZ3 4.49Å; K99-W131 HydrophobicContact CD-CZ2 4.21Å; R124-W131 HydrophobicContact CB-CE3 3.96Å; R124-W131 HydrophobicContact CB-CZ3 4.35Å; F125-W131 CarbonylContact O-C 3.53Å; W126-W131 HydrophobicContact CB-CD2 4.3Å; W126-W131 HydrophobicContact CB-CE3 4.21Å; W126-W131 HydrophobicContact CB-CH2 4.34Å; W126-W131 HydrophobicContact CB-CZ2 4.39Å; W126-W131 HydrophobicContact CB-CZ3 4.24Å; W126-W131 AromaticContact CD1-NE1 3.96Å; W131-F189 WeakPolarHBondContact CH2-O 3.42Å |
| 132 | T | 96.6 | Very high | 96.8 | Very high | 9 Ų | 9 | 16.2 Ų | 16.2 | 6% | 0.055 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 123.7 | -179.6 | -57.5 | 0 | 0 | 0 | 0 | 109.2 | Q6 F8 R124 F125 | Q6-T132 CarbonylContact O-C 3.59Å; Q6-T132 VanDerWaalsContact O-CA 3.31Å; Q6-T132 WeakPolarHBondContact O-CA 3.34Å; F8-T132 HydrophobicContact CB-CG2 3.88Å; R124-T132 CarbonylContact C-O 3.59Å; R124-T132 VanDerWaalsContact CA-O 3.27Å; R124-T132 WeakPolarHBondContact CA-O 3.48Å; F125-T132 PolarHBondContact N-O 3.34Å; F125-T132 PolarHBondContact O-N 2.81Å |
| 133 | E | 97.7 | Very high | 96.6 | Very high | 21 Ų | 21 | 17.2 Ų | 17.2 | 10% | 0.098 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 131.8 | 174 | -175.5 | 166.2 | 99.5 | 0 | 0 | 110.5 | V5 Q6 L7 F8 H122 F123 R124 | V5-E133 HydrophobicContact CG1-CB 3.71Å; Q6-E133 PolarHBondContact O-N 2.88Å; L7-E133 HydrophobicContact CD2-CB 4.24Å; F8-E133 WeakPolarHBondContact CB-O 3.31Å; F8-E133 PolarHBondContact N-O 2.72Å; H122-E133 HydrophobicContact CB-CG 4.21Å; H122-E133 IonicContact CE1-OE2 3Å; H122-E133 PolarHBondContact CE1-OE2 3.38Å; H122-E133 IonicContact ND1-OE1 3.04Å; H122-E133 IonicContact ND1-OE2 3.1Å; H122-E133 PolarHBondContact ND1-OE2 2.92Å; F123-E133 CarbonylContact O-C 3.56Å; F123-E133 WeakPolarHBondContact O-CA 3.38Å; R124-E133 HydrophobicContact CG-CB 4.29Å; R124-E133 IonicContact CZ-OE2 3.47Å; R124-E133 IonicContact NE-OE2 3.25Å; R124-E133 PolarHBondContact NE-OE2 3.45Å; R124-E133 IonicContact NH2-OE2 3.17Å; R124-E133 PolarHBondContact NH2-OE2 2.88Å |
| 134 | V | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 116.6 | -177.1 | -175.3 | 0 | 0 | 0 | 0 | 108 | F8 H122 F123 F125 V136 A166 K169 L170 | F8-V134 HydrophobicContact CB-CG2 4Å; F8-V134 HydrophobicContact CD1-CG1 4.32Å; F8-V134 HydrophobicContact CG-CG2 4.37Å; H122-V134 VanDerWaalsContact CA-O 3.27Å; H122-V134 WeakPolarHBondContact CA-O 3.42Å; F123-V134 PolarHBondContact N-O 3.29Å; F123-V134 PolarHBondContact O-N 3Å; F125-V134 HydrophobicContact CD2-CB 4.38Å; F125-V134 HydrophobicContact CD2-CG2 3.76Å; F125-V134 HydrophobicContact CE2-CB 4.2Å; F125-V134 HydrophobicContact CE2-CG2 4.03Å; V134-V136 HydrophobicContact CG1-CG1 4.47Å; V134-A166 HydrophobicContact CB-CB 4.47Å; V134-A166 HydrophobicContact CG1-CB 4.11Å; V134-K169 HydrophobicContact CG1-CB 4.5Å; V134-K169 HydrophobicContact CG1-CD 3.92Å; V134-K169 HydrophobicContact CG1-CG 4.29Å; V134-L170 HydrophobicContact CG1-CG 4.46Å; V134-L170 HydrophobicContact CG2-CD1 3.79Å; V134-L170 HydrophobicContact CG2-CD2 3.48Å; V134-L170 VanDerWaalsContact CG2-CD2 3.48Å; V134-L170 HydrophobicContact CG2-CG 3.57Å |
| 135 | V | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 140.2 | 176.1 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | Q11 L16 F27 I120 F121 H122 K169 | Q11-V135 HydrophobicContact CB-CB 4.28Å; Q11-V135 HydrophobicContact CB-CG2 4.11Å; L16-V135 HydrophobicContact CD1-CG1 4.28Å; F27-V135 HydrophobicContact CE1-CG1 3.89Å; F27-V135 HydrophobicContact CZ-CG1 4.27Å; I120-V135 HydrophobicContact CD1-CG1 3.66Å; I120-V135 HydrophobicContact CG1-CG1 3.62Å; F121-V135 CarbonylContact O-C 3.6Å; F121-V135 WeakPolarHBondContact O-CA 3.46Å; H122-V135 HydrophobicContact CB-CG2 4.25Å; V135-K169 PolarHBondContact O-NZ 2.83Å |
| 136 | V | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 151.4 | 172.9 | -67.8 | 0 | 0 | 0 | 0 | 110.2 | F121 F123 V134 K165 A166 K169 | F121-V136 HydrophobicContact CB-CG2 4.23Å; F121-V136 PolarHBondContact N-O 2.92Å; F121-V136 PolarHBondContact O-N 2.98Å; F123-V136 HydrophobicContact CD2-CG2 4.16Å; F123-V136 HydrophobicContact CE2-CG2 3.85Å; V134-V136 HydrophobicContact CG1-CG1 4.47Å; V136-K165 HydrophobicContact CB-CD 4.37Å; V136-K165 HydrophobicContact CG1-CG 4.36Å; V136-A166 HydrophobicContact CG1-CB 3.86Å; V136-A166 HydrophobicContact CG2-CB 4.35Å; V136-K169 HydrophobicContact CG1-CD 3.95Å |
| 137 | D | 98.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.011 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 170.4 | 160.3 | 70.6 | 52.6 | 0 | 0 | 0 | 111.5 | F27 D29 G119 L139 K165 | F27-D137 HydrophobicContact CB-CB 4.49Å; F27-D137 HydrophobicContact CD1-CB 3.68Å; F27-D137 HydrophobicContact CE1-CB 4.36Å; F27-D137 HydrophobicContact CG-CB 4.44Å; F27-D137 WeakPolarHBondContact O-CB 3.42Å; D29-D137 HydrophobicContact CB-CB 4.39Å; D29-D137 VanDerWaalsContact CB-OD2 3.29Å; D29-D137 WeakPolarHBondContact CB-OD2 3.48Å; D29-D137 PolarHBondContact N-OD2 3.29Å; G119-D137 WeakPolarHBondContact O-CA 3.29Å; G119-D137 WeakPolarHBondContact O-CB 3.31Å; D137-L139 VanDerWaalsContact OD1-CB 3.23Å; D137-L139 WeakPolarHBondContact OD1-CB 3.47Å; D137-L139 PolarHBondContact OD1-N 3.38Å; D137-K165 PolarHBondContact O-NZ 2.9Å; D137-K165 IonicContact OD1-NZ 3.34Å; D137-K165 PolarHBondContact OD1-NZ 3.2Å |
| 138 | D | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -95.4 | 18.1 | 179.1 | 67.3 | -2.9 | 0 | 0 | 0 | 115.9 | R53 P54 Y117 G119 F121 L140 L162 | R53-D138 WeakPolarHBondContact CA-O 3.23Å; R53-D138 VanDerWaalsContact CD-OD1 3.26Å; R53-D138 WeakPolarHBondContact CD-OD1 3.48Å; R53-D138 WeakPolarHBondContact CG-OD1 3.4Å; R53-D138 IonicContact CZ-OD1 2.82Å; R53-D138 IonicContact NE-OD1 2.8Å; R53-D138 IonicContact NH1-OD1 2.94Å; R53-D138 PolarHBondContact NH1-OD1 2.83Å; P54-D138 WeakPolarHBondContact CD-O 3.36Å; P54-D138 HydrophobicContact CG-CB 4.34Å; Y117-D138 VanDerWaalsContact CE2-OD2 3.3Å; Y117-D138 WeakPolarHBondContact CE2-OD2 3.48Å; Y117-D138 VanDerWaalsContact CZ-OD2 3.32Å; Y117-D138 PolarHBondContact OH-OD1 3.48Å; Y117-D138 PolarHBondContact OH-OD2 3.27Å; G119-D138 PolarHBondContact O-N 2.79Å; F121-D138 HydrophobicContact CD2-CB 3.9Å; F121-D138 HydrophobicContact CE2-CB 3.6Å; D138-L140 PolarHBondContact O-N 2.78Å; D138-L162 HydrophobicContact CB-CD2 3.85Å |
| 139 | L | 98.4 | Very high | 96 | Very high | 22 Ų | 22 | 28 Ų | 28 | 12% | 0.115 | 15% | 0.146 | C | C | . | . | trans | -69.1 | 119.5 | 168 | -69.6 | 161.4 | 0 | 0 | 0 | 109.6 | A34 W51 R53 D137 K165 | A34-L139 HydrophobicContact CB-CD1 3.96Å; W51-L139 HydrophobicContact CB-CB 4.31Å; W51-L139 HydrophobicContact CB-CD2 4.39Å; W51-L139 HydrophobicContact CE3-CB 3.95Å; W51-L139 VanDerWaalsContact CE3-O 3.26Å; W51-L139 WeakPolarHBondContact CZ3-O 3.15Å; R53-L139 HydrophobicContact CG-CD2 3.6Å; R53-L139 HydrophobicContact CG-CG 4.06Å; D137-L139 VanDerWaalsContact OD1-CB 3.23Å; D137-L139 WeakPolarHBondContact OD1-CB 3.47Å; D137-L139 PolarHBondContact OD1-N 3.38Å; L139-K165 WeakPolarHBondContact O-CE 3.28Å; L139-K165 PolarHBondContact O-NZ 2.88Å | ||
| 140 | L | 98.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 140.9 | -178.2 | -67.7 | 170.5 | 0 | 0 | 0 | 111.3 | W51 K52 P54 D138 T142 L147 F158 A161 L162 K165 | W51-L140 WeakPolarHBondContact CA-O 3.35Å; K52-L140 PolarHBondContact N-O 2.86Å; K52-L140 PolarHBondContact O-N 2.86Å; P54-L140 HydrophobicContact CG-CD1 4.34Å; D138-L140 PolarHBondContact O-N 2.78Å; L140-T142 PolarHBondContact O-N 2.81Å; L140-L147 HydrophobicContact CB-CD2 3.51Å; L140-L147 HydrophobicContact CD1-CD2 3.79Å; L140-L147 HydrophobicContact CG-CD2 4.24Å; L140-F158 HydrophobicContact CD1-CD1 3.78Å; L140-F158 HydrophobicContact CD1-CE1 4.41Å; L140-A161 HydrophobicContact CD1-CB 3.81Å; L140-A161 HydrophobicContact CD2-CB 3.93Å; L140-L162 HydrophobicContact CD2-CD2 4.07Å; L140-L162 HydrophobicContact CG-CD2 4.45Å; L140-K165 HydrophobicContact CD2-CD 4.38Å |
| 141 | P | 97.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.019 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 126.7 | 176.2 | -25.1 | 37.5 | 0 | 0 | 0 | 112.4 | L39 V49 W51 I148 Y149 Y174 | L39-P141 HydrophobicContact CD2-CB 3.87Å; L39-P141 HydrophobicContact CD2-CG 3.61Å; V49-P141 HydrophobicContact CG1-CB 3.81Å; W51-P141 HydrophobicContact CD2-CG 4.36Å; W51-P141 HydrophobicContact CE3-CG 4.02Å; W51-P141 HydrophobicContact CH2-CG 3.79Å; W51-P141 HydrophobicContact CZ2-CG 4.12Å; W51-P141 HydrophobicContact CZ3-CG 3.73Å; P141-I148 HydrophobicContact CB-CD1 3.9Å; P141-I148 HydrophobicContact CB-CG1 3.95Å; P141-I148 PolarHBondContact O-N 2.83Å; P141-Y149 HydrophobicContact CB-CD2 3.84Å; P141-Y149 HydrophobicContact CB-CE2 3.68Å; P141-Y149 HydrophobicContact CG-CD2 3.83Å; P141-Y149 HydrophobicContact CG-CE2 3.7Å; P141-Y174 HydrophobicContact CG-CD2 4.42Å; P141-Y174 HydrophobicContact CG-CE2 3.77Å |
| 142 | T | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 153.2 | 178.5 | 69.7 | 0 | 0 | 0 | 0 | 113.2 | V49 E50 K52 L57 L140 K146 L147 | V49-T142 WeakPolarHBondContact CA-O 3.45Å; E50-T142 PolarHBondContact N-O 3.43Å; E50-T142 WeakPolarHBondContact O-CA 3.46Å; E50-T142 WeakPolarHBondContact O-CB 3.5Å; E50-T142 PolarHBondContact O-N 3.04Å; E50-T142 PolarHBondContact O-OG1 3.46Å; K52-T142 HydrophobicContact CB-CG2 4.23Å; L57-T142 HydrophobicContact CD1-CG2 4.1Å; L57-T142 HydrophobicContact CD2-CG2 4.03Å; L140-T142 PolarHBondContact O-N 2.81Å; T142-K146 CarbonylContact C-O 3.53Å; T142-K146 WeakPolarHBondContact CA-O 3.17Å; T142-K146 VanDerWaalsContact CB-O 3.26Å; T142-K146 WeakPolarHBondContact CB-O 3.07Å; T142-L147 HydrophobicContact CG2-CD2 4.09Å |
| 143 | M | 95.1 | Very high | 95.4 | Very high | 24 Ų | 24 | 29.7 Ų | 29.7 | 12% | 0.118 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129.8 | 165.2 | -75 | -176.5 | -69.7 | 0 | 0 | 107.8 | P46 R47 V49 I77 G145 K146 I148 | P46-M143 HydrophobicContact CG-CE 4.4Å; P46-M143 HydrophobicContact CG-SD 4.36Å; R47-M143 HydrophobicContact CB-CG 4.4Å; R47-M143 HydrophobicContact CB-SD 3.72Å; R47-M143 HydrophobicContact CG-SD 4.44Å; V49-M143 HydrophobicContact CG2-CG 4.28Å; I77-M143 HydrophobicContact CD1-CE 3.75Å; M143-G145 PolarHBondContact O-N 3.18Å; M143-K146 PolarHBondContact N-O 3.07Å; M143-K146 PolarHBondContact O-N 2.92Å; M143-I148 HydrophobicContact CB-CG2 3.66Å; M143-I148 HydrophobicContact CE-CB 3.85Å; M143-I148 HydrophobicContact CE-CD1 4.14Å; M143-I148 HydrophobicContact CE-CG2 3.35Å; M143-I148 HydrophobicContact CG-CG2 3.75Å; M143-I148 HydrophobicContact SD-CG2 4.37Å |
| 144 | D | 91.9 | Very high | 95 | Very high | 118 Ų | 118 | 31.2 Ų | 31.2 | 63% | 0.631 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 37.2 | -179 | -54.3 | -44.9 | 0 | 0 | 0 | 113 | R47 K146 | R47-D144 IonicContact CZ-OD2 3.67Å; R47-D144 IonicContact NH1-OD2 3.84Å; R47-D144 PolarHBondContact NH1-OD2 2.87Å; D144-K146 VanDerWaalsContact C-N 3.29Å; D144-K146 PolarHBondContact O-N 2.82Å |
| 145 | G | 91.1 | Very high | 94.7 | Very high | 37 Ų | 37 | 40.1 Ų | 40.1 | 38% | 0.381 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 13.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | M143 | M143-G145 PolarHBondContact O-N 3.18Š|
| 146 | K | 93.9 | Very high | 94.5 | Very high | 157 Ų | 157 | 42 Ų | 42 | 68% | 0.683 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 140.7 | 177.4 | -62.4 | -179.9 | -177.6 | 178.1 | 0 | 111.2 | T142 M143 D144 | T142-K146 CarbonylContact C-O 3.53Å; T142-K146 WeakPolarHBondContact CA-O 3.17Å; T142-K146 VanDerWaalsContact CB-O 3.26Å; T142-K146 WeakPolarHBondContact CB-O 3.07Å; M143-K146 PolarHBondContact N-O 3.07Å; M143-K146 PolarHBondContact O-N 2.92Å; D144-K146 VanDerWaalsContact C-N 3.29Å; D144-K146 PolarHBondContact O-N 2.82Å |
| 147 | L | 95.7 | Very high | 94.3 | Very high | 38 Ų | 38 | 42.2 Ų | 42.2 | 20% | 0.199 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 137.5 | 171.2 | -66.2 | 172.8 | 0 | 0 | 0 | 109.9 | L57 L140 T142 H151 F158 A161 | L57-L147 HydrophobicContact CD1-CD2 4.01Å; L57-L147 HydrophobicContact CD1-CG 4.35Å; L140-L147 HydrophobicContact CB-CD2 3.51Å; L140-L147 HydrophobicContact CD1-CD2 3.79Å; L140-L147 HydrophobicContact CG-CD2 4.24Å; T142-L147 HydrophobicContact CG2-CD2 4.09Å; L147-H151 HydrophobicContact CB-CB 4.13Å; L147-H151 HydrophobicContact CD1-CB 3.72Å; L147-F158 HydrophobicContact CD1-CD1 4.32Å; L147-F158 HydrophobicContact CD1-CE1 4.18Å; L147-A161 HydrophobicContact CD1-CB 4.31Å |
| 148 | I | 94.5 | Very high | 94.2 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | trans | -105.9 | -16.4 | -175.4 | 67.6 | 177.7 | 0 | 0 | 0 | 112.9 | V49 G76 I77 P141 M143 | V49-I148 HydrophobicContact CG1-CD1 4.29Å; V49-I148 HydrophobicContact CG2-CD1 3.81Å; G76-I148 CarbonylContact C-O 3.52Å; G76-I148 VanDerWaalsContact CA-O 3.28Å; G76-I148 WeakPolarHBondContact CA-O 2.92Å; I77-I148 HydrophobicContact CD1-CB 4.18Å; I77-I148 HydrophobicContact CD1-CD1 4.2Å; I77-I148 HydrophobicContact CD1-CG1 4.44Å; I77-I148 HydrophobicContact CG1-CB 4.45Å; I77-I148 WeakPolarHBondContact CG1-O 3.34Å; I77-I148 PolarHBondContact N-O 3.27Å; P141-I148 HydrophobicContact CB-CD1 3.9Å; P141-I148 HydrophobicContact CB-CG1 3.95Å; P141-I148 PolarHBondContact O-N 2.83Å; M143-I148 HydrophobicContact CB-CG2 3.66Å; M143-I148 HydrophobicContact CE-CB 3.85Å; M143-I148 HydrophobicContact CE-CD1 4.14Å; M143-I148 HydrophobicContact CE-CG2 3.35Å; M143-I148 HydrophobicContact CG-CG2 3.75Å; M143-I148 HydrophobicContact SD-CG2 4.37Å | ||
| 149 | Y | 94.8 | Very high | 94.1 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 6% | 0.055 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -107.5 | -151.8 | 176.2 | -57.1 | -61.8 | 0 | 0 | 0 | 110.7 | L39 G76 I77 L78 P141 H151 E164 Y174 | L39-Y149 HydrophobicContact CD2-CE2 3.85Å; G76-Y149 WeakPolarHBondContact CA-O 3.25Å; I77-Y149 HydrophobicContact CG1-CD1 4.38Å; I77-Y149 HydrophobicContact CG1-CE1 4.21Å; L78-Y149 HydrophobicContact CB-CD1 3.85Å; L78-Y149 HydrophobicContact CB-CE1 3.98Å; L78-Y149 HydrophobicContact CD2-CD1 4.38Å; L78-Y149 HydrophobicContact CD2-CE1 4.34Å; P141-Y149 HydrophobicContact CB-CD2 3.84Å; P141-Y149 HydrophobicContact CB-CE2 3.68Å; P141-Y149 HydrophobicContact CG-CD2 3.83Å; P141-Y149 HydrophobicContact CG-CE2 3.7Å; Y149-H151 PolarHBondContact O-N 3.03Å; Y149-H151 PolarHBondContact O-ND1 3.12Å; Y149-E164 WeakPolarHBondContact CB-OE2 3.48Å; Y149-Y174 HydrophobicContact CD1-CD1 4.11Å; Y149-Y174 AromaticContact CD2-CD1 3.39Å; Y149-Y174 HydrophobicContact CD2-CD1 3.39Å; Y149-Y174 HydrophobicContact CD2-CD2 4.32Å; Y149-Y174 AromaticContact CD2-CE1 3.35Å; Y149-Y174 HydrophobicContact CD2-CE1 3.35Å; Y149-Y174 HydrophobicContact CD2-CE2 4.29Å; Y149-Y174 AromaticContact CD2-CG 3.9Å; Y149-Y174 HydrophobicContact CD2-CG 3.9Å; Y149-Y174 AromaticContact CD2-CZ 3.82Å; Y149-Y174 HydrophobicContact CE1-CD1 4.21Å; Y149-Y174 HydrophobicContact CE1-CG 4.41Å; Y149-Y174 AromaticContact CE2-CD1 3.5Å; Y149-Y174 HydrophobicContact CE2-CD1 3.5Å; Y149-Y174 VanDerWaalsContact CE2-CD1 3.5Å; Y149-Y174 AromaticContact CE2-CD2 3.84Å; Y149-Y174 HydrophobicContact CE2-CD2 3.84Å; Y149-Y174 AromaticContact CE2-CE1 3.85Å; Y149-Y174 HydrophobicContact CE2-CE1 3.85Å; Y149-Y174 HydrophobicContact CE2-CE2 4.16Å; Y149-Y174 AromaticContact CE2-CG 3.48Å; Y149-Y174 HydrophobicContact CE2-CG 3.48Å; Y149-Y174 VanDerWaalsContact CE2-CG 3.48Å; Y149-Y174 AromaticContact CG-CD1 3.72Å; Y149-Y174 HydrophobicContact CG-CD1 3.72Å; Y149-Y174 AromaticContact CG-CE1 3.8Å; Y149-Y174 HydrophobicContact CG-CE1 3.8Å; Y149-Y174 AromaticContact CZ-CD1 3.91Å; Y149-Y174 AromaticContact CZ-CG 3.77Å |
| 150 | C | 93.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.007 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -60.4 | 134.2 | -176.2 | -167.9 | 0 | 0 | 0 | 0 | 111.9 | H74 A161 E164 | H74-C150 VanDerWaalsContact O-CA 3.28Å; H74-C150 WeakPolarHBondContact O-CA 3.46Å; H74-C150 PolarHBondContact O-SG 3.13Å; C150-A161 WeakPolarHBondContact O-CA 3.39Å; C150-A161 VanDerWaalsContact O-CB 3.29Å; C150-A161 WeakPolarHBondContact O-CB 3.46Å; C150-E164 WeakPolarHBondContact CA-OE2 3.4Å; C150-E164 HydrophobicContact CB-CB 4.13Å; C150-E164 HydrophobicContact CB-CG 4.28Å; C150-E164 WeakPolarHBondContact CB-OE1 3.24Å; C150-E164 WeakPolarHBondContact CB-OE2 3.4Å; C150-E164 PolarHBondContact N-OE1 3.05Å; C150-E164 PolarHBondContact N-OE2 2.96Å |
| 151 | H | 92.6 | Very high | 93.8 | Very high | 56 Ų | 56 | 41.5 Ų | 41.5 | 26% | 0.259 | 21% | 0.213 | S | C | . | . | B | Isolated β-bridge | trans | -154.2 | 161.4 | -178.4 | 59.8 | -79.3 | 0 | 0 | 0 | 112.4 | D72 H74 L147 Y149 | D72-H151 CarbonylContact O-C 3.5Å; H74-H151 WeakPolarHBondContact CB-O 3.46Å; H74-H151 PolarHBondContact N-O 2.72Å; H74-H151 PolarHBondContact ND1-O 2.62Å; H74-H151 PolarHBondContact O-N 3Å; L147-H151 HydrophobicContact CB-CB 4.13Å; L147-H151 HydrophobicContact CD1-CB 3.72Å; Y149-H151 PolarHBondContact O-N 3.03Å; Y149-H151 PolarHBondContact O-ND1 3.12Å |
| 152 | S | 91.6 | Very high | 93.8 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | trans | -84.5 | 153.6 | 171.9 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | D72 V154 E157 | D72-S152 WeakPolarHBondContact O-CA 3.37Å; D72-S152 PolarHBondContact O-N 2.93Å; S152-V154 PolarHBondContact OG-N 2.79Å; S152-E157 VanDerWaalsContact CB-OE2 3.29Å; S152-E157 WeakPolarHBondContact CB-OE2 3.34Å; S152-E157 PolarHBondContact OG-OE2 2.84Å | ||
| 153 | N | 86.1 | Confident | 93.8 | Very high | 112 Ų | 112 | 41.4 Ų | 41.4 | 60% | 0.599 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -70.4 | -22.5 | 165.8 | -80.9 | -15.5 | 0 | 0 | 0 | 111.5 | H74 K155 | H74-N153 PolarHBondContact CE1-ND2 2.8Å; H74-N153 PolarHBondContact CE1-OD1 3.26Å; H74-N153 VanDerWaalsContact CE1-OD1 3.22Å; H74-N153 PolarHBondContact ND1-OD1 2.82Å; H74-N153 PolarHBondContact NE2-ND2 3.01Å; H74-N153 PolarHBondContact NE2-OD1 2.87Å; N153-K155 PolarHBondContact O-N 2.77Å |
| 154 | V | 90.6 | Very high | 94 | Very high | 52 Ų | 52 | 40.3 Ų | 40.3 | 32% | 0.315 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -78 | 109.4 | 172.3 | -177.9 | 0 | 0 | 0 | 0 | 107.9 | V65 S152 N156 E157 | V65-V154 HydrophobicContact CB-CG1 4Å; V65-V154 HydrophobicContact CG1-CG1 4.01Å; V65-V154 HydrophobicContact CG2-CG1 3.95Å; S152-V154 PolarHBondContact OG-N 2.79Å; V154-N156 WeakPolarHBondContact CG1-OD1 3.45Å; V154-N156 PolarHBondContact O-N 2.87Å; V154-E157 HydrophobicContact CB-CB 4.03Å; V154-E157 HydrophobicContact CG1-CB 4.12Å; V154-E157 PolarHBondContact O-N 2.86Å; V154-E157 VanDerWaalsContact O-N 3.08Å |
| 155 | K | 90.8 | Very high | 94.3 | Very high | 187 Ų | 187 | 34.7 Ų | 34.7 | 81% | 0.813 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -22.5 | -168.8 | -65.6 | -174.5 | 179.3 | 177.9 | 0 | 115.1 | N153 | N153-K155 PolarHBondContact O-N 2.77Š|
| 156 | N | 94.6 | Very high | 94.6 | Very high | 41 Ų | 41 | 33 Ų | 33 | 22% | 0.219 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 16.3 | -177.1 | 70.1 | -37.7 | 0 | 0 | 0 | 113.6 | C58 D60 H62 V154 F158 | C58-N156 HydrophobicContact CB-CB 4.36Å; D60-N156 VanDerWaalsContact O-CB 3.25Å; D60-N156 WeakPolarHBondContact O-CB 3.33Å; D60-N156 PolarHBondContact O-ND2 2.96Å; H62-N156 PolarHBondContact CD2-ND2 3.39Å; H62-N156 PolarHBondContact N-O 3.38Å; V154-N156 WeakPolarHBondContact CG1-OD1 3.45Å; V154-N156 PolarHBondContact O-N 2.87Å; N156-F158 VanDerWaalsContact C-CE2 3.44Å; N156-F158 WeakPolarHBondContact O-CD2 3.41Å; N156-F158 WeakPolarHBondContact O-CE2 3.36Å |
| 157 | E | 95.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.019 | 13% | 0.127 | C | C | . | . | B | Isolated β-bridge | trans | -110 | 130.2 | 177.6 | -175.6 | 177.5 | -129.3 | 0 | 0 | 111.9 | H62 V65 D72 S152 V154 | H62-E157 WeakPolarHBondContact O-CA 3.29Å; V65-E157 HydrophobicContact CB-CB 4.36Å; V65-E157 HydrophobicContact CG2-CB 3.86Å; V65-E157 HydrophobicContact CG2-CG 4.31Å; V65-E157 PolarHBondContact N-OE1 2.94Å; D72-E157 VanDerWaalsContact CB-OE2 3.26Å; D72-E157 WeakPolarHBondContact CB-OE2 3.49Å; S152-E157 VanDerWaalsContact CB-OE2 3.29Å; S152-E157 WeakPolarHBondContact CB-OE2 3.34Å; S152-E157 PolarHBondContact OG-OE2 2.84Å; V154-E157 HydrophobicContact CB-CB 4.03Å; V154-E157 HydrophobicContact CG1-CB 4.12Å; V154-E157 PolarHBondContact O-N 2.86Å; V154-E157 VanDerWaalsContact O-N 3.08Å |
| 158 | F | 96.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.018 | 12% | 0.117 | C | C | . | . | trans | -128.8 | 0.2 | -166.8 | -65 | -86.4 | 0 | 0 | 0 | 116.6 | P54 L57 C58 P61 H62 W109 L140 L147 N156 S160 A161 L162 | P54-F158 HydrophobicContact CB-CD1 4.05Å; P54-F158 HydrophobicContact CB-CD2 3.79Å; P54-F158 HydrophobicContact CB-CE1 3.97Å; P54-F158 HydrophobicContact CB-CE2 3.72Å; P54-F158 HydrophobicContact CB-CG 3.96Å; P54-F158 HydrophobicContact CB-CZ 3.81Å; P54-F158 HydrophobicContact CG-CB 4.34Å; P54-F158 HydrophobicContact CG-CD1 3.8Å; P54-F158 HydrophobicContact CG-CD2 4.18Å; P54-F158 HydrophobicContact CG-CE1 4.12Å; P54-F158 HydrophobicContact CG-CE2 4.47Å; P54-F158 HydrophobicContact CG-CG 3.83Å; P54-F158 HydrophobicContact CG-CZ 4.45Å; L57-F158 HydrophobicContact CB-CZ 4.49Å; L57-F158 HydrophobicContact CD1-CE1 4.17Å; C58-F158 VanDerWaalsContact SG-CE2 3.55Å; P61-F158 HydrophobicContact CB-CD2 3.99Å; P61-F158 HydrophobicContact CB-CE2 3.71Å; H62-F158 PolarHBondContact O-N 2.87Å; W109-F158 HydrophobicContact CH2-CB 4.17Å; W109-F158 HydrophobicContact CZ3-CB 4.42Å; L140-F158 HydrophobicContact CD1-CD1 3.78Å; L140-F158 HydrophobicContact CD1-CE1 4.41Å; L147-F158 HydrophobicContact CD1-CD1 4.32Å; L147-F158 HydrophobicContact CD1-CE1 4.18Å; N156-F158 VanDerWaalsContact C-CE2 3.44Å; N156-F158 WeakPolarHBondContact O-CD2 3.41Å; N156-F158 WeakPolarHBondContact O-CE2 3.36Å; F158-S160 VanDerWaalsContact C-N 3.29Å; F158-S160 PolarHBondContact O-N 3.35Å; F158-A161 PolarHBondContact O-N 2.81Å; F158-L162 HydrophobicContact CB-CD1 4.38Å; F158-L162 WeakPolarHBondContact O-CG 3.27Å; F158-L162 PolarHBondContact O-N 3.16Å; F158-L162 VanDerWaalsContact O-N 3.11Å | ||
| 159 | W | 94.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 23.5 Ų | 23.5 | 1% | 0.011 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.2 | -39.4 | -178.2 | 71.6 | -92.5 | 0 | 0 | 0 | 113.2 | L63 F64 I68 D72 L73 I101 L162 L163 | L63-W159 HydrophobicContact CD1-CB 3.95Å; L63-W159 HydrophobicContact CG-CB 4.11Å; L63-W159 WeakPolarHBondContact O-CB 3.32Å; L63-W159 VanDerWaalsContact O-CD1 3.23Å; L63-W159 PolarHBondContact O-N 2.9Å; L63-W159 VanDerWaalsContact O-N 3.13Å; F64-W159 HydrophobicContact CD1-CB 3.95Å; F64-W159 AromaticContact CD1-CD1 3.54Å; F64-W159 HydrophobicContact CD1-CD2 4.5Å; F64-W159 AromaticContact CD1-CG 3.73Å; F64-W159 HydrophobicContact CD1-CG 3.73Å; F64-W159 HydrophobicContact CE1-CB 3.44Å; F64-W159 VanDerWaalsContact CE1-CB 3.44Å; F64-W159 AromaticContact CE1-CD1 3.79Å; F64-W159 HydrophobicContact CE1-CD2 4.05Å; F64-W159 AromaticContact CE1-CG 3.47Å; F64-W159 HydrophobicContact CE1-CG 3.47Å; F64-W159 VanDerWaalsContact CE1-CG 3.47Å; F64-W159 HydrophobicContact CZ-CB 3.93Å; F64-W159 HydrophobicContact CZ-CG 4.42Å; I68-W159 HydrophobicContact CD1-CD2 4.5Å; I68-W159 HydrophobicContact CG2-CH2 3.9Å; I68-W159 HydrophobicContact CG2-CZ2 3.63Å; D72-W159 HydrophobicContact CB-CZ2 3.88Å; D72-W159 PolarHBondContact OD2-NE1 2.77Å; L73-W159 HydrophobicContact CD1-CH2 3.91Å; L73-W159 HydrophobicContact CD1-CZ2 4.4Å; L73-W159 HydrophobicContact CD2-CH2 3.7Å; L73-W159 HydrophobicContact CD2-CZ2 4.18Å; L73-W159 HydrophobicContact CD2-CZ3 4.23Å; L73-W159 HydrophobicContact CG-CH2 3.84Å; L73-W159 HydrophobicContact CG-CZ2 4.04Å; I101-W159 HydrophobicContact CD1-CB 4.45Å; I101-W159 HydrophobicContact CD1-CE3 3.98Å; W159-L162 PolarHBondContact O-N 3.37Å; W159-L163 HydrophobicContact CE3-CD2 4.21Å; W159-L163 HydrophobicContact CZ3-CD2 3.81Å; W159-L163 WeakPolarHBondContact O-CB 3.48Å; W159-L163 PolarHBondContact O-N 3.01Å |
| 160 | S | 94.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.8 | -43.6 | -177.4 | 51.2 | 0 | 0 | 0 | 0 | 112 | D72 F158 L163 E164 | D72-S160 PolarHBondContact O-OG 3.08Å; D72-S160 VanDerWaalsContact O-OG 3.07Å; F158-S160 VanDerWaalsContact C-N 3.29Å; F158-S160 PolarHBondContact O-N 3.35Å; S160-L163 PolarHBondContact O-N 3.41Å; S160-E164 WeakPolarHBondContact O-CB 3.3Å; S160-E164 PolarHBondContact O-N 3.42Å |
| 161 | A | 96.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 3% | 0.025 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64 | -42.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L140 L147 C150 F158 K165 | L140-A161 HydrophobicContact CD1-CB 3.81Å; L140-A161 HydrophobicContact CD2-CB 3.93Å; L147-A161 HydrophobicContact CD1-CB 4.31Å; C150-A161 WeakPolarHBondContact O-CA 3.39Å; C150-A161 VanDerWaalsContact O-CB 3.29Å; C150-A161 WeakPolarHBondContact O-CB 3.46Å; F158-A161 PolarHBondContact O-N 2.81Å; A161-K165 PolarHBondContact O-N 2.8Å |
| 162 | L | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -72 | -37.1 | 179 | -68.2 | 171 | 0 | 0 | 0 | 112.4 | L63 W109 F121 F123 D138 L140 F158 W159 K165 A166 | L63-L162 HydrophobicContact CD1-CD1 3.76Å; W109-L162 HydrophobicContact CH2-CD1 4.07Å; F121-L162 HydrophobicContact CD1-CD1 4Å; F121-L162 HydrophobicContact CD2-CD1 3.97Å; F121-L162 HydrophobicContact CD2-CD2 4.49Å; F121-L162 HydrophobicContact CE1-CD1 4.11Å; F121-L162 HydrophobicContact CE2-CD1 4.12Å; F121-L162 HydrophobicContact CG-CD1 3.94Å; F121-L162 HydrophobicContact CZ-CD1 4.19Å; F123-L162 HydrophobicContact CE2-CB 3.91Å; F123-L162 WeakPolarHBondContact CE2-O 3.45Å; F123-L162 HydrophobicContact CZ-CB 3.59Å; D138-L162 HydrophobicContact CB-CD2 3.85Å; L140-L162 HydrophobicContact CD2-CD2 4.07Å; L140-L162 HydrophobicContact CG-CD2 4.45Å; F158-L162 HydrophobicContact CB-CD1 4.38Å; F158-L162 WeakPolarHBondContact O-CG 3.27Å; F158-L162 PolarHBondContact O-N 3.16Å; F158-L162 VanDerWaalsContact O-N 3.11Å; W159-L162 PolarHBondContact O-N 3.37Å; L162-K165 WeakPolarHBondContact O-CB 3.45Å; L162-K165 PolarHBondContact O-N 3.11Å; L162-A166 PolarHBondContact O-N 2.85Å |
| 163 | L | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.7 | -45.2 | 174.9 | 179.1 | 65.9 | 0 | 0 | 0 | 111 | F83 V100 F123 F125 W159 S160 K165 A166 Y167 | F83-L163 HydrophobicContact CZ-CG 4.26Å; V100-L163 HydrophobicContact CG1-CD1 3.57Å; F123-L163 HydrophobicContact CB-CD1 4.4Å; F123-L163 HydrophobicContact CD1-CB 4.27Å; F123-L163 HydrophobicContact CD1-CD1 3.5Å; F123-L163 HydrophobicContact CE1-CB 3.95Å; F123-L163 HydrophobicContact CE1-CD1 4.04Å; F123-L163 HydrophobicContact CG-CD1 4.11Å; F123-L163 HydrophobicContact CZ-CB 4.45Å; F125-L163 HydrophobicContact CE1-CD1 3.76Å; F125-L163 HydrophobicContact CZ-CD1 3.73Å; W159-L163 HydrophobicContact CE3-CD2 4.21Å; W159-L163 HydrophobicContact CZ3-CD2 3.81Å; W159-L163 WeakPolarHBondContact O-CB 3.48Å; W159-L163 PolarHBondContact O-N 3.01Å; S160-L163 PolarHBondContact O-N 3.41Å; L163-K165 VanDerWaalsContact C-N 3.35Å; L163-A166 PolarHBondContact O-N 3.31Å; L163-Y167 PolarHBondContact O-N 2.91Å |
| 164 | E | 97.9 | Very high | 96 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.5 | -42.8 | 174.8 | -172.7 | -173.1 | -138.1 | 0 | 0 | 111.6 | N80 F83 Y149 C150 S160 A166 Y167 A168 Y174 L177 | N80-E164 PolarHBondContact ND2-OE1 3.18Å; F83-E164 HydrophobicContact CD1-CG 4.3Å; F83-E164 HydrophobicContact CE1-CB 3.67Å; F83-E164 HydrophobicContact CE1-CG 3.8Å; F83-E164 HydrophobicContact CZ-CB 4Å; F83-E164 HydrophobicContact CZ-CG 4.34Å; Y149-E164 WeakPolarHBondContact CB-OE2 3.48Å; C150-E164 WeakPolarHBondContact CA-OE2 3.4Å; C150-E164 HydrophobicContact CB-CB 4.13Å; C150-E164 HydrophobicContact CB-CG 4.28Å; C150-E164 WeakPolarHBondContact CB-OE1 3.24Å; C150-E164 WeakPolarHBondContact CB-OE2 3.4Å; C150-E164 PolarHBondContact N-OE1 3.05Å; C150-E164 PolarHBondContact N-OE2 2.96Å; S160-E164 WeakPolarHBondContact O-CB 3.3Å; S160-E164 PolarHBondContact O-N 3.42Å; E164-A166 VanDerWaalsContact C-N 3.35Å; E164-A166 PolarHBondContact O-N 2.68Å; E164-Y167 CarbonylContact O-C 3.55Å; E164-Y167 PolarHBondContact O-N 3.16Å; E164-Y167 VanDerWaalsContact O-N 3.16Å; E164-A168 WeakPolarHBondContact O-CB 3.32Å; E164-A168 PolarHBondContact O-N 2.93Å; E164-Y174 HydrophobicContact CG-CE1 4.1Å; E164-L177 HydrophobicContact CG-CD1 4.23Å |
| 165 | K | 98.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 0% | 0.004 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.4 | -46.8 | 174.9 | -173.6 | 178.2 | 173.9 | 179.7 | 0 | 112.1 | F32 V136 D137 L139 L140 A161 L162 L163 Y167 A168 K169 Y174 | F32-K165 HydrophobicContact CD1-CG 4.32Å; F32-K165 HydrophobicContact CE1-CG 4.13Å; V136-K165 HydrophobicContact CB-CD 4.37Å; V136-K165 HydrophobicContact CG1-CG 4.36Å; D137-K165 PolarHBondContact O-NZ 2.9Å; D137-K165 IonicContact OD1-NZ 3.34Å; D137-K165 PolarHBondContact OD1-NZ 3.2Å; L139-K165 WeakPolarHBondContact O-CE 3.28Å; L139-K165 PolarHBondContact O-NZ 2.88Å; L140-K165 HydrophobicContact CD2-CD 4.38Å; A161-K165 PolarHBondContact O-N 2.8Å; L162-K165 WeakPolarHBondContact O-CB 3.45Å; L162-K165 PolarHBondContact O-N 3.11Å; L163-K165 VanDerWaalsContact C-N 3.35Å; K165-Y167 VanDerWaalsContact C-N 3.27Å; K165-Y167 PolarHBondContact O-N 3.41Å; K165-A168 PolarHBondContact O-N 2.93Å; K165-K169 WeakPolarHBondContact O-CB 3.25Å; K165-K169 PolarHBondContact O-N 2.79Å; K165-Y174 WeakPolarHBondContact CA-OH 3.44Å; K165-Y174 VanDerWaalsContact CB-OH 3.23Å; K165-Y174 WeakPolarHBondContact CB-OH 3.47Å; K165-Y174 HydrophobicContact CG-CE2 4.49Å |
| 166 | A | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63.4 | -36.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | F123 F125 V134 V136 L162 L163 E164 K169 L170 | F123-A166 HydrophobicContact CB-CB 4.03Å; F123-A166 HydrophobicContact CD2-CB 3.4Å; F123-A166 HydrophobicContact CE2-CB 4.14Å; F123-A166 HydrophobicContact CG-CB 3.91Å; F125-A166 HydrophobicContact CE2-CB 3.88Å; F125-A166 HydrophobicContact CZ-CB 4.02Å; V134-A166 HydrophobicContact CB-CB 4.47Å; V134-A166 HydrophobicContact CG1-CB 4.11Å; V136-A166 HydrophobicContact CG1-CB 3.86Å; V136-A166 HydrophobicContact CG2-CB 4.35Å; L162-A166 PolarHBondContact O-N 2.85Å; L163-A166 PolarHBondContact O-N 3.31Å; E164-A166 VanDerWaalsContact C-N 3.35Å; E164-A166 PolarHBondContact O-N 2.68Å; A166-K169 PolarHBondContact O-N 3.1Å; A166-L170 PolarHBondContact O-N 2.95Å; A166-L170 VanDerWaalsContact O-N 3.14Å |
| 167 | Y | 97.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 6 Ų | 6 | 0% | 0.004 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -72.4 | -36.7 | 175.7 | -159.4 | -116.8 | 0 | 0 | 0 | 112.8 | W82 F83 F125 L163 E164 K165 K169 L170 A171 L177 D188 F189 R411 | W82-Y167 AromaticContact CH2-CE1 3.61Å; W82-Y167 HydrophobicContact CH2-CE1 3.61Å; W82-Y167 HydrophobicContact CZ2-CE1 4.37Å; W82-Y167 HydrophobicContact CZ3-CE1 4.14Å; F83-Y167 AromaticContact CD2-CD1 3.32Å; F83-Y167 HydrophobicContact CD2-CD1 3.32Å; F83-Y167 AromaticContact CD2-CE1 3.55Å; F83-Y167 HydrophobicContact CD2-CE1 3.55Å; F83-Y167 HydrophobicContact CD2-CG 4.02Å; F83-Y167 AromaticContact CE2-CD1 3.37Å; F83-Y167 HydrophobicContact CE2-CD1 3.37Å; F83-Y167 HydrophobicContact CE2-CD2 4.35Å; F83-Y167 AromaticContact CE2-CE1 3.98Å; F83-Y167 HydrophobicContact CE2-CE1 3.98Å; F83-Y167 AromaticContact CE2-CG 3.57Å; F83-Y167 HydrophobicContact CE2-CG 3.57Å; F83-Y167 HydrophobicContact CG-CD1 4.35Å; F83-Y167 HydrophobicContact CZ-CD1 4.45Å; F125-Y167 AromaticContact CD1-CD2 3.74Å; F125-Y167 HydrophobicContact CD1-CD2 3.74Å; F125-Y167 HydrophobicContact CD1-CE2 4.16Å; F125-Y167 AromaticContact CE1-CD2 3.61Å; F125-Y167 HydrophobicContact CE1-CD2 3.61Å; F125-Y167 HydrophobicContact CE1-CE2 4.41Å; F125-Y167 HydrophobicContact CE1-CG 4.34Å; F125-Y167 HydrophobicContact CG-CD2 4.34Å; F125-Y167 HydrophobicContact CZ-CD2 4.07Å; L163-Y167 PolarHBondContact O-N 2.91Å; E164-Y167 CarbonylContact O-C 3.55Å; E164-Y167 PolarHBondContact O-N 3.16Å; E164-Y167 VanDerWaalsContact O-N 3.16Å; K165-Y167 VanDerWaalsContact C-N 3.27Å; K165-Y167 PolarHBondContact O-N 3.41Å; Y167-K169 VanDerWaalsContact C-N 3.34Å; Y167-L170 HydrophobicContact CD2-CD1 4.39Å; Y167-L170 WeakPolarHBondContact O-CB 3.4Å; Y167-L170 PolarHBondContact O-N 2.85Å; Y167-A171 PolarHBondContact O-N 3.11Å; Y167-L177 HydrophobicContact CD1-CD1 4.16Å; Y167-L177 HydrophobicContact CD1-CD2 3.58Å; Y167-L177 HydrophobicContact CE1-CD2 3.94Å; Y167-D188 HydrophobicContact CE2-CB 4.01Å; Y167-D188 PolarHBondContact OH-OD2 2.94Å; Y167-F189 HydrophobicContact CE2-CE1 4.5Å; Y167-R411 VanDerWaalsContact CZ-NH2 3.35Å; Y167-R411 PolarHBondContact OH-NH1 2.81Å; Y167-R411 PolarHBondContact OH-NH2 2.87Å |
| 168 | A | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | F32 E164 K165 L170 A171 G172 S173 Y174 L177 | F32-A168 HydrophobicContact CZ-CB 4.05Å; E164-A168 WeakPolarHBondContact O-CB 3.32Å; E164-A168 PolarHBondContact O-N 2.93Å; K165-A168 PolarHBondContact O-N 2.93Å; A168-L170 PolarHBondContact O-N 2.88Å; A168-A171 CarbonylContact O-C 3.45Å; A168-A171 WeakPolarHBondContact O-CA 3.13Å; A168-A171 PolarHBondContact O-N 2.85Å; A168-A171 VanDerWaalsContact O-N 3.1Å; A168-G172 CarbonylContact O-C 3.6Å; A168-G172 PolarHBondContact O-N 3.34Å; A168-S173 PolarHBondContact O-N 2.87Å; A168-S173 VanDerWaalsContact O-N 3.08Å; A168-Y174 HydrophobicContact CB-CD1 3.94Å; A168-Y174 HydrophobicContact CB-CD2 4.08Å; A168-Y174 HydrophobicContact CB-CE1 4.17Å; A168-Y174 HydrophobicContact CB-CE2 4.3Å; A168-Y174 HydrophobicContact CB-CG 3.91Å; A168-L177 HydrophobicContact CB-CD1 3.83Å; A168-L177 HydrophobicContact CB-CG 4.36Å |
| 169 | K | 97.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 11.4 Ų | 11.4 | 2% | 0.017 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.4 | -44.6 | 172.9 | 175.9 | 173.5 | -177.8 | 177 | 0 | 112.5 | F8 D29 F32 V134 V135 V136 K165 A166 Y167 A171 G172 | F8-K169 HydrophobicContact CD1-CD 4.44Å; F8-K169 HydrophobicContact CD1-CG 4.36Å; F8-K169 HydrophobicContact CE1-CD 4.24Å; F8-K169 HydrophobicContact CE1-CG 3.76Å; D29-K169 IonicContact OD1-NZ 2.66Å; D29-K169 PolarHBondContact OD1-NZ 3.28Å; D29-K169 WeakPolarHBondContact OD2-CE 3.41Å; D29-K169 IonicContact OD2-NZ 3.77Å; D29-K169 PolarHBondContact OD2-NZ 2.82Å; F32-K169 HydrophobicContact CB-CB 4.16Å; F32-K169 HydrophobicContact CB-CD 3.66Å; F32-K169 HydrophobicContact CB-CG 3.8Å; F32-K169 HydrophobicContact CD1-CB 4.15Å; F32-K169 HydrophobicContact CD2-CB 3.76Å; F32-K169 HydrophobicContact CD2-CG 3.95Å; F32-K169 HydrophobicContact CE1-CB 4.48Å; F32-K169 HydrophobicContact CE2-CB 4.14Å; F32-K169 HydrophobicContact CG-CB 3.75Å; F32-K169 HydrophobicContact CG-CD 4.21Å; F32-K169 HydrophobicContact CG-CG 3.92Å; F32-K169 HydrophobicContact CZ-CB 4.48Å; V134-K169 HydrophobicContact CG1-CB 4.5Å; V134-K169 HydrophobicContact CG1-CD 3.92Å; V134-K169 HydrophobicContact CG1-CG 4.29Å; V135-K169 PolarHBondContact O-NZ 2.83Å; V136-K169 HydrophobicContact CG1-CD 3.95Å; K165-K169 WeakPolarHBondContact O-CB 3.25Å; K165-K169 PolarHBondContact O-N 2.79Å; A166-K169 PolarHBondContact O-N 3.1Å; Y167-K169 VanDerWaalsContact C-N 3.34Å; K169-A171 VanDerWaalsContact C-N 3.29Å; K169-A171 PolarHBondContact O-N 3.33Å; K169-G172 PolarHBondContact O-N 2.92Å |
| 170 | L | 95.5 | Very high | 95.3 | Very high | 33 Ų | 33 | 13.5 Ų | 13.5 | 17% | 0.173 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.2 | -38.3 | 173.4 | -78.5 | 179.4 | 0 | 0 | 0 | 112.8 | F8 F125 V134 A166 Y167 A168 G172 | F8-L170 HydrophobicContact CD1-CD2 4.46Å; F8-L170 HydrophobicContact CD2-CD2 3.51Å; F8-L170 HydrophobicContact CE2-CD2 3.68Å; F8-L170 HydrophobicContact CG-CD2 3.93Å; F8-L170 HydrophobicContact CZ-CD2 4.22Å; F125-L170 HydrophobicContact CB-CD1 3.77Å; F125-L170 HydrophobicContact CD1-CD1 4.49Å; F125-L170 HydrophobicContact CD2-CD1 3.2Å; F125-L170 HydrophobicContact CD2-CG 4.29Å; F125-L170 HydrophobicContact CE2-CD1 3.81Å; F125-L170 HydrophobicContact CG-CD1 3.57Å; V134-L170 HydrophobicContact CG1-CG 4.46Å; V134-L170 HydrophobicContact CG2-CD1 3.79Å; V134-L170 HydrophobicContact CG2-CD2 3.48Å; V134-L170 VanDerWaalsContact CG2-CD2 3.48Å; V134-L170 HydrophobicContact CG2-CG 3.57Å; A166-L170 PolarHBondContact O-N 2.95Å; A166-L170 VanDerWaalsContact O-N 3.14Å; Y167-L170 HydrophobicContact CD2-CD1 4.39Å; Y167-L170 WeakPolarHBondContact O-CB 3.4Å; Y167-L170 PolarHBondContact O-N 2.85Å; A168-L170 PolarHBondContact O-N 2.88Å; L170-G172 VanDerWaalsContact C-N 3.29Å |
| 171 | A | 95.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 3% | 0.025 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -79.9 | -8.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y167 A168 K169 A176 L177 R411 R412 | Y167-A171 PolarHBondContact O-N 3.11Å; A168-A171 CarbonylContact O-C 3.45Å; A168-A171 WeakPolarHBondContact O-CA 3.13Å; A168-A171 PolarHBondContact O-N 2.85Å; A168-A171 VanDerWaalsContact O-N 3.1Å; K169-A171 VanDerWaalsContact C-N 3.29Å; K169-A171 PolarHBondContact O-N 3.33Å; A171-A176 HydrophobicContact CB-CB 3.88Å; A171-A176 VanDerWaalsContact O-CB 3.23Å; A171-A176 WeakPolarHBondContact O-CB 3.3Å; A171-L177 HydrophobicContact CB-CD2 3.53Å; A171-L177 HydrophobicContact CB-CG 4.4Å; A171-R411 HydrophobicContact CB-CB 4.25Å; A171-R411 CarbonylContact O-C 3.52Å; A171-R412 WeakPolarHBondContact O-CA 3.45Å; A171-R412 PolarHBondContact O-N 3.1Å |
| 172 | G | 95 | Very high | 94.9 | Very high | 41 Ų | 41 | 15.3 Ų | 15.3 | 42% | 0.423 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.7 | -22.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | A168 K169 L170 | A168-G172 CarbonylContact O-C 3.6Å; A168-G172 PolarHBondContact O-N 3.34Å; K169-G172 PolarHBondContact O-N 2.92Å; L170-G172 VanDerWaalsContact C-N 3.29Å |
| 173 | S | 96 | Very high | 94.7 | Very high | 5 Ų | 5 | 15.5 Ų | 15.5 | 4% | 0.035 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -166.6 | 167.2 | 174.4 | 57.1 | 0 | 0 | 0 | 0 | 110.5 | S38 Y41 A168 A176 | S38-S173 CarbonylContact O-C 3.52Å; S38-S173 VanDerWaalsContact O-CA 3.27Å; S38-S173 WeakPolarHBondContact O-CA 3.45Å; S38-S173 WeakPolarHBondContact O-CB 3.44Å; Y41-S173 WeakPolarHBondContact CD1-OG 3.33Å; Y41-S173 WeakPolarHBondContact CE1-OG 3.42Å; A168-S173 PolarHBondContact O-N 2.87Å; A168-S173 VanDerWaalsContact O-N 3.08Å; S173-A176 WeakPolarHBondContact O-CB 3.29Å; S173-A176 PolarHBondContact O-N 3.28Å; S173-A176 PolarHBondContact OG-N 3.02Å |
| 174 | Y | 96.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 0% | 0.004 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -61.9 | -46 | 170.7 | -82.1 | -88.2 | 0 | 0 | 0 | 111.8 | F32 S38 L39 W51 L78 P141 Y149 E164 K165 A168 A176 L177 | F32-Y174 HydrophobicContact CE1-CD2 4.34Å; F32-Y174 HydrophobicContact CE1-CE2 4.01Å; F32-Y174 HydrophobicContact CZ-CD2 4.18Å; F32-Y174 HydrophobicContact CZ-CE2 4.3Å; S38-Y174 WeakPolarHBondContact O-CD2 3.41Å; S38-Y174 PolarHBondContact O-N 3.34Å; L39-Y174 HydrophobicContact CD2-CD2 4.04Å; W51-Y174 HydrophobicContact CH2-CE2 4.2Å; L78-Y174 VanDerWaalsContact CD2-O 3.25Å; L78-Y174 WeakPolarHBondContact CD2-O 3.45Å; P141-Y174 HydrophobicContact CG-CD2 4.42Å; P141-Y174 HydrophobicContact CG-CE2 3.77Å; Y149-Y174 HydrophobicContact CD1-CD1 4.11Å; Y149-Y174 AromaticContact CD2-CD1 3.39Å; Y149-Y174 HydrophobicContact CD2-CD1 3.39Å; Y149-Y174 HydrophobicContact CD2-CD2 4.32Å; Y149-Y174 AromaticContact CD2-CE1 3.35Å; Y149-Y174 HydrophobicContact CD2-CE1 3.35Å; Y149-Y174 HydrophobicContact CD2-CE2 4.29Å; Y149-Y174 AromaticContact CD2-CG 3.9Å; Y149-Y174 HydrophobicContact CD2-CG 3.9Å; Y149-Y174 AromaticContact CD2-CZ 3.82Å; Y149-Y174 HydrophobicContact CE1-CD1 4.21Å; Y149-Y174 HydrophobicContact CE1-CG 4.41Å; Y149-Y174 AromaticContact CE2-CD1 3.5Å; Y149-Y174 HydrophobicContact CE2-CD1 3.5Å; Y149-Y174 VanDerWaalsContact CE2-CD1 3.5Å; Y149-Y174 AromaticContact CE2-CD2 3.84Å; Y149-Y174 HydrophobicContact CE2-CD2 3.84Å; Y149-Y174 AromaticContact CE2-CE1 3.85Å; Y149-Y174 HydrophobicContact CE2-CE1 3.85Å; Y149-Y174 HydrophobicContact CE2-CE2 4.16Å; Y149-Y174 AromaticContact CE2-CG 3.48Å; Y149-Y174 HydrophobicContact CE2-CG 3.48Å; Y149-Y174 VanDerWaalsContact CE2-CG 3.48Å; Y149-Y174 AromaticContact CG-CD1 3.72Å; Y149-Y174 HydrophobicContact CG-CD1 3.72Å; Y149-Y174 AromaticContact CG-CE1 3.8Å; Y149-Y174 HydrophobicContact CG-CE1 3.8Å; Y149-Y174 AromaticContact CZ-CD1 3.91Å; Y149-Y174 AromaticContact CZ-CG 3.77Å; E164-Y174 HydrophobicContact CG-CE1 4.1Å; K165-Y174 WeakPolarHBondContact CA-OH 3.44Å; K165-Y174 VanDerWaalsContact CB-OH 3.23Å; K165-Y174 WeakPolarHBondContact CB-OH 3.47Å; K165-Y174 HydrophobicContact CG-CE2 4.49Å; A168-Y174 HydrophobicContact CB-CD1 3.94Å; A168-Y174 HydrophobicContact CB-CD2 4.08Å; A168-Y174 HydrophobicContact CB-CE1 4.17Å; A168-Y174 HydrophobicContact CB-CE2 4.3Å; A168-Y174 HydrophobicContact CB-CG 3.91Å; Y174-A176 PolarHBondContact O-N 3.08Å; Y174-A176 VanDerWaalsContact O-N 3.11Å; Y174-L177 WeakPolarHBondContact O-CB 3.28Å; Y174-L177 PolarHBondContact O-N 2.85Å |
| 175 | E | 95.1 | Very high | 94.4 | Very high | 18 Ų | 18 | 16.5 Ų | 16.5 | 8% | 0.084 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -59.2 | -24.7 | 177.6 | -172.8 | 175.3 | -149.8 | 0 | 0 | 112.9 | L39 F40 Y41 T42 R43 L177 D178 | L39-E175 WeakPolarHBondContact O-CB 3.31Å; L39-E175 PolarHBondContact O-N 2.82Å; F40-E175 VanDerWaalsContact CA-OE2 3.22Å; F40-E175 WeakPolarHBondContact CA-OE2 3.22Å; F40-E175 HydrophobicContact CB-CB 4.24Å; F40-E175 VanDerWaalsContact CB-OE2 3.27Å; F40-E175 WeakPolarHBondContact CB-OE2 3.29Å; Y41-E175 HydrophobicContact CD1-CB 4.28Å; Y41-E175 HydrophobicContact CE1-CB 3.84Å; Y41-E175 HydrophobicContact CE1-CG 3.94Å; Y41-E175 PolarHBondContact N-OE2 3.4Å; T42-E175 PolarHBondContact N-OE2 2.91Å; T42-E175 PolarHBondContact OG1-OE1 3.16Å; T42-E175 PolarHBondContact OG1-OE2 3.38Å; R43-E175 WeakPolarHBondContact CB-OE1 3.36Å; R43-E175 PolarHBondContact N-OE1 3.28Å; E175-L177 PolarHBondContact O-N 3.3Å; E175-D178 VanDerWaalsContact O-CB 3.3Å; E175-D178 WeakPolarHBondContact O-CB 3.36Å; E175-D178 PolarHBondContact O-N 2.79Å; E175-D178 VanDerWaalsContact O-N 3.08Å |
| 176 | A | 94.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 2% | 0.017 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -65.8 | -18.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y41 A171 S173 Y174 K414 | Y41-A176 HydrophobicContact CE1-CB 4.39Å; A171-A176 HydrophobicContact CB-CB 3.88Å; A171-A176 VanDerWaalsContact O-CB 3.23Å; A171-A176 WeakPolarHBondContact O-CB 3.3Å; S173-A176 WeakPolarHBondContact O-CB 3.29Å; S173-A176 PolarHBondContact O-N 3.28Å; S173-A176 PolarHBondContact OG-N 3.02Å; Y174-A176 PolarHBondContact O-N 3.08Å; Y174-A176 VanDerWaalsContact O-N 3.11Å; A176-K414 HydrophobicContact CB-CD 4.42Å; A176-K414 PolarHBondContact O-NZ 3.22Å |
| 177 | L | 94.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -84.7 | -7.4 | 174.3 | -53.7 | -176.7 | 0 | 0 | 0 | 113.5 | L78 N80 W82 E164 Y167 A168 A171 Y174 E175 G179 | L78-L177 HydrophobicContact CD2-CB 3.95Å; N80-L177 HydrophobicContact CB-CB 4.24Å; N80-L177 WeakPolarHBondContact CB-O 3.36Å; W82-L177 HydrophobicContact CZ2-CD2 4.49Å; W82-L177 PolarHBondContact NE1-O 2.94Å; E164-L177 HydrophobicContact CG-CD1 4.23Å; Y167-L177 HydrophobicContact CD1-CD1 4.16Å; Y167-L177 HydrophobicContact CD1-CD2 3.58Å; Y167-L177 HydrophobicContact CE1-CD2 3.94Å; A168-L177 HydrophobicContact CB-CD1 3.83Å; A168-L177 HydrophobicContact CB-CG 4.36Å; A171-L177 HydrophobicContact CB-CD2 3.53Å; A171-L177 HydrophobicContact CB-CG 4.4Å; Y174-L177 WeakPolarHBondContact O-CB 3.28Å; Y174-L177 PolarHBondContact O-N 2.85Å; E175-L177 PolarHBondContact O-N 3.3Å; L177-G179 PolarHBondContact O-N 2.83Å |
| 178 | D | 90.8 | Very high | 94 | Very high | 80 Ų | 80 | 16.6 Ų | 16.6 | 43% | 0.428 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -67.3 | 116.4 | 174.9 | -162.3 | 9.5 | 0 | 0 | 0 | 110.2 | L78 G79 E175 K414 | L78-D178 HydrophobicContact CD1-CB 3.84Å; G79-D178 VanDerWaalsContact CA-OD1 3.23Å; G79-D178 WeakPolarHBondContact CA-OD1 3.48Å; G79-D178 PolarHBondContact N-OD1 3.05Å; E175-D178 VanDerWaalsContact O-CB 3.3Å; E175-D178 WeakPolarHBondContact O-CB 3.36Å; E175-D178 PolarHBondContact O-N 2.79Å; E175-D178 VanDerWaalsContact O-N 3.08Å; D178-K414 PolarHBondContact O-NZ 2.85Å |
| 179 | G | 86.4 | Confident | 93.9 | Very high | 43 Ų | 43 | 16.6 Ų | 16.6 | 44% | 0.443 | 12% | 0.124 | S | C | . | . | S | Bend | trans | 68.9 | 123.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G79 L177 K414 | G79-G179 PolarHBondContact O-N 3.42Å; G79-G179 VanDerWaalsContact O-N 3.08Å; L177-G179 PolarHBondContact O-N 2.83Å; G179-K414 PolarHBondContact O-NZ 2.83Å; G179-K414 VanDerWaalsContact O-NZ 3.16Å |
| 180 | G | 87.6 | Confident | 93.6 | Very high | 46 Ų | 46 | 17.2 Ų | 17.2 | 47% | 0.474 | 13% | 0.128 | S | C | . | . | trans | -174.8 | -173.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | W82 | W82-G180 VanDerWaalsContact CD1-N 3.33Å; W82-G180 VanDerWaalsContact CE2-CA 3.5Å; W82-G180 VanDerWaalsContact CG-C 3.49Å | ||
| 181 | S | 90.8 | Very high | 93.5 | Very high | 38 Ų | 38 | 16.3 Ų | 16.3 | 27% | 0.266 | 13% | 0.127 | S | C | . | . | trans | -113 | 127.7 | -176.2 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | W82 A183 D184 A185 | W82-S181 VanDerWaalsContact CE3-C 3.43Å; W82-S181 VanDerWaalsContact CZ3-O 3.3Å; W82-S181 WeakPolarHBondContact CZ3-O 3.46Å; S181-A183 VanDerWaalsContact C-N 3.29Å; S181-A183 PolarHBondContact O-N 3.29Å; S181-A183 PolarHBondContact OG-N 2.9Å; S181-D184 WeakPolarHBondContact O-CB 3.14Å; S181-D184 PolarHBondContact O-N 2.85Å; S181-A185 PolarHBondContact O-N 3.37Å | ||
| 182 | A | 92.9 | Very high | 93.4 | Very high | 5 Ų | 5 | 16.3 Ų | 16.3 | 4% | 0.041 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.8 | -39.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | W82 D184 A185 I186 S229 A253 | W82-A182 HydrophobicContact CB-CB 4.35Å; W82-A182 WeakPolarHBondContact O-CA 3.38Å; W82-A182 WeakPolarHBondContact O-CB 3.22Å; A182-D184 VanDerWaalsContact C-N 3.25Å; A182-D184 PolarHBondContact O-N 3.06Å; A182-A185 PolarHBondContact O-N 2.87Å; A182-I186 VanDerWaalsContact O-CG1 3.28Å; A182-I186 WeakPolarHBondContact O-CG1 3.36Å; A182-I186 PolarHBondContact O-N 3.39Å; A182-S229 WeakPolarHBondContact CB-OG 3.3Å; A182-A253 HydrophobicContact CB-CB 4.43Å |
| 183 | A | 93.4 | Very high | 93.2 | Very high | 4 Ų | 4 | 14.5 Ų | 14.5 | 3% | 0.033 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -53 | -43.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S181 I186 V187 A194 D338 | S181-A183 VanDerWaalsContact C-N 3.29Å; S181-A183 PolarHBondContact O-N 3.29Å; S181-A183 PolarHBondContact OG-N 2.9Å; A183-I186 PolarHBondContact O-N 2.94Å; A183-V187 VanDerWaalsContact O-CG2 3.27Å; A183-V187 WeakPolarHBondContact O-CG2 3.44Å; A183-V187 PolarHBondContact O-N 2.95Å; A183-A194 HydrophobicContact CB-CB 3.75Å; A183-D338 HydrophobicContact CB-CB 3.88Å; A183-D338 PolarHBondContact N-OD2 3.45Å |
| 184 | D | 94.2 | Very high | 93.1 | Very high | 21 Ų | 21 | 14.6 Ų | 14.6 | 11% | 0.112 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.7 | -45.7 | -179.9 | -83.2 | -33.5 | 0 | 0 | 0 | 112.4 | S181 A182 I186 V187 D188 R457 | S181-D184 WeakPolarHBondContact O-CB 3.14Å; S181-D184 PolarHBondContact O-N 2.85Å; A182-D184 VanDerWaalsContact C-N 3.25Å; A182-D184 PolarHBondContact O-N 3.06Å; D184-I186 PolarHBondContact O-N 2.83Å; D184-V187 PolarHBondContact O-N 2.82Å; D184-D188 PolarHBondContact O-N 3.48Å; D184-R457 VanDerWaalsContact C-NH2 3.31Å; D184-R457 PolarHBondContact O-NH2 3.34Å; D184-R457 WeakPolarHBondContact OD1-CB 3.36Å; D184-R457 IonicContact OD1-CZ 3.67Å; D184-R457 IonicContact OD1-NE 3.28Å; D184-R457 PolarHBondContact OD1-NE 3.44Å; D184-R457 IonicContact OD1-NH2 3.98Å; D184-R457 PolarHBondContact OD1-NH2 3.12Å; D184-R457 VanDerWaalsContact OD2-CB 3.26Å; D184-R457 WeakPolarHBondContact OD2-CB 3.17Å; D184-R457 IonicContact OD2-NE 2.72Å; D184-R457 PolarHBondContact OD2-NE 2.86Å |
| 185 | A | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W82 A86 S181 A182 V187 D188 F189 | W82-A185 HydrophobicContact CE3-CB 3.78Å; W82-A185 HydrophobicContact CZ3-CB 3.45Å; W82-A185 VanDerWaalsContact CZ3-CB 3.45Å; A86-A185 HydrophobicContact CB-CB 3.35Å; S181-A185 PolarHBondContact O-N 3.37Å; A182-A185 PolarHBondContact O-N 2.87Å; A185-V187 VanDerWaalsContact C-N 3.3Å; A185-V187 PolarHBondContact O-N 2.89Å; A185-D188 CarbonylContact O-C 3.58Å; A185-D188 WeakPolarHBondContact O-CA 3.18Å; A185-D188 WeakPolarHBondContact O-CB 3.27Å; A185-D188 PolarHBondContact O-N 2.71Å; A185-F189 HydrophobicContact CB-CE2 3.98Å; A185-F189 HydrophobicContact CB-CZ 4.08Å; A185-F189 VanDerWaalsContact O-CD2 3.24Å; A185-F189 WeakPolarHBondContact O-CD2 3.45Å; A185-F189 WeakPolarHBondContact O-CG 3.21Å; A185-F189 PolarHBondContact O-N 2.83Å |
| 186 | I | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 176.9 | -68.7 | 166.8 | 0 | 0 | 0 | 110.8 | A86 C89 A182 A183 D184 D188 F189 T190 L227 C340 | A86-I186 HydrophobicContact CB-CG1 3.69Å; C89-I186 HydrophobicContact CB-CD1 4.39Å; A182-I186 VanDerWaalsContact O-CG1 3.28Å; A182-I186 WeakPolarHBondContact O-CG1 3.36Å; A182-I186 PolarHBondContact O-N 3.39Å; A183-I186 PolarHBondContact O-N 2.94Å; D184-I186 PolarHBondContact O-N 2.83Å; I186-D188 VanDerWaalsContact C-N 3.3Å; I186-D188 PolarHBondContact O-N 2.73Å; I186-F189 PolarHBondContact O-N 3.34Å; I186-T190 HydrophobicContact CG2-CG2 4.46Å; I186-T190 WeakPolarHBondContact O-CB 3.39Å; I186-T190 WeakPolarHBondContact O-CG2 3.36Å; I186-T190 PolarHBondContact O-N 2.57Å; I186-T190 VanDerWaalsContact O-N 3.12Å; I186-T190 PolarHBondContact O-OG1 3.47Å; I186-L227 HydrophobicContact CD1-CB 4.23Å; I186-L227 HydrophobicContact CG2-CB 3.91Å; I186-L227 HydrophobicContact CG2-CD1 3.83Å; I186-L227 HydrophobicContact CG2-CG 4.42Å; I186-C340 HydrophobicContact CB-CB 4.23Å; I186-C340 HydrophobicContact CD1-CB 4.49Å; I186-C340 HydrophobicContact CG2-CB 3.34Å; I186-C340 VanDerWaalsContact CG2-SG 3.53Å |
| 187 | V | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.6 | -42.6 | 174.3 | 169.7 | 0 | 0 | 0 | 0 | 110.5 | W126 A183 D184 A185 F189 T190 G191 A194 | W126-V187 HydrophobicContact CE3-CG1 3.57Å; W126-V187 HydrophobicContact CZ3-CG1 3.44Å; W126-V187 VanDerWaalsContact CZ3-CG1 3.44Å; A183-V187 VanDerWaalsContact O-CG2 3.27Å; A183-V187 WeakPolarHBondContact O-CG2 3.44Å; A183-V187 PolarHBondContact O-N 2.95Å; D184-V187 PolarHBondContact O-N 2.82Å; A185-V187 VanDerWaalsContact C-N 3.3Å; A185-V187 PolarHBondContact O-N 2.89Å; V187-F189 VanDerWaalsContact C-N 3.26Å; V187-F189 PolarHBondContact O-N 2.79Å; V187-T190 PolarHBondContact O-N 2.87Å; V187-G191 WeakPolarHBondContact O-CA 3.18Å; V187-G191 PolarHBondContact O-N 3.44Å; V187-A194 HydrophobicContact CG2-CB 3.9Å |
| 188 | D | 95.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 22.5 Ų | 22.5 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.4 | -26 | 177.4 | -62.2 | -9.2 | 0 | 0 | 0 | 112.4 | F125 W126 Y167 D184 A185 I186 R411 R457 | F125-D188 CarbonylContact C-O 3.59Å; F125-D188 WeakPolarHBondContact CA-O 3.43Å; W126-D188 PolarHBondContact N-O 3.46Å; W126-D188 WeakPolarHBondContact O-CA 2.99Å; Y167-D188 HydrophobicContact CE2-CB 4.01Å; Y167-D188 PolarHBondContact OH-OD2 2.94Å; D184-D188 PolarHBondContact O-N 3.48Å; A185-D188 CarbonylContact O-C 3.58Å; A185-D188 WeakPolarHBondContact O-CA 3.18Å; A185-D188 WeakPolarHBondContact O-CB 3.27Å; A185-D188 PolarHBondContact O-N 2.71Å; I186-D188 VanDerWaalsContact C-N 3.3Å; I186-D188 PolarHBondContact O-N 2.73Å; D188-R411 IonicContact OD2-NH2 3Å; D188-R411 PolarHBondContact OD2-NH2 3.49Å; D188-R457 IonicContact OD1-CZ 2.78Å; D188-R457 VanDerWaalsContact OD1-CZ 3.3Å; D188-R457 IonicContact OD1-NH1 3.88Å; D188-R457 PolarHBondContact OD1-NH1 3.18Å; D188-R457 IonicContact OD1-NH2 2.72Å; D188-R457 PolarHBondContact OD1-NH2 3.36Å; D188-R457 IonicContact OD2-CZ 2.79Å; D188-R457 IonicContact OD2-NH1 3.88Å; D188-R457 PolarHBondContact OD2-NH1 3.49Å; D188-R457 IonicContact OD2-NH2 2.72Å |
| 189 | F | 94.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -85.5 | -17.2 | 176.1 | -59 | -29.3 | 0 | 0 | 0 | 114.1 | F83 A86 C87 L90 V100 F125 W131 Y167 A185 I186 V187 | F83-F189 AromaticContact CD2-CZ 3.84Å; F83-F189 HydrophobicContact CD2-CZ 3.84Å; F83-F189 HydrophobicContact CE2-CE1 4.05Å; F83-F189 AromaticContact CE2-CZ 3.52Å; F83-F189 HydrophobicContact CE2-CZ 3.52Å; F83-F189 HydrophobicContact CZ-CZ 4.33Å; A86-F189 HydrophobicContact CB-CD2 4.2Å; A86-F189 HydrophobicContact CB-CE2 3.63Å; C87-F189 VanDerWaalsContact SG-CZ 3.56Å; L90-F189 HydrophobicContact CB-CD2 4.26Å; L90-F189 HydrophobicContact CD1-CB 4.06Å; L90-F189 HydrophobicContact CD2-CB 4.05Å; L90-F189 HydrophobicContact CD2-CD2 4.04Å; L90-F189 HydrophobicContact CD2-CG 3.95Å; V100-F189 HydrophobicContact CG1-CD1 4.5Å; V100-F189 HydrophobicContact CG2-CB 3.97Å; V100-F189 HydrophobicContact CG2-CD1 4.5Å; V100-F189 WeakPolarHBondContact CG2-O 3.46Å; F125-F189 AromaticContact CD1-CD1 3.93Å; F125-F189 HydrophobicContact CD1-CD1 3.93Å; F125-F189 AromaticContact CD1-CE1 3.94Å; F125-F189 HydrophobicContact CD1-CE1 3.94Å; F125-F189 HydrophobicContact CE1-CD1 4.1Å; F125-F189 AromaticContact CE1-CE1 3.76Å; F125-F189 HydrophobicContact CE1-CE1 3.76Å; W131-F189 WeakPolarHBondContact CH2-O 3.42Å; Y167-F189 HydrophobicContact CE2-CE1 4.5Å; A185-F189 HydrophobicContact CB-CE2 3.98Å; A185-F189 HydrophobicContact CB-CZ 4.08Å; A185-F189 VanDerWaalsContact O-CD2 3.24Å; A185-F189 WeakPolarHBondContact O-CD2 3.45Å; A185-F189 WeakPolarHBondContact O-CG 3.21Å; A185-F189 PolarHBondContact O-N 2.83Å; I186-F189 PolarHBondContact O-N 3.34Å; V187-F189 VanDerWaalsContact C-N 3.26Å; V187-F189 PolarHBondContact O-N 2.79Å |
| 190 | T | 92.8 | Very high | 93 | Very high | 16 Ų | 16 | 22.3 Ų | 22.3 | 10% | 0.098 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -137.4 | -21 | -163.1 | 65.6 | 0 | 0 | 0 | 0 | 115 | L90 L96 I186 V187 A192 L227 I342 | L90-T190 HydrophobicContact CD1-CG2 4.42Å; L96-T190 HydrophobicContact CB-CG2 4.41Å; L96-T190 HydrophobicContact CD1-CG2 3.82Å; L96-T190 HydrophobicContact CD2-CG2 4.46Å; L96-T190 HydrophobicContact CG-CG2 4.46Å; I186-T190 HydrophobicContact CG2-CG2 4.46Å; I186-T190 WeakPolarHBondContact O-CB 3.39Å; I186-T190 WeakPolarHBondContact O-CG2 3.36Å; I186-T190 PolarHBondContact O-N 2.57Å; I186-T190 VanDerWaalsContact O-N 3.12Å; I186-T190 PolarHBondContact O-OG1 3.47Å; V187-T190 PolarHBondContact O-N 2.87Å; T190-A192 PolarHBondContact O-N 2.85Å; T190-A192 WeakPolarHBondContact OG1-CB 3.22Å; T190-A192 PolarHBondContact OG1-N 2.81Å; T190-L227 HydrophobicContact CG2-CD1 3.99Å; T190-I342 HydrophobicContact CG2-CD1 4.24Å |
| 191 | G | 92.1 | Very high | 93.2 | Very high | 15 Ų | 15 | 26.5 Ų | 26.5 | 16% | 0.155 | 15% | 0.152 | C | C | . | . | trans | 66.1 | 19.2 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114 | W126 V187 R488 | W126-G191 VanDerWaalsContact CD2-CA 3.48Å; V187-G191 WeakPolarHBondContact O-CA 3.18Å; V187-G191 PolarHBondContact O-N 3.44Å; G191-R488 PolarHBondContact O-NH1 3.14Å | ||
| 192 | A | 92.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 3% | 0.025 | 15% | 0.152 | C | C | . | . | trans | -59.6 | 171.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T190 C340 I342 R488 | T190-A192 PolarHBondContact O-N 2.85Å; T190-A192 WeakPolarHBondContact OG1-CB 3.22Å; T190-A192 PolarHBondContact OG1-N 2.81Å; A192-C340 HydrophobicContact CB-CB 4.09Å; A192-I342 HydrophobicContact CB-CD1 3.99Å; A192-R488 PolarHBondContact O-NH1 3.24Å | ||
| 193 | V | 92.2 | Very high | 93.3 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 115.5 | 168.1 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | R341 V343 F460 F490 | V193-R341 PolarHBondContact N-O 3.39Å; V193-R341 VanDerWaalsContact N-O 3.11Å; V193-R341 PolarHBondContact O-N 3.05Å; V193-V343 HydrophobicContact CB-CG2 4.37Å; V193-V343 HydrophobicContact CG2-CG2 3.91Å; V193-F460 HydrophobicContact CG1-CD2 3.42Å; V193-F460 VanDerWaalsContact CG1-CD2 3.42Å; V193-F460 HydrophobicContact CG1-CE2 3.43Å; V193-F460 VanDerWaalsContact CG1-CE2 3.43Å; V193-F490 HydrophobicContact CG2-CD2 4.41Å; V193-F490 HydrophobicContact CG2-CE1 4.27Å; V193-F490 HydrophobicContact CG2-CE2 3.42Å; V193-F490 VanDerWaalsContact CG2-CE2 3.42Å; V193-F490 HydrophobicContact CG2-CZ 3.32Å |
| 194 | A | 93.4 | Very high | 93.3 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 5% | 0.05 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 137.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A183 V187 F460 | A183-A194 HydrophobicContact CB-CB 3.75Å; V187-A194 HydrophobicContact CG2-CB 3.9Å; A194-F460 VanDerWaalsContact O-CB 3.28Å; A194-F460 WeakPolarHBondContact O-CB 3.48Å |
| 195 | E | 92.4 | Very high | 93.2 | Very high | 26 Ų | 26 | 39.4 Ų | 39.4 | 12% | 0.121 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 120.3 | 166.6 | 174.1 | 179.1 | -163.1 | 0 | 0 | 107.3 | V197 I339 R341 F460 K462 | E195-V197 HydrophobicContact CG-CG2 4.04Å; E195-I339 HydrophobicContact CB-CB 4.49Å; E195-I339 PolarHBondContact N-O 3.27Å; E195-I339 PolarHBondContact O-N 2.73Å; E195-R341 VanDerWaalsContact CB-NH1 3.35Å; E195-R341 IonicContact OE2-CZ 2.66Å; E195-R341 IonicContact OE2-NH1 2.6Å; E195-R341 PolarHBondContact OE2-NH1 3.28Å; E195-R341 IonicContact OE2-NH2 2.82Å; E195-R341 PolarHBondContact OE2-NH2 3.09Å; E195-F460 HydrophobicContact CB-CD1 3.51Å; E195-F460 HydrophobicContact CB-CE1 3.73Å; E195-F460 HydrophobicContact CB-CG 4.12Å; E195-F460 HydrophobicContact CG-CD1 3.55Å; E195-F460 HydrophobicContact CG-CE1 3.75Å; E195-K462 IonicContact OE1-NZ 3.42Å; E195-K462 PolarHBondContact OE1-NZ 2.74Å; E195-K462 IonicContact OE2-NZ 3.98Å; E195-K462 PolarHBondContact OE2-NZ 3.17Å |
| 196 | S | 91.5 | Very high | 93.1 | Very high | 80 Ų | 80 | 46.1 Ų | 46.1 | 56% | 0.559 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 133.4 | 171.2 | -52.7 | 0 | 0 | 0 | 0 | 109.2 | V337 D338 | S196-V337 CarbonylContact C-O 3.55Å; S196-V337 WeakPolarHBondContact CA-O 3.27Å; S196-D338 VanDerWaalsContact CB-OD1 3.3Å; S196-D338 WeakPolarHBondContact CB-OD1 3.49Å; S196-D338 PolarHBondContact OG-OD1 2.85Å |
| 197 | V | 92.3 | Very high | 93 | Very high | 19 Ų | 19 | 49.3 Ų | 49.3 | 12% | 0.115 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 122.4 | 179.2 | 180 | 0 | 0 | 0 | 0 | 108.8 | E195 Y204 V337 I339 | E195-V197 HydrophobicContact CG-CG2 4.04Å; V197-Y204 HydrophobicContact CG1-CE2 3.74Å; V197-V337 HydrophobicContact CB-CG1 3.74Å; V197-V337 HydrophobicContact CG1-CG1 4.42Å; V197-V337 HydrophobicContact CG2-CG1 4.45Å; V197-V337 PolarHBondContact N-O 3.14Å; V197-V337 PolarHBondContact O-N 3.47Å; V197-I339 HydrophobicContact CG2-CD1 3.8Å |
| 198 | D | 92.9 | Very high | 92.8 | Very high | 62 Ų | 62 | 55 Ų | 55 | 33% | 0.332 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 115.1 | 172.1 | -178 | -31.1 | 0 | 0 | 0 | 109.4 | I200 Q201 G202 | D198-I200 VanDerWaalsContact C-N 3.33Å; D198-I200 WeakPolarHBondContact OD1-CA 3.37Å; D198-I200 WeakPolarHBondContact OD1-CB 3.43Å; D198-I200 PolarHBondContact OD1-N 3.4Å; D198-Q201 HydrophobicContact CB-CB 3.97Å; D198-Q201 PolarHBondContact OD1-N 3.17Å; D198-G202 PolarHBondContact O-N 2.99Å |
| 199 | L | 94.7 | Very high | 92.7 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -26.8 | -176.9 | -60.4 | 176.9 | 0 | 0 | 0 | 112.5 | K203 Y204 L214 W330 F334 T335 V337 | L199-K203 PolarHBondContact O-N 2.62Å; L199-Y204 HydrophobicContact CB-CD2 4.38Å; L199-Y204 HydrophobicContact CD2-CD2 3.92Å; L199-Y204 HydrophobicContact CD2-CE2 4.33Å; L199-Y204 HydrophobicContact CD2-CG 4.26Å; L199-Y204 WeakPolarHBondContact O-CD2 3.19Å; L199-Y204 PolarHBondContact O-N 2.95Å; L199-L214 HydrophobicContact CD2-CD2 3.52Å; L199-W330 HydrophobicContact CD1-CE3 4.33Å; L199-W330 HydrophobicContact CD1-CH2 3.52Å; L199-W330 HydrophobicContact CD1-CZ2 3.91Å; L199-W330 HydrophobicContact CD1-CZ3 3.74Å; L199-W330 HydrophobicContact CD2-CH2 3.87Å; L199-W330 HydrophobicContact CD2-CZ3 3.88Å; L199-W330 HydrophobicContact CG-CH2 4.3Å; L199-W330 HydrophobicContact CG-CZ3 4.5Å; L199-F334 HydrophobicContact CD1-CB 3.83Å; L199-T335 VanDerWaalsContact CB-O 3.31Å; L199-T335 WeakPolarHBondContact CB-O 3.31Å; L199-T335 PolarHBondContact N-O 3.19Å; L199-V337 HydrophobicContact CD2-CG1 3.99Å |
| 200 | I | 92.3 | Very high | 92.6 | Very high | 118 Ų | 118 | 60.7 Ų | 60.7 | 61% | 0.605 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -54.3 | 179.1 | -58.5 | 172.6 | 0 | 0 | 0 | 109.2 | D198 G202 K203 T335 | D198-I200 VanDerWaalsContact C-N 3.33Å; D198-I200 WeakPolarHBondContact OD1-CA 3.37Å; D198-I200 WeakPolarHBondContact OD1-CB 3.43Å; D198-I200 PolarHBondContact OD1-N 3.4Å; I200-G202 VanDerWaalsContact C-N 3.26Å; I200-G202 PolarHBondContact O-N 3.29Å; I200-K203 WeakPolarHBondContact O-CA 3.21Å; I200-K203 PolarHBondContact O-N 3.06Å; I200-T335 HydrophobicContact CD1-CG2 3.79Å; I200-T335 HydrophobicContact CG1-CG2 4.46Å |
| 201 | Q | 91.3 | Very high | 92.6 | Very high | 133 Ų | 133 | 61 Ų | 61 | 62% | 0.621 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -36.3 | 179.4 | -169.3 | -178.5 | 21.4 | 0 | 0 | 111.5 | D198 K203 | D198-Q201 HydrophobicContact CB-CB 3.97Å; D198-Q201 PolarHBondContact OD1-N 3.17Å; Q201-K203 PolarHBondContact O-N 2.72Å |
| 202 | G | 91.1 | Very high | 92.7 | Very high | 26 Ų | 26 | 63.6 Ų | 63.6 | 27% | 0.268 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -3.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D198 I200 Y204 | D198-G202 PolarHBondContact O-N 2.99Å; I200-G202 VanDerWaalsContact C-N 3.26Å; I200-G202 PolarHBondContact O-N 3.29Å; G202-Y204 PolarHBondContact O-N 2.91Å |
| 203 | K | 93.8 | Very high | 92.7 | Very high | 111 Ų | 111 | 69.2 Ų | 69.2 | 48% | 0.483 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 34.2 | 178.7 | -56.5 | -174.3 | 177.2 | -168 | 0 | 113.9 | L199 I200 Q201 R205 E206 I207 | L199-K203 PolarHBondContact O-N 2.62Å; I200-K203 WeakPolarHBondContact O-CA 3.21Å; I200-K203 PolarHBondContact O-N 3.06Å; Q201-K203 PolarHBondContact O-N 2.72Å; K203-R205 PolarHBondContact O-N 3.1Å; K203-E206 PolarHBondContact O-N 3.15Å; K203-I207 HydrophobicContact CB-CD1 3.81Å; K203-I207 HydrophobicContact CB-CG1 4.02Å; K203-I207 HydrophobicContact CD-CD1 4.14Å; K203-I207 PolarHBondContact O-N 2.85Å |
| 204 | Y | 93.3 | Very high | 92.8 | Very high | 35 Ų | 35 | 69.5 Ų | 69.5 | 14% | 0.137 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -17.7 | -177.4 | -65.6 | -83.8 | 0 | 0 | 0 | 113.3 | V197 L199 G202 E210 Q211 L214 | V197-Y204 HydrophobicContact CG1-CE2 3.74Å; L199-Y204 HydrophobicContact CB-CD2 4.38Å; L199-Y204 HydrophobicContact CD2-CD2 3.92Å; L199-Y204 HydrophobicContact CD2-CE2 4.33Å; L199-Y204 HydrophobicContact CD2-CG 4.26Å; L199-Y204 WeakPolarHBondContact O-CD2 3.19Å; L199-Y204 PolarHBondContact O-N 2.95Å; G202-Y204 PolarHBondContact O-N 2.91Å; Y204-E210 HydrophobicContact CD1-CB 3.93Å; Y204-E210 HydrophobicContact CE1-CB 3.89Å; Y204-E210 WeakPolarHBondContact CE1-O 3.45Å; Y204-Q211 PolarHBondContact O-NE2 3.12Å; Y204-Q211 VanDerWaalsContact O-NE2 3.16Å; Y204-L214 HydrophobicContact CD1-CB 3.89Å; Y204-L214 HydrophobicContact CD1-CD2 3.69Å; Y204-L214 HydrophobicContact CD1-CG 4.4Å; Y204-L214 HydrophobicContact CD2-CD2 4.43Å; Y204-L214 HydrophobicContact CE1-CB 3.66Å; Y204-L214 HydrophobicContact CE1-CD2 3.83Å; Y204-L214 HydrophobicContact CE1-CG 4.21Å; Y204-L214 HydrophobicContact CE2-CD2 4.47Å; Y204-L214 HydrophobicContact CG-CD2 4.01Å |
| 205 | R | 92.2 | Very high | 93 | Very high | 168 Ų | 168 | 69.2 Ų | 69.2 | 63% | 0.634 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -32.9 | 170.1 | -178.9 | 172.9 | 176.9 | 172.1 | -1 | 113.1 | K203 K332 | K203-R205 PolarHBondContact O-N 3.1Å; R205-K332 HydrophobicContact CG-CG 3.99Å |
| 206 | E | 92.6 | Very high | 93.1 | Very high | 141 Ų | 141 | 71.6 Ų | 71.6 | 66% | 0.659 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | -36.5 | -170.2 | -62.6 | 168.9 | -172.1 | 0 | 0 | 111.9 | K203 | K203-E206 PolarHBondContact O-N 3.15Š|
| 207 | I | 93.8 | Very high | 93.2 | Very high | 67 Ų | 67 | 70 Ų | 70 | 34% | 0.344 | 34% | 0.342 | S | S | . | . | trans | -103.9 | 98.7 | -170.3 | -52.5 | 179.6 | 0 | 0 | 0 | 110.3 | K203 S209 E210 Q211 | K203-I207 HydrophobicContact CB-CD1 3.81Å; K203-I207 HydrophobicContact CB-CG1 4.02Å; K203-I207 HydrophobicContact CD-CD1 4.14Å; K203-I207 PolarHBondContact O-N 2.85Å; I207-S209 VanDerWaalsContact C-N 3.26Å; I207-S209 WeakPolarHBondContact CG2-OG 3.43Å; I207-S209 PolarHBondContact O-N 3.04Å; I207-E210 HydrophobicContact CB-CB 4.33Å; I207-E210 HydrophobicContact CB-CG 4.32Å; I207-E210 HydrophobicContact CG2-CB 4.2Å; I207-E210 HydrophobicContact CG2-CG 3.85Å; I207-E210 PolarHBondContact O-N 2.69Å; I207-E210 VanDerWaalsContact O-N 3.13Å; I207-Q211 PolarHBondContact O-N 3.22Å | ||
| 208 | I | 91.1 | Very high | 93.3 | Very high | 118 Ų | 118 | 69.1 Ų | 69.1 | 61% | 0.605 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -55.7 | -38.6 | -178.6 | -61 | 172.1 | 0 | 0 | 0 | 112.1 | E210 Q211 I212 | I208-E210 PolarHBondContact O-N 3.18Å; I208-Q211 WeakPolarHBondContact O-CB 3.19Å; I208-Q211 PolarHBondContact O-N 3.27Å; I208-I212 HydrophobicContact CG2-CD1 3.83Å; I208-I212 HydrophobicContact CG2-CG1 4.29Å; I208-I212 VanDerWaalsContact O-CG1 3.26Å; I208-I212 WeakPolarHBondContact O-CG1 3.35Å; I208-I212 PolarHBondContact O-N 3.27Å |
| 209 | S | 93.1 | Very high | 93.4 | Very high | 65 Ų | 65 | 67.5 Ų | 67.5 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.1 | -36.9 | -179.1 | 57.6 | 0 | 0 | 0 | 0 | 113 | I207 K213 | I207-S209 VanDerWaalsContact C-N 3.26Å; I207-S209 WeakPolarHBondContact CG2-OG 3.43Å; I207-S209 PolarHBondContact O-N 3.04Å; S209-K213 VanDerWaalsContact O-CG 3.3Å; S209-K213 WeakPolarHBondContact O-CG 3.07Å; S209-K213 PolarHBondContact O-N 3.42Å; S209-K213 VanDerWaalsContact O-N 3.14Å |
| 210 | E | 92.8 | Very high | 93.3 | Very high | 61 Ų | 61 | 72 Ų | 72 | 29% | 0.285 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -73.7 | -37.9 | 174.8 | -65.4 | -52.4 | 132.4 | 0 | 0 | 111.3 | Y204 I207 I208 I212 K213 L214 | Y204-E210 HydrophobicContact CD1-CB 3.93Å; Y204-E210 HydrophobicContact CE1-CB 3.89Å; Y204-E210 WeakPolarHBondContact CE1-O 3.45Å; I207-E210 HydrophobicContact CB-CB 4.33Å; I207-E210 HydrophobicContact CB-CG 4.32Å; I207-E210 HydrophobicContact CG2-CB 4.2Å; I207-E210 HydrophobicContact CG2-CG 3.85Å; I207-E210 PolarHBondContact O-N 2.69Å; I207-E210 VanDerWaalsContact O-N 3.13Å; I208-E210 PolarHBondContact O-N 3.18Å; E210-I212 VanDerWaalsContact C-N 3.35Å; E210-I212 PolarHBondContact O-N 2.8Å; E210-K213 PolarHBondContact O-N 3.38Å; E210-K213 IonicContact OE1-NZ 3.32Å; E210-K213 PolarHBondContact OE1-NZ 3.42Å; E210-K213 IonicContact OE2-NZ 2.78Å; E210-L214 WeakPolarHBondContact O-CB 3.36Å; E210-L214 PolarHBondContact O-N 3.02Å |
| 211 | Q | 93.9 | Very high | 93.3 | Very high | 22 Ų | 22 | 66.8 Ų | 66.8 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.3 | -47.9 | 171.9 | -175 | -179.4 | 91.9 | 0 | 0 | 111.6 | Y204 I207 I208 K213 L214 F215 F327 | Y204-Q211 PolarHBondContact O-NE2 3.12Å; Y204-Q211 VanDerWaalsContact O-NE2 3.16Å; I207-Q211 PolarHBondContact O-N 3.22Å; I208-Q211 WeakPolarHBondContact O-CB 3.19Å; I208-Q211 PolarHBondContact O-N 3.27Å; Q211-K213 PolarHBondContact O-N 3.08Å; Q211-L214 PolarHBondContact O-N 3.1Å; Q211-F215 PolarHBondContact O-N 2.87Å; Q211-F327 HydrophobicContact CG-CD1 3.67Å; Q211-F327 HydrophobicContact CG-CE1 3.71Å; Q211-F327 VanDerWaalsContact O-CE1 3.29Å; Q211-F327 WeakPolarHBondContact O-CE1 3.1Å |
| 212 | I | 92.4 | Very high | 93.3 | Very high | 70 Ų | 70 | 62 Ų | 62 | 36% | 0.359 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 177.6 | -66.6 | 172 | 0 | 0 | 0 | 111.1 | I208 E210 L214 F215 E216 F278 | I208-I212 HydrophobicContact CG2-CD1 3.83Å; I208-I212 HydrophobicContact CG2-CG1 4.29Å; I208-I212 VanDerWaalsContact O-CG1 3.26Å; I208-I212 WeakPolarHBondContact O-CG1 3.35Å; I208-I212 PolarHBondContact O-N 3.27Å; E210-I212 VanDerWaalsContact C-N 3.35Å; E210-I212 PolarHBondContact O-N 2.8Å; I212-L214 VanDerWaalsContact C-N 3.35Å; I212-L214 PolarHBondContact O-N 2.97Å; I212-F215 PolarHBondContact O-N 2.81Å; I212-E216 WeakPolarHBondContact O-CG 3.43Å; I212-E216 PolarHBondContact O-N 2.86Å; I212-E216 VanDerWaalsContact O-N 3.07Å; I212-F278 HydrophobicContact CG1-CE2 4.15Å |
| 213 | K | 93.9 | Very high | 93.3 | Very high | 121 Ų | 121 | 65.2 Ų | 65.2 | 53% | 0.526 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 177.5 | -73.7 | 170.7 | -170.6 | 170.5 | 0 | 111.9 | S209 E210 Q211 E216 D217 | S209-K213 VanDerWaalsContact O-CG 3.3Å; S209-K213 WeakPolarHBondContact O-CG 3.07Å; S209-K213 PolarHBondContact O-N 3.42Å; S209-K213 VanDerWaalsContact O-N 3.14Å; E210-K213 PolarHBondContact O-N 3.38Å; E210-K213 IonicContact OE1-NZ 3.32Å; E210-K213 PolarHBondContact OE1-NZ 3.42Å; E210-K213 IonicContact OE2-NZ 2.78Å; Q211-K213 PolarHBondContact O-N 3.08Å; K213-E216 PolarHBondContact O-N 3.19Å; K213-D217 PolarHBondContact O-N 2.83Å |
| 214 | L | 95.1 | Very high | 93 | Very high | 9 Ų | 9 | 65.8 Ų | 65.8 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 177.3 | -178.9 | 62.9 | 0 | 0 | 0 | 110.7 | L199 Y204 E210 Q211 I212 E216 D217 L218 F327 W330 I339 | L199-L214 HydrophobicContact CD2-CD2 3.52Å; Y204-L214 HydrophobicContact CD1-CB 3.89Å; Y204-L214 HydrophobicContact CD1-CD2 3.69Å; Y204-L214 HydrophobicContact CD1-CG 4.4Å; Y204-L214 HydrophobicContact CD2-CD2 4.43Å; Y204-L214 HydrophobicContact CE1-CB 3.66Å; Y204-L214 HydrophobicContact CE1-CD2 3.83Å; Y204-L214 HydrophobicContact CE1-CG 4.21Å; Y204-L214 HydrophobicContact CE2-CD2 4.47Å; Y204-L214 HydrophobicContact CG-CD2 4.01Å; E210-L214 WeakPolarHBondContact O-CB 3.36Å; E210-L214 PolarHBondContact O-N 3.02Å; Q211-L214 PolarHBondContact O-N 3.1Å; I212-L214 VanDerWaalsContact C-N 3.35Å; I212-L214 PolarHBondContact O-N 2.97Å; L214-E216 VanDerWaalsContact C-N 3.31Å; L214-E216 PolarHBondContact O-N 2.97Å; L214-D217 PolarHBondContact O-N 3.04Å; L214-D217 VanDerWaalsContact O-N 3.11Å; L214-L218 HydrophobicContact CD1-CD1 4.2Å; L214-L218 HydrophobicContact CD1-CD2 4.32Å; L214-L218 HydrophobicContact CD1-CG 4.01Å; L214-L218 HydrophobicContact CG-CD1 3.97Å; L214-L218 HydrophobicContact CG-CG 4.19Å; L214-L218 WeakPolarHBondContact O-CG 3.46Å; L214-L218 PolarHBondContact O-N 2.95Å; L214-F327 HydrophobicContact CB-CZ 4.32Å; L214-F327 HydrophobicContact CD2-CZ 4Å; L214-F327 HydrophobicContact CG-CZ 3.97Å; L214-W330 HydrophobicContact CD2-CH2 4.47Å; L214-W330 HydrophobicContact CD2-CZ3 3.97Å; L214-I339 HydrophobicContact CD1-CD1 4.47Å |
| 215 | F | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -54.7 | -47.1 | 176.3 | 179.6 | -96.8 | 0 | 0 | 0 | 112.2 | Q211 I212 D217 L218 L219 I259 K261 F278 F327 | Q211-F215 PolarHBondContact O-N 2.87Å; I212-F215 PolarHBondContact O-N 2.81Å; F215-D217 PolarHBondContact O-N 2.91Å; F215-L218 PolarHBondContact O-N 3.27Å; F215-L219 HydrophobicContact CE1-CD2 4.12Å; F215-L219 VanDerWaalsContact O-CB 3.23Å; F215-L219 WeakPolarHBondContact O-CB 3.28Å; F215-L219 PolarHBondContact O-N 3.32Å; F215-I259 HydrophobicContact CD2-CG2 4.04Å; F215-I259 HydrophobicContact CE2-CG2 3.42Å; F215-I259 VanDerWaalsContact CE2-CG2 3.42Å; F215-I259 HydrophobicContact CZ-CG2 3.79Å; F215-K261 HydrophobicContact CE1-CD 4.29Å; F215-K261 HydrophobicContact CE1-CG 3.66Å; F215-K261 HydrophobicContact CZ-CG 3.96Å; F215-F278 HydrophobicContact CD1-CB 4.36Å; F215-F278 HydrophobicContact CD1-CD1 4.16Å; F215-F278 HydrophobicContact CD1-CD2 4.19Å; F215-F278 AromaticContact CD1-CG 3.97Å; F215-F278 HydrophobicContact CD1-CG 3.97Å; F215-F278 HydrophobicContact CD2-CB 3.87Å; F215-F278 HydrophobicContact CD2-CG 4.35Å; F215-F278 HydrophobicContact CE1-CB 4.16Å; F215-F278 AromaticContact CE1-CD1 3.7Å; F215-F278 HydrophobicContact CE1-CD1 3.7Å; F215-F278 HydrophobicContact CE1-CE1 4.24Å; F215-F278 AromaticContact CE1-CG 3.86Å; F215-F278 HydrophobicContact CE1-CG 3.86Å; F215-F278 HydrophobicContact CE2-CB 3.63Å; F215-F278 HydrophobicContact CE2-CG 4.24Å; F215-F278 HydrophobicContact CG-CB 4.21Å; F215-F278 HydrophobicContact CG-CD2 4.32Å; F215-F278 HydrophobicContact CG-CG 4.21Å; F215-F278 HydrophobicContact CZ-CB 3.79Å; F215-F278 AromaticContact CZ-CD1 3.97Å; F215-F278 HydrophobicContact CZ-CD1 3.97Å; F215-F278 AromaticContact CZ-CG 4Å; F215-F278 HydrophobicContact CZ-CG 4Å; F215-F327 HydrophobicContact CB-CD1 3.81Å; F215-F327 HydrophobicContact CB-CE1 3.68Å; F215-F327 HydrophobicContact CB-CE2 4.43Å; F215-F327 HydrophobicContact CB-CG 4.25Å; F215-F327 HydrophobicContact CB-CZ 4Å; F215-F327 HydrophobicContact CD2-CB 3.95Å; F215-F327 HydrophobicContact CD2-CD1 4.02Å; F215-F327 AromaticContact CD2-CD2 3.62Å; F215-F327 HydrophobicContact CD2-CD2 3.62Å; F215-F327 HydrophobicContact CD2-CE1 4.46Å; F215-F327 HydrophobicContact CD2-CE2 4.09Å; F215-F327 AromaticContact CD2-CG 3.56Å; F215-F327 HydrophobicContact CD2-CG 3.56Å; F215-F327 HydrophobicContact CD2-CZ 4.48Å; F215-F327 HydrophobicContact CE2-CB 4.4Å; F215-F327 HydrophobicContact CE2-CD2 4.38Å; F215-F327 HydrophobicContact CE2-CG 4.4Å; F215-F327 HydrophobicContact CG-CD1 4.34Å; F215-F327 HydrophobicContact CG-CG 4.32Å |
| 216 | E | 94.8 | Very high | 92.8 | Very high | 76 Ų | 76 | 56.9 Ų | 56.9 | 36% | 0.355 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.9 | -36.1 | 178.5 | -63.6 | -69.8 | 178.3 | 0 | 0 | 112.4 | I212 K213 L214 K220 K261 | I212-E216 WeakPolarHBondContact O-CG 3.43Å; I212-E216 PolarHBondContact O-N 2.86Å; I212-E216 VanDerWaalsContact O-N 3.07Å; K213-E216 PolarHBondContact O-N 3.19Å; L214-E216 VanDerWaalsContact C-N 3.31Å; L214-E216 PolarHBondContact O-N 2.97Å; E216-K220 WeakPolarHBondContact O-CB 3.35Å; E216-K220 PolarHBondContact O-N 3Å; E216-K261 VanDerWaalsContact OE1-CE 3.27Å; E216-K261 WeakPolarHBondContact OE1-CE 3.38Å; E216-K261 IonicContact OE1-NZ 3.36Å; E216-K261 PolarHBondContact OE1-NZ 2.63Å; E216-K261 IonicContact OE2-NZ 3.05Å; E216-K261 PolarHBondContact OE2-NZ 2.9Å |
| 217 | D | 93.1 | Very high | 92.9 | Very high | 45 Ų | 45 | 50.4 Ų | 50.4 | 24% | 0.241 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.8 | -46.5 | 175.3 | -162.2 | 44.2 | 0 | 0 | 0 | 111.3 | K213 L214 F215 K220 V221 R341 | K213-D217 PolarHBondContact O-N 2.83Å; L214-D217 PolarHBondContact O-N 3.04Å; L214-D217 VanDerWaalsContact O-N 3.11Å; F215-D217 PolarHBondContact O-N 2.91Å; D217-K220 WeakPolarHBondContact O-CB 3.47Å; D217-K220 PolarHBondContact O-N 3.17Å; D217-V221 WeakPolarHBondContact O-CG2 3.38Å; D217-V221 PolarHBondContact O-N 2.94Å; D217-R341 IonicContact OD2-NH2 3.88Å; D217-R341 PolarHBondContact OD2-NH2 2.75Å |
| 218 | L | 95.8 | Very high | 93 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63 | -45.2 | 178 | -63.8 | 179.4 | 0 | 0 | 0 | 111.3 | L214 F215 K220 V221 H222 I228 I259 F327 W330 V337 I339 | L214-L218 HydrophobicContact CD1-CD1 4.2Å; L214-L218 HydrophobicContact CD1-CD2 4.32Å; L214-L218 HydrophobicContact CD1-CG 4.01Å; L214-L218 HydrophobicContact CG-CD1 3.97Å; L214-L218 HydrophobicContact CG-CG 4.19Å; L214-L218 WeakPolarHBondContact O-CG 3.46Å; L214-L218 PolarHBondContact O-N 2.95Å; F215-L218 PolarHBondContact O-N 3.27Å; L218-K220 VanDerWaalsContact C-N 3.29Å; L218-K220 PolarHBondContact O-N 2.68Å; L218-V221 PolarHBondContact O-N 3.11Å; L218-H222 WeakPolarHBondContact O-CB 3.41Å; L218-H222 PolarHBondContact O-N 2.81Å; L218-I228 HydrophobicContact CB-CD1 4.13Å; L218-I228 HydrophobicContact CD2-CD1 4.03Å; L218-I228 HydrophobicContact CD2-CG2 4.26Å; L218-I259 HydrophobicContact CB-CD1 3.53Å; L218-F327 HydrophobicContact CD1-CE2 3.75Å; L218-F327 HydrophobicContact CD1-CZ 3.94Å; L218-W330 HydrophobicContact CD1-CH2 4.16Å; L218-W330 HydrophobicContact CD1-CZ3 4.3Å; L218-V337 HydrophobicContact CD2-CG2 4.25Å; L218-I339 HydrophobicContact CD2-CD1 3.48Å; L218-I339 VanDerWaalsContact CD2-CD1 3.48Å; L218-I339 HydrophobicContact CD2-CG1 3.58Å; L218-I339 HydrophobicContact CD2-CG2 4.33Å |
| 219 | L | 95.1 | Very high | 93.2 | Very high | 28 Ų | 28 | 41.7 Ų | 41.7 | 15% | 0.147 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.6 | -43.8 | 174.5 | 177.3 | 61.3 | 0 | 0 | 0 | 111.2 | F215 T223 I259 K261 | F215-L219 HydrophobicContact CE1-CD2 4.12Å; F215-L219 VanDerWaalsContact O-CB 3.23Å; F215-L219 WeakPolarHBondContact O-CB 3.28Å; F215-L219 PolarHBondContact O-N 3.32Å; L219-T223 HydrophobicContact CD1-CG2 3.95Å; L219-T223 HydrophobicContact CG-CG2 4.44Å; L219-T223 WeakPolarHBondContact O-CB 3.21Å; L219-T223 VanDerWaalsContact O-CG2 3.22Å; L219-T223 WeakPolarHBondContact O-CG2 3.4Å; L219-T223 PolarHBondContact O-N 3.48Å; L219-T223 PolarHBondContact O-OG1 3.05Å; L219-I259 HydrophobicContact CB-CG2 3.93Å; L219-I259 HydrophobicContact CD1-CB 4.18Å; L219-I259 HydrophobicContact CD1-CG2 4.04Å; L219-I259 VanDerWaalsContact CD1-O 3.3Å; L219-I259 WeakPolarHBondContact CD1-O 3.36Å; L219-K261 HydrophobicContact CD2-CD 4.44Å; L219-K261 HydrophobicContact CD2-CG 4.47Å |
| 220 | K | 92.1 | Very high | 93.3 | Very high | 96 Ų | 96 | 38.7 Ų | 38.7 | 42% | 0.417 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.8 | -37.5 | 177.7 | -179.6 | -177.7 | 179.9 | 179.7 | 0 | 112.6 | E216 D217 L218 T223 R224 | E216-K220 WeakPolarHBondContact O-CB 3.35Å; E216-K220 PolarHBondContact O-N 3Å; D217-K220 WeakPolarHBondContact O-CB 3.47Å; D217-K220 PolarHBondContact O-N 3.17Å; L218-K220 VanDerWaalsContact C-N 3.29Å; L218-K220 PolarHBondContact O-N 2.68Å; K220-T223 WeakPolarHBondContact CA-OG1 3.26Å; K220-T223 PolarHBondContact O-OG1 2.82Å; K220-T223 VanDerWaalsContact O-OG1 3.14Å; K220-R224 WeakPolarHBondContact O-CB 3.25Å; K220-R224 WeakPolarHBondContact O-CD 3.19Å; K220-R224 WeakPolarHBondContact O-CG 3.28Å; K220-R224 PolarHBondContact O-N 2.9Å |
| 221 | V | 91.7 | Very high | 93.4 | Very high | 10 Ų | 10 | 37.2 Ų | 37.2 | 6% | 0.061 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.9 | -50.2 | 176.3 | 170.7 | 0 | 0 | 0 | 0 | 110 | D217 L218 T223 R224 G225 G226 I228 I339 R341 | D217-V221 WeakPolarHBondContact O-CG2 3.38Å; D217-V221 PolarHBondContact O-N 2.94Å; L218-V221 PolarHBondContact O-N 3.11Å; V221-T223 PolarHBondContact O-N 2.67Å; V221-R224 CarbonylContact O-C 3.43Å; V221-R224 PolarHBondContact O-N 2.88Å; V221-R224 VanDerWaalsContact O-N 3.08Å; V221-G225 PolarHBondContact O-N 2.78Å; V221-G226 WeakPolarHBondContact O-CA 3.42Å; V221-G226 PolarHBondContact O-N 2.92Å; V221-I228 HydrophobicContact CB-CD1 4.42Å; V221-I228 HydrophobicContact CG1-CD1 4.27Å; V221-I228 HydrophobicContact CG1-CG1 4.19Å; V221-I339 HydrophobicContact CB-CG2 4.15Å; V221-I339 HydrophobicContact CG1-CG2 3.78Å; V221-I339 HydrophobicContact CG2-CG2 3.83Å; V221-R341 HydrophobicContact CG1-CG 4.22Å; V221-R341 HydrophobicContact CG2-CG 4.01Å |
| 222 | H | 92 | Very high | 93.3 | Very high | 31 Ų | 31 | 36.8 Ų | 36.8 | 14% | 0.144 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58 | -48.7 | 179.2 | -175.3 | -89.8 | 0 | 0 | 0 | 112.1 | L218 R224 G225 I228 T257 I259 | L218-H222 WeakPolarHBondContact O-CB 3.41Å; L218-H222 PolarHBondContact O-N 2.81Å; H222-R224 PolarHBondContact O-N 2.97Å; H222-R224 VanDerWaalsContact O-N 3.09Å; H222-G225 PolarHBondContact O-N 2.89Å; H222-I228 HydrophobicContact CB-CD1 4.2Å; H222-T257 PolarHBondContact NE2-O 2.87Å; H222-I259 HydrophobicContact CB-CD1 4.01Å; H222-I259 HydrophobicContact CB-CG1 4.45Å |
| 223 | T | 90.2 | Very high | 93 | Very high | 94 Ų | 94 | 37.1 Ų | 37.1 | 58% | 0.577 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -17.2 | 178.1 | 50.8 | 0 | 0 | 0 | 0 | 114.3 | L219 K220 V221 | L219-T223 HydrophobicContact CD1-CG2 3.95Å; L219-T223 HydrophobicContact CG-CG2 4.44Å; L219-T223 WeakPolarHBondContact O-CB 3.21Å; L219-T223 VanDerWaalsContact O-CG2 3.22Å; L219-T223 WeakPolarHBondContact O-CG2 3.4Å; L219-T223 PolarHBondContact O-N 3.48Å; L219-T223 PolarHBondContact O-OG1 3.05Å; K220-T223 WeakPolarHBondContact CA-OG1 3.26Å; K220-T223 PolarHBondContact O-OG1 2.82Å; K220-T223 VanDerWaalsContact O-OG1 3.14Å; V221-T223 PolarHBondContact O-N 2.67Å |
| 224 | R | 88.3 | Confident | 92.1 | Very high | 123 Ų | 123 | 32.1 Ų | 32.1 | 46% | 0.464 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 14.1 | 176.4 | -67.7 | 175 | -179.4 | -152.5 | -6.4 | 112.9 | K220 V221 H222 G226 | K220-R224 WeakPolarHBondContact O-CB 3.25Å; K220-R224 WeakPolarHBondContact O-CD 3.19Å; K220-R224 WeakPolarHBondContact O-CG 3.28Å; K220-R224 PolarHBondContact O-N 2.9Å; V221-R224 CarbonylContact O-C 3.43Å; V221-R224 PolarHBondContact O-N 2.88Å; V221-R224 VanDerWaalsContact O-N 3.08Å; H222-R224 PolarHBondContact O-N 2.97Å; H222-R224 VanDerWaalsContact O-N 3.09Å; R224-G226 VanDerWaalsContact C-N 3.28Å; R224-G226 PolarHBondContact O-N 3.31Å |
| 225 | G | 89.3 | Confident | 90.8 | Very high | 12 Ų | 12 | 38.3 Ų | 38.3 | 12% | 0.124 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 14.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V221 H222 I342 | V221-G225 PolarHBondContact O-N 2.78Å; H222-G225 PolarHBondContact O-N 2.89Å; G225-I342 VanDerWaalsContact O-CG1 3.31Å; G225-I342 WeakPolarHBondContact O-CG1 3.42Å |
| 226 | G | 92 | Very high | 89 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | trans | -69.7 | 150.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V221 R224 C340 | V221-G226 WeakPolarHBondContact O-CA 3.42Å; V221-G226 PolarHBondContact O-N 2.92Å; R224-G226 VanDerWaalsContact C-N 3.28Å; R224-G226 PolarHBondContact O-N 3.31Å; G226-C340 CarbonylContact C-O 3.54Å; G226-C340 WeakPolarHBondContact CA-O 3.36Å | ||
| 227 | L | 94.6 | Very high | 87 | Confident | 6 Ų | 6 | 43.7 Ų | 43.7 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 140.7 | -177.1 | -61.5 | -176.5 | 0 | 0 | 0 | 109.2 | C89 Q93 L96 I186 T190 C340 | C89-L227 HydrophobicContact CB-CB 4.08Å; C89-L227 HydrophobicContact CB-CD1 4.08Å; C89-L227 HydrophobicContact CB-CD2 4.08Å; C89-L227 HydrophobicContact CB-CG 4.3Å; C89-L227 WeakPolarHBondContact O-CD2 3.47Å; Q93-L227 HydrophobicContact CG-CD2 3.66Å; L96-L227 HydrophobicContact CD1-CD1 4.29Å; I186-L227 HydrophobicContact CD1-CB 4.23Å; I186-L227 HydrophobicContact CG2-CB 3.91Å; I186-L227 HydrophobicContact CG2-CD1 3.83Å; I186-L227 HydrophobicContact CG2-CG 4.42Å; T190-L227 HydrophobicContact CG2-CD1 3.99Å; L227-C340 HydrophobicContact CB-CB 4.32Å; L227-C340 PolarHBondContact N-O 3.35Å; L227-C340 WeakPolarHBondContact O-CA 3.28Å; L227-C340 VanDerWaalsContact O-CB 3.31Å; L227-C340 WeakPolarHBondContact O-CB 3.47Å; L227-C340 PolarHBondContact O-N 2.88Å |
| 228 | I | 95.6 | Very high | 85.1 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 129.5 | -174.3 | -55.6 | 163.8 | 0 | 0 | 0 | 108.4 | C89 L218 V221 H222 V256 I259 V337 D338 I339 | C89-I228 PolarHBondContact SG-O 2.82Å; C89-I228 VanDerWaalsContact SG-O 3.39Å; L218-I228 HydrophobicContact CB-CD1 4.13Å; L218-I228 HydrophobicContact CD2-CD1 4.03Å; L218-I228 HydrophobicContact CD2-CG2 4.26Å; V221-I228 HydrophobicContact CB-CD1 4.42Å; V221-I228 HydrophobicContact CG1-CD1 4.27Å; V221-I228 HydrophobicContact CG1-CG1 4.19Å; H222-I228 HydrophobicContact CB-CD1 4.2Å; I228-V256 HydrophobicContact CB-CB 3.94Å; I228-V256 HydrophobicContact CB-CG2 4.05Å; I228-V256 HydrophobicContact CG2-CB 4.06Å; I228-V256 HydrophobicContact CG2-CG2 3.6Å; I228-V256 WeakPolarHBondContact O-CB 3.43Å; I228-V256 PolarHBondContact O-N 2.74Å; I228-I259 HydrophobicContact CD1-CD1 3.8Å; I228-V337 HydrophobicContact CG2-CG2 3.54Å; I228-D338 WeakPolarHBondContact CA-O 3.45Å; I228-I339 HydrophobicContact CG1-CG2 4.48Å |
| 229 | S | 95.6 | Very high | 83.2 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.007 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 157.5 | 170.5 | 51.5 | 0 | 0 | 0 | 0 | 109.9 | A182 Y254 V337 D338 | A182-S229 WeakPolarHBondContact CB-OG 3.3Å; S229-Y254 CarbonylContact C-O 3.44Å; S229-Y254 VanDerWaalsContact CA-O 3.22Å; S229-Y254 WeakPolarHBondContact CA-O 3.36Å; S229-Y254 WeakPolarHBondContact CB-O 3.46Å; S229-V337 WeakPolarHBondContact O-CG2 3.49Å; S229-D338 PolarHBondContact N-O 3.24Å; S229-D338 PolarHBondContact O-N 2.87Å; S229-D338 WeakPolarHBondContact OG-CB 3.44Å |
| 230 | C | 95.8 | Very high | 81.9 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.014 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 160.3 | 177.8 | 57.8 | 0 | 0 | 0 | 0 | 110.9 | Y254 L282 W330 F334 D336 V337 | C230-Y254 PolarHBondContact N-O 2.75Å; C230-Y254 PolarHBondContact O-N 3.17Å; C230-L282 VanDerWaalsContact SG-CD2 3.57Å; C230-W330 HydrophobicContact CB-CZ2 3.81Å; C230-F334 HydrophobicContact CB-CD1 3.94Å; C230-F334 HydrophobicContact CB-CE1 4.4Å; C230-F334 VanDerWaalsContact SG-CE1 3.54Å; C230-D336 VanDerWaalsContact CA-O 3.25Å; C230-D336 WeakPolarHBondContact CA-O 3.29Å; C230-D336 VanDerWaalsContact CB-O 3.27Å; C230-D336 WeakPolarHBondContact CB-O 3.48Å; C230-V337 HydrophobicContact CB-CB 4.34Å; C230-V337 HydrophobicContact CB-CG2 4.34Å |
| 231 | S | 94.1 | Very high | 81.3 | Confident | 30 Ų | 30 | 52.3 Ų | 52.3 | 21% | 0.21 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 165.8 | -178.5 | 54.3 | 0 | 0 | 0 | 0 | 112 | H252 T335 D336 | S231-H252 WeakPolarHBondContact CA-O 3.14Å; S231-H252 VanDerWaalsContact CB-O 3.3Å; S231-H252 WeakPolarHBondContact CB-O 3.27Å; S231-T335 PolarHBondContact O-N 2.89Å; S231-T335 VanDerWaalsContact O-N 3.14Å; S231-T335 PolarHBondContact O-OG1 3.08Å; S231-D336 PolarHBondContact N-O 3.44Å; S231-D336 PolarHBondContact O-N 3.03Å |
| 232 | I | 92.1 | Very high | 80.9 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 7% | 0.067 | 35% | 0.348 | C | S | . | . | trans | -117.7 | 110.1 | 174.2 | -52.1 | 171.5 | 0 | 0 | 0 | 107.1 | L248 I250 G251 F334 T335 | I232-L248 HydrophobicContact CD1-CB 3.65Å; I232-L248 HydrophobicContact CD1-CD1 3.96Å; I232-L248 HydrophobicContact CD1-CG 4.36Å; I232-I250 HydrophobicContact CG2-CB 4.41Å; I232-I250 HydrophobicContact CG2-CG1 3.93Å; I232-I250 HydrophobicContact CG2-CG2 4.37Å; I232-G251 PolarHBondContact O-N 3.14Å; I232-F334 HydrophobicContact CD1-CD1 4.4Å; I232-F334 HydrophobicContact CD1-CE1 4.17Å; I232-F334 HydrophobicContact CD1-CZ 4.26Å; I232-F334 HydrophobicContact CG1-CD1 3.71Å; I232-F334 HydrophobicContact CG1-CE1 3.88Å; I232-F334 HydrophobicContact CG1-CG 4.13Å; I232-F334 HydrophobicContact CG1-CZ 4.42Å; I232-T335 HydrophobicContact CG2-CG2 4.36Å | ||
| 233 | T | 85.5 | Confident | 80.8 | Confident | 77 Ų | 77 | 59.9 Ų | 59.9 | 47% | 0.472 | 36% | 0.361 | S | S | . | . | trans | -90 | 133.9 | -179.4 | -58.6 | 0 | 0 | 0 | 0 | 109.6 | T335 D336 | T233-T335 WeakPolarHBondContact CB-OG1 3.47Å; T233-T335 PolarHBondContact N-OG1 2.88Å; T233-T335 PolarHBondContact OG1-OG1 3.21Å; T233-D336 PolarHBondContact OG1-OD2 2.63Å | ||
| 234 | A | 76 | Confident | 80.7 | Confident | 15 Ų | 15 | 57.4 Ų | 57.4 | 12% | 0.124 | 35% | 0.346 | C | S | . | . | trans | -69.3 | 134.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N236 G237 S238 I250 | A234-N236 WeakPolarHBondContact CB-OD1 3.29Å; A234-N236 PolarHBondContact O-N 3.16Å; A234-N236 VanDerWaalsContact O-N 3.09Å; A234-G237 PolarHBondContact O-N 3.38Å; A234-S238 VanDerWaalsContact CB-O 3.24Å; A234-S238 WeakPolarHBondContact CB-O 3.31Å; A234-I250 HydrophobicContact CB-CG2 3.6Å | ||
| 235 | S | 66.9 | Low | 80.6 | Confident | 139 Ų | 139 | 60.8 Ų | 60.8 | 97% | 0.972 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -21.3 | -178.6 | -34.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 236 | N | 58.1 | Low | 80.6 | Confident | 123 Ų | 123 | 63.7 Ų | 63.7 | 66% | 0.658 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 5.8 | -179.2 | 61.1 | -2 | 0 | 0 | 0 | 113.2 | A234 S238 | A234-N236 WeakPolarHBondContact CB-OD1 3.29Å; A234-N236 PolarHBondContact O-N 3.16Å; A234-N236 VanDerWaalsContact O-N 3.09Å; N236-S238 PolarHBondContact ND2-OG 3.05Å; N236-S238 PolarHBondContact O-N 3.29Å; N236-S238 VanDerWaalsContact O-N 3.16Å; N236-S238 WeakPolarHBondContact OD1-CB 3.43Å; N236-S238 PolarHBondContact OD1-N 3.1Å; N236-S238 VanDerWaalsContact OD1-N 3.1Å; N236-S238 PolarHBondContact OD1-OG 3.09Å |
| 237 | G | 53.8 | Low | 80.5 | Confident | 67 Ų | 67 | 63.5 Ų | 63.5 | 69% | 0.691 | 38% | 0.376 | S | S | * | . | trans | 66.8 | 8.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A234 A239 | A234-G237 PolarHBondContact O-N 3.38Å; G237-A239 PolarHBondContact O-N 2.81Å | ||
| 238 | S | 52.8 | Low | 80.4 | Confident | 51 Ų | 51 | 63.2 Ų | 63.2 | 36% | 0.357 | 38% | 0.375 | S | S | . | . | trans | -71.8 | 122.7 | 173.4 | 74.3 | 0 | 0 | 0 | 0 | 109.4 | A234 N236 N240 | A234-S238 VanDerWaalsContact CB-O 3.24Å; A234-S238 WeakPolarHBondContact CB-O 3.31Å; N236-S238 PolarHBondContact ND2-OG 3.05Å; N236-S238 PolarHBondContact O-N 3.29Å; N236-S238 VanDerWaalsContact O-N 3.16Å; N236-S238 WeakPolarHBondContact OD1-CB 3.43Å; N236-S238 PolarHBondContact OD1-N 3.1Å; N236-S238 VanDerWaalsContact OD1-N 3.1Å; N236-S238 PolarHBondContact OD1-OG 3.09Å; S238-N240 PolarHBondContact O-N 3.16Å | ||
| 239 | A | 55.2 | Low | 80.2 | Confident | 88 Ų | 88 | 63.2 Ų | 63.2 | 73% | 0.727 | 37% | 0.374 | S | S | * | . | trans | -81.4 | 9.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G237 | G237-A239 PolarHBondContact O-N 2.81Š| ||
| 240 | N | 67.3 | Low | 79.9 | Confident | 128 Ų | 128 | 64.6 Ų | 64.6 | 68% | 0.684 | 38% | 0.381 | S | S | * | . | trans | -81.4 | 128.7 | -175.2 | -70.6 | -11.6 | 0 | 0 | 0 | 110.4 | S238 M242 | S238-N240 PolarHBondContact O-N 3.16Å; N240-M242 PolarHBondContact O-N 2.79Å | ||
| 241 | E | 79.6 | Confident | 79.4 | Confident | 83 Ų | 83 | 66.1 Ų | 66.1 | 39% | 0.388 | 40% | 0.397 | S | S | . | . | trans | -61.2 | 117.8 | 175.9 | -66 | 170.2 | 159.6 | 0 | 0 | 110 | V249 I250 H252 W286 | E241-V249 HydrophobicContact CB-CG1 4.15Å; E241-I250 VanDerWaalsContact CA-O 3.26Å; E241-I250 WeakPolarHBondContact CA-O 3.25Å; E241-H252 IonicContact OE1-ND1 3.74Å; E241-W286 HydrophobicContact CB-CH2 4.3Å; E241-W286 HydrophobicContact CB-CZ2 4.32Å; E241-W286 HydrophobicContact CG-CZ2 4.41Å; E241-W286 WeakPolarHBondContact OE2-CZ2 3.39Å | ||
| 242 | M | 85.3 | Confident | 79.1 | Confident | 114 Ų | 114 | 64.8 Ų | 64.8 | 56% | 0.562 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 127.7 | -177.3 | -174.7 | 175.6 | 70.7 | 0 | 0 | 111.1 | N240 V249 I250 | N240-M242 PolarHBondContact O-N 2.79Å; M242-V249 CarbonylContact O-C 3.46Å; M242-V249 WeakPolarHBondContact O-CA 3.4Å; M242-I250 HydrophobicContact CE-CD1 3.85Å; M242-I250 PolarHBondContact N-O 3.28Å; M242-I250 PolarHBondContact O-N 3.36Å |
| 243 | E | 88.3 | Confident | 79 | Confident | 86 Ų | 86 | 64.6 Ų | 64.6 | 40% | 0.402 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 133.2 | 175.9 | -171.3 | 171.1 | 178.1 | 0 | 0 | 111.3 | L248 R289 | E243-L248 CarbonylContact C-O 3.44Å; E243-L248 WeakPolarHBondContact CA-O 3.19Å; E243-R289 VanDerWaalsContact OE2-CD 3.26Å; E243-R289 WeakPolarHBondContact OE2-CD 3.26Å; E243-R289 IonicContact OE2-CZ 2.67Å; E243-R289 IonicContact OE2-NE 3.48Å; E243-R289 PolarHBondContact OE2-NE 2.86Å; E243-R289 IonicContact OE2-NH1 2.81Å; E243-R289 PolarHBondContact OE2-NH1 3.27Å |
| 244 | T | 88.6 | Confident | 79.4 | Confident | 42 Ų | 42 | 61 Ų | 61 | 26% | 0.258 | 37% | 0.366 | S | S | . | . | trans | -83.5 | 162.8 | 174.7 | 64.6 | 0 | 0 | 0 | 0 | 111 | M246 G247 L248 I250 | T244-M246 PolarHBondContact O-N 2.89Å; T244-M246 PolarHBondContact OG1-N 3.36Å; T244-G247 PolarHBondContact O-N 3.39Å; T244-L248 WeakPolarHBondContact CB-O 3.31Å; T244-L248 WeakPolarHBondContact CG2-O 3.34Å; T244-L248 PolarHBondContact N-O 3.25Å; T244-L248 PolarHBondContact OG1-N 2.76Å; T244-L248 VanDerWaalsContact OG1-N 3.11Å; T244-L248 PolarHBondContact OG1-O 3.33Å; T244-I250 HydrophobicContact CG2-CD1 3.9Å; T244-I250 HydrophobicContact CG2-CG1 3.75Å | ||
| 245 | E | 87.2 | Confident | 80.2 | Confident | 195 Ų | 195 | 60.2 Ų | 60.2 | 91% | 0.911 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -23.8 | 173.4 | -62.2 | -178.9 | 175 | 0 | 0 | 112.9 | ||
| 246 | M | 89.1 | Confident | 81.5 | Confident | 72 Ų | 72 | 53.7 Ų | 53.7 | 36% | 0.355 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 5.6 | 179.5 | -57.7 | -61.2 | -70.2 | 0 | 0 | 113.7 | T244 L248 W291 N292 | T244-M246 PolarHBondContact O-N 2.89Å; T244-M246 PolarHBondContact OG1-N 3.36Å; M246-L248 VanDerWaalsContact C-N 3.31Å; M246-L248 PolarHBondContact O-N 3.47Å; M246-W291 HydrophobicContact CB-CE3 3.89Å; M246-W291 HydrophobicContact CB-CH2 4.3Å; M246-W291 HydrophobicContact CB-CZ3 3.49Å; M246-W291 VanDerWaalsContact CB-CZ3 3.49Å; M246-W291 HydrophobicContact CE-CE3 4.48Å; M246-W291 HydrophobicContact CE-CH2 3.4Å; M246-W291 VanDerWaalsContact CE-CH2 3.4Å; M246-W291 HydrophobicContact CE-CZ2 3.83Å; M246-W291 HydrophobicContact CE-CZ3 3.79Å; M246-W291 HydrophobicContact CG-CH2 4.41Å; M246-W291 HydrophobicContact CG-CZ3 4.02Å; M246-N292 PolarHBondContact O-N 3.48Å |
| 247 | G | 89.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 83.7 | -5.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | T244 E290 | T244-G247 PolarHBondContact O-N 3.39Å; G247-E290 WeakPolarHBondContact CA-O 3.48Å |
| 248 | L | 92.5 | Very high | 85 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | trans | -76.3 | 155.3 | 172.7 | -57.4 | 175.7 | 0 | 0 | 0 | 111.2 | I232 E243 T244 M246 W291 F323 M325 N333 F334 | I232-L248 HydrophobicContact CD1-CB 3.65Å; I232-L248 HydrophobicContact CD1-CD1 3.96Å; I232-L248 HydrophobicContact CD1-CG 4.36Å; E243-L248 CarbonylContact C-O 3.44Å; E243-L248 WeakPolarHBondContact CA-O 3.19Å; T244-L248 WeakPolarHBondContact CB-O 3.31Å; T244-L248 WeakPolarHBondContact CG2-O 3.34Å; T244-L248 PolarHBondContact N-O 3.25Å; T244-L248 PolarHBondContact OG1-N 2.76Å; T244-L248 VanDerWaalsContact OG1-N 3.11Å; T244-L248 PolarHBondContact OG1-O 3.33Å; M246-L248 VanDerWaalsContact C-N 3.31Å; M246-L248 PolarHBondContact O-N 3.47Å; L248-W291 HydrophobicContact CD1-CE3 3.85Å; L248-W291 HydrophobicContact CD1-CZ3 3.87Å; L248-W291 HydrophobicContact CD2-CB 4.47Å; L248-W291 HydrophobicContact CD2-CE3 4.22Å; L248-W291 HydrophobicContact CG-CE3 3.89Å; L248-W291 HydrophobicContact CG-CZ3 4.32Å; L248-F323 HydrophobicContact CD2-CE2 3.9Å; L248-F323 HydrophobicContact CD2-CZ 3.61Å; L248-M325 HydrophobicContact CD1-CE 4.47Å; L248-N333 HydrophobicContact CD1-CB 3.7Å; L248-F334 HydrophobicContact CD1-CE2 4.01Å; L248-F334 HydrophobicContact CD1-CZ 4.45Å; L248-F334 HydrophobicContact CD2-CE2 4.4Å; L248-F334 HydrophobicContact CD2-CZ 4.24Å | ||
| 249 | V | 90.1 | Very high | 87 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 123.8 | -177.3 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | E241 M242 H252 Y254 W286 | E241-V249 HydrophobicContact CB-CG1 4.15Å; M242-V249 CarbonylContact O-C 3.46Å; M242-V249 WeakPolarHBondContact O-CA 3.4Å; V249-H252 HydrophobicContact CB-CB 3.89Å; V249-H252 HydrophobicContact CG1-CB 3.73Å; V249-Y254 WeakPolarHBondContact CB-OH 3.04Å; V249-Y254 WeakPolarHBondContact CG2-OH 3.37Å; V249-Y254 PolarHBondContact N-OH 3.27Å; V249-W286 HydrophobicContact CG1-CH2 3.69Å; V249-W286 HydrophobicContact CG1-CZ2 4.33Å; V249-W286 HydrophobicContact CG1-CZ3 4.15Å; V249-W286 HydrophobicContact CG2-CE3 4.28Å; V249-W286 HydrophobicContact CG2-CH2 4.09Å; V249-W286 HydrophobicContact CG2-CZ3 3.66Å |
| 250 | I | 89.4 | Confident | 88.7 | Confident | 30 Ų | 30 | 43.3 Ų | 43.3 | 15% | 0.154 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 145.3 | 172.9 | -55 | -178.6 | 0 | 0 | 0 | 109 | I232 A234 E241 M242 T244 H252 | I232-I250 HydrophobicContact CG2-CB 4.41Å; I232-I250 HydrophobicContact CG2-CG1 3.93Å; I232-I250 HydrophobicContact CG2-CG2 4.37Å; A234-I250 HydrophobicContact CB-CG2 3.6Å; E241-I250 VanDerWaalsContact CA-O 3.26Å; E241-I250 WeakPolarHBondContact CA-O 3.25Å; M242-I250 HydrophobicContact CE-CD1 3.85Å; M242-I250 PolarHBondContact N-O 3.28Å; M242-I250 PolarHBondContact O-N 3.36Å; T244-I250 HydrophobicContact CG2-CD1 3.9Å; T244-I250 HydrophobicContact CG2-CG1 3.75Å; I250-H252 VanDerWaalsContact C-N 3.31Å |
| 251 | G | 85.5 | Confident | 89.9 | Confident | 34 Ų | 34 | 40.8 Ų | 40.8 | 35% | 0.351 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 15.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I232 | I232-G251 PolarHBondContact O-N 3.14Š|
| 252 | H | 87.3 | Confident | 90.2 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | trans | -127.7 | 146.7 | -169.4 | -168.8 | 55.5 | 0 | 0 | 0 | 112.9 | C81 S231 E241 V249 I250 Y254 N284 P285 W286 | C81-H252 WeakPolarHBondContact CB-CE1 3.1Å; C81-H252 WeakPolarHBondContact CB-ND1 3.39Å; S231-H252 WeakPolarHBondContact CA-O 3.14Å; S231-H252 VanDerWaalsContact CB-O 3.3Å; S231-H252 WeakPolarHBondContact CB-O 3.27Å; E241-H252 IonicContact OE1-ND1 3.74Å; V249-H252 HydrophobicContact CB-CB 3.89Å; V249-H252 HydrophobicContact CG1-CB 3.73Å; I250-H252 VanDerWaalsContact C-N 3.31Å; H252-Y254 HydrophobicContact CB-CE2 4.25Å; H252-Y254 AromaticContact CD2-CE2 3.76Å; H252-Y254 AromaticContact CD2-CZ 3.84Å; H252-N284 PolarHBondContact NE2-OD1 2.92Å; H252-P285 WeakPolarHBondContact NE2-CD 3.49Å; H252-W286 AromaticContact CE1-CD1 3.7Å; H252-W286 AromaticContact CE1-CE2 3.73Å; H252-W286 AromaticContact CE1-NE1 3.33Å; H252-W286 PolarHBondContact CE1-NE1 2.62Å; H252-W286 VanDerWaalsContact CE1-NE1 3.33Å; H252-W286 AromaticContact NE2-CD1 4Å; H252-W286 AromaticContact NE2-NE1 3.91Å | ||
| 253 | A | 90.9 | Very high | 89.9 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 134.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | W82 A85 A182 P285 | W82-A253 HydrophobicContact CB-CB 4.44Å; A85-A253 HydrophobicContact CB-CB 3.84Å; A182-A253 HydrophobicContact CB-CB 4.43Å; A253-P285 WeakPolarHBondContact O-CD 3.38Å; A253-P285 WeakPolarHBondContact O-CG 3.17Å |
| 254 | Y | 93.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 147.6 | 174.6 | -70.4 | -97.6 | 0 | 0 | 0 | 110.3 | S229 C230 V249 H252 N284 F323 F334 | S229-Y254 CarbonylContact C-O 3.44Å; S229-Y254 VanDerWaalsContact CA-O 3.22Å; S229-Y254 WeakPolarHBondContact CA-O 3.36Å; S229-Y254 WeakPolarHBondContact CB-O 3.46Å; C230-Y254 PolarHBondContact N-O 2.75Å; C230-Y254 PolarHBondContact O-N 3.17Å; V249-Y254 WeakPolarHBondContact CB-OH 3.04Å; V249-Y254 WeakPolarHBondContact CG2-OH 3.37Å; V249-Y254 PolarHBondContact N-OH 3.27Å; H252-Y254 HydrophobicContact CB-CE2 4.25Å; H252-Y254 AromaticContact CD2-CE2 3.76Å; H252-Y254 AromaticContact CD2-CZ 3.84Å; Y254-N284 HydrophobicContact CD1-CB 4.16Å; Y254-N284 HydrophobicContact CE1-CB 3.74Å; Y254-F323 HydrophobicContact CD1-CE1 4.2Å; Y254-F323 HydrophobicContact CD1-CZ 4.11Å; Y254-F323 AromaticContact CE1-CE1 3.95Å; Y254-F323 HydrophobicContact CE1-CE1 3.95Å; Y254-F323 AromaticContact CE1-CZ 3.95Å; Y254-F323 HydrophobicContact CE1-CZ 3.95Å; Y254-F334 AromaticContact CD2-CE1 3.76Å; Y254-F334 HydrophobicContact CD2-CE1 3.76Å; Y254-F334 HydrophobicContact CD2-CZ 4.25Å; Y254-F334 HydrophobicContact CE2-CE1 4.36Å; Y254-F334 HydrophobicContact CG-CE1 4.09Å; Y254-F334 HydrophobicContact CG-CZ 4.36Å |
| 255 | S | 93.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 133.1 | 175.6 | -53.2 | 0 | 0 | 0 | 0 | 110.1 | A85 S88 T257 L282 R283 | A85-S255 VanDerWaalsContact CA-OG 3.29Å; A85-S255 WeakPolarHBondContact CA-OG 3.36Å; A85-S255 PolarHBondContact O-OG 2.91Å; S88-S255 WeakPolarHBondContact CB-OG 3.35Å; S255-T257 PolarHBondContact O-N 2.97Å; S255-L282 CarbonylContact O-C 3.45Å; S255-L282 VanDerWaalsContact O-CA 3.23Å; S255-L282 WeakPolarHBondContact O-CA 3.39Å; S255-R283 PolarHBondContact N-O 3.06Å; S255-R283 PolarHBondContact O-N 2.94Å |
| 256 | V | 94.8 | Very high | 86.5 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 111.6 | 171.6 | -178.8 | 0 | 0 | 0 | 0 | 109 | I228 I259 I280 R281 L282 | I228-V256 HydrophobicContact CB-CB 3.94Å; I228-V256 HydrophobicContact CB-CG2 4.05Å; I228-V256 HydrophobicContact CG2-CB 4.06Å; I228-V256 HydrophobicContact CG2-CG2 3.6Å; I228-V256 WeakPolarHBondContact O-CB 3.43Å; I228-V256 PolarHBondContact O-N 2.74Å; V256-I259 HydrophobicContact CG1-CD1 4.06Å; V256-I259 HydrophobicContact CG1-CG1 3.76Å; V256-I280 HydrophobicContact CG1-CD1 3.81Å; V256-I280 HydrophobicContact CG1-CG1 3.75Å; V256-I280 HydrophobicContact CG2-CD1 4.02Å; V256-R281 WeakPolarHBondContact CA-O 3.35Å; V256-L282 HydrophobicContact CB-CD2 4.32Å; V256-L282 HydrophobicContact CG2-CD2 3.66Å |
| 257 | T | 92.1 | Very high | 84.5 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.043 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -27.2 | -175.8 | 67.6 | 0 | 0 | 0 | 0 | 112.7 | L92 H222 S255 R281 R283 E322 | L92-T257 HydrophobicContact CD1-CG2 4.11Å; H222-T257 PolarHBondContact NE2-O 2.87Å; S255-T257 PolarHBondContact O-N 2.97Å; T257-R281 PolarHBondContact N-O 3.27Å; T257-R281 PolarHBondContact OG1-NE 2.75Å; T257-R283 HydrophobicContact CG2-CB 3.75Å; T257-E322 VanDerWaalsContact CB-OE1 3.24Å; T257-E322 WeakPolarHBondContact CB-OE1 3.25Å; T257-E322 WeakPolarHBondContact CG2-OE1 3.39Å; T257-E322 PolarHBondContact OG1-OE1 2.76Å |
| 258 | A | 92.3 | Very high | 82.2 | Confident | 5 Ų | 5 | 54 Ų | 54 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 149.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I280 R281 W324 | A258-I280 WeakPolarHBondContact O-CA 3.36Å; A258-R281 HydrophobicContact CB-CB 3.84Å; A258-R281 PolarHBondContact N-O 2.78Å; A258-R281 PolarHBondContact O-N 2.79Å; A258-W324 HydrophobicContact CB-CH2 3.64Å; A258-W324 HydrophobicContact CB-CZ2 4.14Å; A258-W324 HydrophobicContact CB-CZ3 4.39Å |
| 259 | I | 94.6 | Very high | 79.8 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 124 | 171.6 | -55.6 | 175.8 | 0 | 0 | 0 | 107.9 | F215 L218 L219 H222 I228 V256 I280 | F215-I259 HydrophobicContact CD2-CG2 4.04Å; F215-I259 HydrophobicContact CE2-CG2 3.42Å; F215-I259 VanDerWaalsContact CE2-CG2 3.42Å; F215-I259 HydrophobicContact CZ-CG2 3.79Å; L218-I259 HydrophobicContact CB-CD1 3.53Å; L219-I259 HydrophobicContact CB-CG2 3.93Å; L219-I259 HydrophobicContact CD1-CB 4.18Å; L219-I259 HydrophobicContact CD1-CG2 4.04Å; L219-I259 VanDerWaalsContact CD1-O 3.3Å; L219-I259 WeakPolarHBondContact CD1-O 3.36Å; H222-I259 HydrophobicContact CB-CD1 4.01Å; H222-I259 HydrophobicContact CB-CG1 4.45Å; I228-I259 HydrophobicContact CD1-CD1 3.8Å; V256-I259 HydrophobicContact CG1-CD1 4.06Å; V256-I259 HydrophobicContact CG1-CG1 3.76Å; I259-I280 HydrophobicContact CG1-CG1 4.29Å |
| 260 | R | 92.3 | Very high | 77.3 | Confident | 99 Ų | 99 | 68.5 Ų | 68.5 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 146.8 | -171.6 | -64 | -65.4 | -179.7 | -94.8 | 0.8 | 112.7 | V262 M279 L313 W324 | R260-V262 HydrophobicContact CB-CG2 4.39Å; R260-M279 PolarHBondContact N-O 3.29Å; R260-M279 PolarHBondContact O-N 3.3Å; R260-L313 HydrophobicContact CB-CD2 3.92Å; R260-L313 HydrophobicContact CG-CD2 3.85Å; R260-W324 HydrophobicContact CB-CH2 4.22Å; R260-W324 HydrophobicContact CB-CZ3 4.33Å; R260-W324 HydrophobicContact CG-CH2 3.79Å; R260-W324 HydrophobicContact CG-CZ3 4.35Å |
| 261 | K | 91.2 | Very high | 75.1 | Confident | 74 Ų | 74 | 71 Ų | 71 | 32% | 0.322 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 110.6 | 164.9 | -63.4 | 178.8 | -176.4 | 171 | 0 | 107.5 | F215 E216 L219 L277 F278 | F215-K261 HydrophobicContact CE1-CD 4.29Å; F215-K261 HydrophobicContact CE1-CG 3.66Å; F215-K261 HydrophobicContact CZ-CG 3.96Å; E216-K261 VanDerWaalsContact OE1-CE 3.27Å; E216-K261 WeakPolarHBondContact OE1-CE 3.38Å; E216-K261 IonicContact OE1-NZ 3.36Å; E216-K261 PolarHBondContact OE1-NZ 2.63Å; E216-K261 IonicContact OE2-NZ 3.05Å; E216-K261 PolarHBondContact OE2-NZ 2.9Å; L219-K261 HydrophobicContact CD2-CD 4.44Å; L219-K261 HydrophobicContact CD2-CG 4.47Å; K261-L277 CarbonylContact C-O 3.6Å; K261-L277 WeakPolarHBondContact CA-O 3.27Å; K261-F278 HydrophobicContact CD-CE1 4.19Å; K261-F278 HydrophobicContact CG-CD1 3.94Å; K261-F278 HydrophobicContact CG-CE1 4.01Å |
| 262 | V | 86.4 | Confident | 73.1 | Confident | 1 Ų | 1 | 79.9 Ų | 79.9 | 1% | 0.006 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 139.7 | -178.8 | -177 | 0 | 0 | 0 | 0 | 109.3 | R260 K276 L277 M279 V305 E309 L313 | R260-V262 HydrophobicContact CB-CG2 4.39Å; V262-K276 WeakPolarHBondContact O-CA 3.27Å; V262-L277 HydrophobicContact CB-CB 4.42Å; V262-L277 PolarHBondContact N-O 3.14Å; V262-L277 PolarHBondContact O-N 3.47Å; V262-M279 HydrophobicContact CB-CG 4.2Å; V262-M279 HydrophobicContact CG2-CB 4.08Å; V262-M279 HydrophobicContact CG2-CG 3.61Å; V262-V305 HydrophobicContact CG1-CG1 4.35Å; V262-V305 HydrophobicContact CG1-CG2 4.24Å; V262-E309 HydrophobicContact CG1-CG 4.1Å; V262-L313 HydrophobicContact CG1-CD1 4.23Å; V262-L313 HydrophobicContact CG2-CD1 3.79Å; V262-L313 HydrophobicContact CG2-CD2 3.89Å; V262-L313 HydrophobicContact CG2-CG 4.46Å |
| 263 | R | 79.6 | Confident | 71.1 | Confident | 170 Ų | 170 | 88.8 Ų | 88.8 | 64% | 0.642 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 127.5 | 172.3 | -64.7 | -178.1 | -175.5 | 175.4 | 0.6 | 108.8 | ||
| 264 | L | 75.3 | Confident | 69.3 | Low | 50 Ų | 50 | 91.8 Ų | 91.8 | 26% | 0.262 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 143.3 | 170.4 | -60.7 | 173.7 | 0 | 0 | 0 | 109.1 | L277 W295 K304 V305 | L264-L277 HydrophobicContact CD2-CD2 4.41Å; L264-W295 HydrophobicContact CD2-CH2 3.74Å; L264-W295 HydrophobicContact CD2-CZ2 4.24Å; L264-K304 HydrophobicContact CD2-CB 4.43Å; L264-V305 HydrophobicContact CD2-CG2 4.01Å |
| 265 | G | 62.9 | Low | 67.9 | Low | 49 Ų | 49 | 98.6 Ų | 98.6 | 51% | 0.505 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 162.1 | -161.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | R267 K304 | G265-R267 PolarHBondContact O-N 2.7Å; G265-K304 PolarHBondContact N-O 2.8Å |
| 266 | E | 53.8 | Low | 67.1 | Low | 207 Ų | 207 | 104.7 Ų | 104.7 | 97% | 0.967 | 51% | 0.508 | S | S | * | . | trans | -72 | 29.3 | -173.6 | -65.6 | 175.9 | 151.1 | 0 | 0 | 116.4 | L268 | E266-L268 PolarHBondContact O-N 3.18Š| ||
| 267 | R | 46.8 | Very low | 66.8 | Low | 232 Ų | 232 | 106.4 Ų | 106.4 | 88% | 0.875 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -86.7 | 96.1 | 176.2 | -88.2 | -176.2 | 170.1 | 179.8 | -2.9 | 111.1 | G265 | G265-R267 PolarHBondContact O-N 2.7Š|
| 268 | L | 42.2 | Very low | 66.9 | Low | 162 Ų | 162 | 108.5 Ų | 108.5 | 85% | 0.848 | 53% | 0.525 | S | S | * | . | trans | 45.6 | 73 | 154.1 | -85.6 | 152.9 | 0 | 0 | 0 | 115.4 | E266 | E266-L268 PolarHBondContact O-N 3.18Š| ||
| 269 | I | 41.9 | Very low | 67 | Low | 132 Ų | 132 | 108.2 Ų | 108.2 | 68% | 0.677 | 52% | 0.523 | S | S | * | . | trans | -121.2 | 112.1 | 152.8 | -58.3 | 175.2 | 0 | 0 | 0 | 107 | S271 | I269-S271 PolarHBondContact O-N 2.76Š| ||
| 270 | L | 38.1 | Very low | 67 | Low | 172 Ų | 172 | 108.2 Ų | 108.2 | 90% | 0.901 | 52% | 0.523 | S | S | * | . | trans | -66.1 | 43.7 | 168.5 | -85.8 | 152.1 | 0 | 0 | 0 | 111.3 | ||||
| 271 | S | 43.7 | Very low | 67.2 | Low | 82 Ų | 82 | 105.4 Ų | 105.4 | 57% | 0.573 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -141.1 | 121.2 | 177.4 | -52.9 | 0 | 0 | 0 | 0 | 108.5 | I269 K273 | I269-S271 PolarHBondContact O-N 2.76Å; S271-K273 PolarHBondContact O-N 2.83Å |
| 272 | F | 42.5 | Very low | 67.3 | Low | 222 Ų | 222 | 101.9 Ų | 101.9 | 97% | 0.974 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -69.1 | 43.6 | -171.2 | -76.2 | -91.2 | 0 | 0 | 0 | 115.4 | ||
| 273 | K | 44.4 | Very low | 67.5 | Low | 189 Ų | 189 | 101.8 Ų | 101.8 | 82% | 0.822 | 50% | 0.497 | S | S | * | . | trans | -143.1 | 102.1 | 169.6 | -84 | -176.8 | 177.7 | 173.5 | 0 | 110.6 | S271 E275 | S271-K273 PolarHBondContact O-N 2.83Å; K273-E275 PolarHBondContact O-N 2.72Å | ||
| 274 | A | 54.9 | Low | 68 | Low | 73 Ų | 73 | 93.7 Ų | 93.7 | 60% | 0.603 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 121.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | K276 | A274-K276 PolarHBondContact O-N 2.93Š|
| 275 | E | 63.1 | Low | 68.3 | Low | 143 Ų | 143 | 91.3 Ų | 91.3 | 67% | 0.668 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 126.7 | 172.5 | -71.8 | -175.9 | 167 | 0 | 0 | 109.5 | K273 | K273-E275 PolarHBondContact O-N 2.72Š|
| 276 | K | 76.9 | Confident | 69.2 | Low | 128 Ų | 128 | 91 Ų | 91 | 56% | 0.557 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 118.7 | 175.3 | -67.6 | 179.1 | -175.7 | 172.2 | 0 | 107.8 | V262 A274 F278 | V262-K276 WeakPolarHBondContact O-CA 3.27Å; A274-K276 PolarHBondContact O-N 2.93Å; K276-F278 HydrophobicContact CB-CE1 4.2Å |
| 277 | L | 88 | Confident | 70.4 | Confident | 37 Ų | 37 | 81.7 Ų | 81.7 | 19% | 0.194 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 131 | 173.7 | -171.4 | 65.8 | 0 | 0 | 0 | 109.5 | K261 V262 L264 M279 W295 T326 | K261-L277 CarbonylContact C-O 3.6Å; K261-L277 WeakPolarHBondContact CA-O 3.27Å; V262-L277 HydrophobicContact CB-CB 4.42Å; V262-L277 PolarHBondContact N-O 3.14Å; V262-L277 PolarHBondContact O-N 3.47Å; L264-L277 HydrophobicContact CD2-CD2 4.41Å; L277-M279 HydrophobicContact CD2-CG 4.05Å; L277-M279 HydrophobicContact CD2-SD 3.46Å; L277-M279 WeakPolarHBondContact CD2-SD 3.31Å; L277-M279 HydrophobicContact CG-CG 4.02Å; L277-M279 HydrophobicContact CG-SD 3.73Å; L277-W295 HydrophobicContact CD2-CD2 4.25Å; L277-W295 HydrophobicContact CD2-CH2 3.85Å; L277-W295 HydrophobicContact CD2-CZ2 3.33Å; L277-W295 HydrophobicContact CD2-CZ3 4.48Å; L277-T326 HydrophobicContact CD1-CG2 4.2Å |
| 278 | F | 93.3 | Very high | 72 | Confident | 51 Ų | 51 | 75.7 Ų | 75.7 | 22% | 0.224 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 116.7 | 176.8 | -61.3 | -22.3 | 0 | 0 | 0 | 109 | I212 F215 K261 K276 F327 | I212-F278 HydrophobicContact CG1-CE2 4.15Å; F215-F278 HydrophobicContact CD1-CB 4.36Å; F215-F278 HydrophobicContact CD1-CD1 4.16Å; F215-F278 HydrophobicContact CD1-CD2 4.19Å; F215-F278 AromaticContact CD1-CG 3.97Å; F215-F278 HydrophobicContact CD1-CG 3.97Å; F215-F278 HydrophobicContact CD2-CB 3.87Å; F215-F278 HydrophobicContact CD2-CG 4.35Å; F215-F278 HydrophobicContact CE1-CB 4.16Å; F215-F278 AromaticContact CE1-CD1 3.7Å; F215-F278 HydrophobicContact CE1-CD1 3.7Å; F215-F278 HydrophobicContact CE1-CE1 4.24Å; F215-F278 AromaticContact CE1-CG 3.86Å; F215-F278 HydrophobicContact CE1-CG 3.86Å; F215-F278 HydrophobicContact CE2-CB 3.63Å; F215-F278 HydrophobicContact CE2-CG 4.24Å; F215-F278 HydrophobicContact CG-CB 4.21Å; F215-F278 HydrophobicContact CG-CD2 4.32Å; F215-F278 HydrophobicContact CG-CG 4.21Å; F215-F278 HydrophobicContact CZ-CB 3.79Å; F215-F278 AromaticContact CZ-CD1 3.97Å; F215-F278 HydrophobicContact CZ-CD1 3.97Å; F215-F278 AromaticContact CZ-CG 4Å; F215-F278 HydrophobicContact CZ-CG 4Å; K261-F278 HydrophobicContact CD-CE1 4.19Å; K261-F278 HydrophobicContact CG-CD1 3.94Å; K261-F278 HydrophobicContact CG-CE1 4.01Å; K276-F278 HydrophobicContact CB-CE1 4.2Å; F278-F327 HydrophobicContact CB-CB 3.9Å; F278-F327 PolarHBondContact O-N 2.85Å |
| 279 | M | 94.4 | Very high | 73.9 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 143.5 | -171.2 | -65.7 | -64.7 | -70.9 | 0 | 0 | 110.5 | R260 V262 L277 W295 W302 W324 T326 | R260-M279 PolarHBondContact N-O 3.29Å; R260-M279 PolarHBondContact O-N 3.3Å; V262-M279 HydrophobicContact CB-CG 4.2Å; V262-M279 HydrophobicContact CG2-CB 4.08Å; V262-M279 HydrophobicContact CG2-CG 3.61Å; L277-M279 HydrophobicContact CD2-CG 4.05Å; L277-M279 HydrophobicContact CD2-SD 3.46Å; L277-M279 WeakPolarHBondContact CD2-SD 3.31Å; L277-M279 HydrophobicContact CG-CG 4.02Å; L277-M279 HydrophobicContact CG-SD 3.73Å; M279-W295 HydrophobicContact CE-CB 3.8Å; M279-W295 HydrophobicContact CE-CD2 4.08Å; M279-W295 HydrophobicContact CE-CE3 4.26Å; M279-W295 HydrophobicContact CE-CG 3.89Å; M279-W295 HydrophobicContact SD-CD2 4.49Å; M279-W295 HydrophobicContact SD-CG 4.43Å; M279-W302 HydrophobicContact CE-CH2 3.95Å; M279-W302 HydrophobicContact CE-CZ2 4.23Å; M279-W324 HydrophobicContact CB-CE3 3.81Å; M279-W324 HydrophobicContact CB-CZ3 3.81Å; M279-W324 HydrophobicContact CE-CB 4.01Å; M279-W324 HydrophobicContact CE-CE3 4.26Å; M279-T326 HydrophobicContact SD-CG2 4.19Å |
| 280 | I | 95.9 | Very high | 76.2 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.3 | 174.2 | -171.4 | 165.7 | 0 | 0 | 0 | 108.9 | V256 A258 I259 L282 M325 F327 W330 | V256-I280 HydrophobicContact CG1-CD1 3.81Å; V256-I280 HydrophobicContact CG1-CG1 3.75Å; V256-I280 HydrophobicContact CG2-CD1 4.02Å; A258-I280 WeakPolarHBondContact O-CA 3.36Å; I259-I280 HydrophobicContact CG1-CG1 4.29Å; I280-L282 HydrophobicContact CD1-CD2 4.35Å; I280-L282 HydrophobicContact CG1-CD2 4.31Å; I280-M325 HydrophobicContact CG2-CG 3.8Å; I280-M325 PolarHBondContact N-O 3.49Å; I280-M325 PolarHBondContact O-N 2.9Å; I280-F327 HydrophobicContact CB-CD2 4.39Å; I280-F327 HydrophobicContact CD1-CD2 4.43Å; I280-F327 HydrophobicContact CD1-CE2 4.43Å; I280-F327 HydrophobicContact CG2-CD2 4.44Å; I280-W330 HydrophobicContact CD1-CD2 4.19Å; I280-W330 HydrophobicContact CD1-CG 4.3Å; I280-W330 HydrophobicContact CG2-CB 3.76Å; I280-W330 HydrophobicContact CG2-CG 3.92Å |
| 281 | R | 94.9 | Very high | 78.7 | Confident | 39 Ų | 39 | 59.8 Ų | 59.8 | 15% | 0.147 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 131.6 | 174.9 | -164.8 | 173.2 | 63.8 | 169.3 | 18.1 | 109.4 | V256 T257 A258 L313 G314 E322 F323 W324 | V256-R281 WeakPolarHBondContact CA-O 3.35Å; T257-R281 PolarHBondContact N-O 3.27Å; T257-R281 PolarHBondContact OG1-NE 2.75Å; A258-R281 HydrophobicContact CB-CB 3.84Å; A258-R281 PolarHBondContact N-O 2.78Å; A258-R281 PolarHBondContact O-N 2.79Å; R281-L313 PolarHBondContact NH1-O 2.98Å; R281-G314 PolarHBondContact NH1-O 2.78Å; R281-E322 WeakPolarHBondContact CD-OE2 3.36Å; R281-E322 HydrophobicContact CG-CG 3.71Å; R281-E322 IonicContact CZ-OE1 2.57Å; R281-E322 IonicContact CZ-OE2 3.83Å; R281-E322 VanDerWaalsContact NE-CD 3.3Å; R281-E322 IonicContact NE-OE1 3.96Å; R281-E322 PolarHBondContact NE-OE1 2.85Å; R281-E322 IonicContact NE-OE2 2.92Å; R281-E322 PolarHBondContact NE-OE2 2.74Å; R281-E322 VanDerWaalsContact NE-OE2 3.1Å; R281-E322 IonicContact NH1-OE2 3.27Å; R281-E322 PolarHBondContact NH1-OE2 2.79Å; R281-E322 IonicContact NH2-OE1 2.85Å; R281-E322 PolarHBondContact NH2-OE1 2.9Å; R281-E322 IonicContact NH2-OE2 2.78Å; R281-E322 PolarHBondContact NH2-OE2 3.5Å; R281-F323 WeakPolarHBondContact CA-O 3.36Å; R281-F323 WeakPolarHBondContact CG-O 2.94Å; R281-W324 HydrophobicContact CB-CD2 3.71Å; R281-W324 HydrophobicContact CB-CE3 3.7Å; R281-W324 HydrophobicContact CB-CG 4.34Å; R281-W324 HydrophobicContact CB-CH2 3.87Å; R281-W324 HydrophobicContact CB-CZ2 3.87Å; R281-W324 HydrophobicContact CB-CZ3 3.79Å; R281-W324 VanDerWaalsContact CD-CE2 3.44Å; R281-W324 HydrophobicContact CG-CD2 3.95Å; R281-W324 HydrophobicContact CG-CE3 4.45Å; R281-W324 HydrophobicContact CG-CG 4.15Å; R281-W324 HydrophobicContact CG-CZ2 4.24Å |
| 282 | L | 94 | Very high | 81 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 153.8 | -177.1 | -62.2 | 174.7 | 0 | 0 | 0 | 109.8 | C230 S255 V256 I280 E322 F323 M325 F334 | C230-L282 VanDerWaalsContact SG-CD2 3.57Å; S255-L282 CarbonylContact O-C 3.45Å; S255-L282 VanDerWaalsContact O-CA 3.23Å; S255-L282 WeakPolarHBondContact O-CA 3.39Å; V256-L282 HydrophobicContact CB-CD2 4.32Å; V256-L282 HydrophobicContact CG2-CD2 3.66Å; I280-L282 HydrophobicContact CD1-CD2 4.35Å; I280-L282 HydrophobicContact CG1-CD2 4.31Å; L282-E322 CarbonylContact O-C 3.53Å; L282-E322 VanDerWaalsContact O-CA 3.26Å; L282-E322 WeakPolarHBondContact O-CA 3.31Å; L282-F323 HydrophobicContact CB-CD2 4.41Å; L282-F323 HydrophobicContact CB-CE1 4.24Å; L282-F323 HydrophobicContact CB-CE2 3.9Å; L282-F323 HydrophobicContact CB-CZ 3.8Å; L282-F323 HydrophobicContact CD1-CE2 3.73Å; L282-F323 HydrophobicContact CD1-CZ 3.94Å; L282-F323 HydrophobicContact CG-CE2 4.32Å; L282-F323 PolarHBondContact N-O 2.94Å; L282-F323 PolarHBondContact O-N 3.48Å; L282-M325 HydrophobicContact CD1-SD 4.08Å; L282-F334 HydrophobicContact CD1-CE1 4.21Å; L282-F334 HydrophobicContact CD1-CE2 3.63Å; L282-F334 HydrophobicContact CD1-CZ 3.37Å |
| 283 | R | 90.9 | Very high | 83.3 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 130 | 168.5 | -175 | -177.1 | -178 | -92.4 | -10.9 | 110.7 | S70 L73 S88 S255 T257 P285 G321 | S70-R283 PolarHBondContact O-NE 2.86Å; S70-R283 PolarHBondContact O-NH1 2.77Å; S70-R283 PolarHBondContact O-NH2 2.83Å; L73-R283 PolarHBondContact O-NH1 3.24Å; L73-R283 PolarHBondContact O-NH2 3.43Å; S88-R283 PolarHBondContact OG-NH1 3.35Å; S255-R283 PolarHBondContact N-O 3.06Å; S255-R283 PolarHBondContact O-N 2.94Å; T257-R283 HydrophobicContact CG2-CB 3.75Å; R283-P285 WeakPolarHBondContact O-CD 3.48Å; R283-G321 CarbonylContact C-O 3.2Å; R283-G321 WeakPolarHBondContact CA-O 3.35Å |
| 284 | N | 89.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -80 | 120.5 | 168.3 | -170.3 | -24.4 | 0 | 0 | 0 | 110.1 | H252 Y254 W286 G287 K288 R289 G321 | H252-N284 PolarHBondContact NE2-OD1 2.92Å; Y254-N284 HydrophobicContact CD1-CB 4.16Å; Y254-N284 HydrophobicContact CE1-CB 3.74Å; N284-W286 PolarHBondContact O-N 2.9Å; N284-W286 WeakPolarHBondContact OD1-CB 3.3Å; N284-W286 PolarHBondContact OD1-N 3.37Å; N284-G287 PolarHBondContact O-N 3.19Å; N284-K288 VanDerWaalsContact CG-O 3.28Å; N284-K288 PolarHBondContact ND2-O 2.62Å; N284-R289 PolarHBondContact ND2-O 2.76Å; N284-G321 PolarHBondContact N-O 3.14Å | ||
| 285 | P | 82.3 | Confident | 87.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -16.3 | 175.7 | -27.3 | 33.8 | 0 | 0 | 0 | 116.4 | Q75 V84 A85 H252 A253 R283 G287 | Q75-P285 PolarHBondContact N-O 2.93Å; V84-P285 HydrophobicContact CB-CB 3.9Å; V84-P285 HydrophobicContact CG1-CB 3.73Å; A85-P285 HydrophobicContact CB-CG 3.71Å; H252-P285 WeakPolarHBondContact NE2-CD 3.49Å; A253-P285 WeakPolarHBondContact O-CD 3.38Å; A253-P285 WeakPolarHBondContact O-CG 3.17Å; R283-P285 WeakPolarHBondContact O-CD 3.48Å; P285-G287 PolarHBondContact O-N 2.88Å |
| 286 | W | 81.4 | Confident | 88.3 | Confident | 43 Ų | 43 | 35.2 Ų | 35.2 | 16% | 0.163 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -10.4 | 174.3 | -66.2 | -9.3 | 0 | 0 | 0 | 113.6 | H74 E241 V249 H252 N284 K288 | H74-W286 PolarHBondContact CD2-O 3.33Å; E241-W286 HydrophobicContact CB-CH2 4.3Å; E241-W286 HydrophobicContact CB-CZ2 4.32Å; E241-W286 HydrophobicContact CG-CZ2 4.41Å; E241-W286 WeakPolarHBondContact OE2-CZ2 3.39Å; V249-W286 HydrophobicContact CG1-CH2 3.69Å; V249-W286 HydrophobicContact CG1-CZ2 4.33Å; V249-W286 HydrophobicContact CG1-CZ3 4.15Å; V249-W286 HydrophobicContact CG2-CE3 4.28Å; V249-W286 HydrophobicContact CG2-CH2 4.09Å; V249-W286 HydrophobicContact CG2-CZ3 3.66Å; H252-W286 AromaticContact CE1-CD1 3.7Å; H252-W286 AromaticContact CE1-CE2 3.73Å; H252-W286 AromaticContact CE1-NE1 3.33Å; H252-W286 PolarHBondContact CE1-NE1 2.62Å; H252-W286 VanDerWaalsContact CE1-NE1 3.33Å; H252-W286 AromaticContact NE2-CD1 4Å; H252-W286 AromaticContact NE2-NE1 3.91Å; N284-W286 PolarHBondContact O-N 2.9Å; N284-W286 WeakPolarHBondContact OD1-CB 3.3Å; N284-W286 PolarHBondContact OD1-N 3.37Å; W286-K288 HydrophobicContact CB-CG 3.99Å; W286-K288 PolarHBondContact O-N 2.85Å |
| 287 | G | 78.9 | Confident | 88.7 | Confident | 10 Ų | 10 | 29.7 Ų | 29.7 | 10% | 0.103 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 65 | 23 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N284 P285 D320 | N284-G287 PolarHBondContact O-N 3.19Å; P285-G287 PolarHBondContact O-N 2.88Å; G287-D320 CarbonylContact C-O 3.53Å; G287-D320 VanDerWaalsContact CA-O 3.3Å; G287-D320 WeakPolarHBondContact CA-O 3.49Å; G287-D320 CarbonylContact O-C 3.55Å |
| 288 | K | 80.1 | Confident | 88.5 | Confident | 107 Ų | 107 | 34.4 Ų | 34.4 | 47% | 0.465 | 17% | 0.172 | S | C | . | . | trans | -165 | 172.3 | -179.3 | 62.2 | -173.1 | 174.2 | -170 | 0 | 110 | N284 W286 N319 | N284-K288 VanDerWaalsContact CG-O 3.28Å; N284-K288 PolarHBondContact ND2-O 2.62Å; W286-K288 HydrophobicContact CB-CG 3.99Å; W286-K288 PolarHBondContact O-N 2.85Å; K288-N319 WeakPolarHBondContact CA-OD1 3.46Å | ||
| 289 | R | 83.2 | Confident | 88.3 | Confident | 100 Ų | 100 | 32.6 Ų | 32.6 | 38% | 0.377 | 17% | 0.165 | S | C | . | . | trans | 64.1 | 95.2 | 179.5 | -61.9 | -176.9 | -173 | -170.8 | 10.3 | 111.6 | E243 N284 N319 | E243-R289 VanDerWaalsContact OE2-CD 3.26Å; E243-R289 WeakPolarHBondContact OE2-CD 3.26Å; E243-R289 IonicContact OE2-CZ 2.67Å; E243-R289 IonicContact OE2-NE 3.48Å; E243-R289 PolarHBondContact OE2-NE 2.86Å; E243-R289 IonicContact OE2-NH1 2.81Å; E243-R289 PolarHBondContact OE2-NH1 3.27Å; N284-R289 PolarHBondContact ND2-O 2.76Å; R289-N319 PolarHBondContact N-OD1 3.28Å | ||
| 290 | E | 89.6 | Confident | 88 | Confident | 22 Ų | 22 | 38.1 Ų | 38.1 | 10% | 0.103 | 19% | 0.191 | C | C | . | . | trans | -114.2 | 169.7 | -171 | -67.8 | 165.1 | -167.3 | 0 | 0 | 111.2 | G247 N292 N319 D320 G321 F323 | G247-E290 WeakPolarHBondContact CA-O 3.48Å; E290-N292 PolarHBondContact O-N 2.92Å; E290-N319 WeakPolarHBondContact OE1-CA 3.3Å; E290-D320 PolarHBondContact OE1-N 3.26Å; E290-G321 WeakPolarHBondContact OE1-CA 3.24Å; E290-G321 PolarHBondContact OE1-N 3.22Å; E290-F323 HydrophobicContact CB-CB 4.12Å; E290-F323 HydrophobicContact CB-CD1 3.87Å; E290-F323 HydrophobicContact CB-CG 4.23Å; E290-F323 HydrophobicContact CG-CB 4.34Å; E290-F323 HydrophobicContact CG-CD1 3.9Å | ||
| 291 | W | 91.9 | Very high | 87.5 | Confident | 9 Ų | 9 | 40.9 Ų | 40.9 | 3% | 0.034 | 20% | 0.204 | C | C | . | . | trans | -62.1 | 128.5 | 173.2 | 171.7 | -114.4 | 0 | 0 | 0 | 111.7 | M246 L248 G293 A294 S296 F323 M325 D329 | M246-W291 HydrophobicContact CB-CE3 3.89Å; M246-W291 HydrophobicContact CB-CH2 4.3Å; M246-W291 HydrophobicContact CB-CZ3 3.49Å; M246-W291 VanDerWaalsContact CB-CZ3 3.49Å; M246-W291 HydrophobicContact CE-CE3 4.48Å; M246-W291 HydrophobicContact CE-CH2 3.4Å; M246-W291 VanDerWaalsContact CE-CH2 3.4Å; M246-W291 HydrophobicContact CE-CZ2 3.83Å; M246-W291 HydrophobicContact CE-CZ3 3.79Å; M246-W291 HydrophobicContact CG-CH2 4.41Å; M246-W291 HydrophobicContact CG-CZ3 4.02Å; L248-W291 HydrophobicContact CD1-CE3 3.85Å; L248-W291 HydrophobicContact CD1-CZ3 3.87Å; L248-W291 HydrophobicContact CD2-CB 4.47Å; L248-W291 HydrophobicContact CD2-CE3 4.22Å; L248-W291 HydrophobicContact CG-CE3 3.89Å; L248-W291 HydrophobicContact CG-CZ3 4.32Å; W291-G293 VanDerWaalsContact NE1-C 3.27Å; W291-A294 PolarHBondContact NE1-O 3.38Å; W291-S296 WeakPolarHBondContact O-CB 3.29Å; W291-F323 HydrophobicContact CB-CB 4.38Å; W291-F323 HydrophobicContact CB-CD2 3.24Å; W291-F323 HydrophobicContact CB-CE2 3.52Å; W291-F323 HydrophobicContact CB-CG 3.85Å; W291-F323 HydrophobicContact CB-CZ 4.32Å; W291-F323 HydrophobicContact CG-CD2 4.24Å; W291-F323 HydrophobicContact CG-CE2 4.49Å; W291-M325 HydrophobicContact CB-CE 4.43Å; W291-M325 HydrophobicContact CD2-CE 3.32Å; W291-M325 HydrophobicContact CE3-CE 3.44Å; W291-M325 VanDerWaalsContact CE3-CE 3.44Å; W291-M325 HydrophobicContact CG-CE 3.81Å; W291-M325 HydrophobicContact CH2-CE 3.98Å; W291-M325 HydrophobicContact CZ2-CE 3.88Å; W291-M325 HydrophobicContact CZ3-CE 3.76Å; W291-D329 HydrophobicContact CZ2-CB 4.27Å | ||
| 292 | N | 90.4 | Very high | 87.2 | Confident | 111 Ų | 111 | 39.3 Ų | 39.3 | 59% | 0.594 | 20% | 0.198 | S | C | * | . | trans | -101.7 | 3.4 | 179.2 | -67.1 | -33.2 | 0 | 0 | 0 | 114 | M246 E290 | M246-N292 PolarHBondContact O-N 3.48Å; E290-N292 PolarHBondContact O-N 2.92Å | ||
| 293 | G | 90.6 | Very high | 86.7 | Confident | 14 Ų | 14 | 45.8 Ų | 45.8 | 14% | 0.144 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -87.8 | -158.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | W291 W295 S296 | W291-G293 VanDerWaalsContact NE1-C 3.27Å; G293-W295 PolarHBondContact O-N 3.38Å; G293-S296 WeakPolarHBondContact O-CB 3.27Å; G293-S296 PolarHBondContact O-N 3.35Å; G293-S296 PolarHBondContact O-OG 3.04Å |
| 294 | A | 89.3 | Confident | 86.3 | Confident | 34 Ų | 34 | 52.1 Ų | 52.1 | 28% | 0.281 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 137.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | W291 S296 E301 | W291-A294 PolarHBondContact NE1-O 3.38Å; A294-S296 PolarHBondContact O-N 2.93Å; A294-E301 WeakPolarHBondContact CB-OE1 3.22Å |
| 295 | W | 90.5 | Very high | 86 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 7% | 0.072 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 11.5 | -176.3 | -51.9 | 91.5 | 0 | 0 | 0 | 116.3 | L264 L277 M279 G293 S299 E301 W302 V305 W324 T326 | L264-W295 HydrophobicContact CD2-CH2 3.74Å; L264-W295 HydrophobicContact CD2-CZ2 4.24Å; L277-W295 HydrophobicContact CD2-CD2 4.25Å; L277-W295 HydrophobicContact CD2-CH2 3.85Å; L277-W295 HydrophobicContact CD2-CZ2 3.33Å; L277-W295 HydrophobicContact CD2-CZ3 4.48Å; M279-W295 HydrophobicContact CE-CB 3.8Å; M279-W295 HydrophobicContact CE-CD2 4.08Å; M279-W295 HydrophobicContact CE-CE3 4.26Å; M279-W295 HydrophobicContact CE-CG 3.89Å; M279-W295 HydrophobicContact SD-CD2 4.49Å; M279-W295 HydrophobicContact SD-CG 4.43Å; G293-W295 PolarHBondContact O-N 3.38Å; W295-S299 WeakPolarHBondContact CA-OG 3.41Å; W295-S299 PolarHBondContact N-OG 3.11Å; W295-E301 HydrophobicContact CD2-CB 3.85Å; W295-E301 HydrophobicContact CE3-CB 4Å; W295-E301 HydrophobicContact CG-CB 4.45Å; W295-E301 HydrophobicContact CH2-CB 4.03Å; W295-E301 WeakPolarHBondContact CH2-O 3.45Å; W295-E301 HydrophobicContact CZ2-CB 3.88Å; W295-E301 HydrophobicContact CZ3-CB 4.08Å; W295-E301 WeakPolarHBondContact CZ3-O 3.46Å; W295-W302 HydrophobicContact CB-CZ2 4.26Å; W295-W302 AromaticContact CE3-CD2 3.75Å; W295-W302 HydrophobicContact CE3-CD2 3.75Å; W295-W302 AromaticContact CE3-CE2 3.85Å; W295-W302 AromaticContact CE3-CE3 3.81Å; W295-W302 HydrophobicContact CE3-CE3 3.81Å; W295-W302 HydrophobicContact CE3-CG 4.34Å; W295-W302 HydrophobicContact CE3-CH2 4.08Å; W295-W302 HydrophobicContact CE3-CZ2 4Å; W295-W302 AromaticContact CE3-CZ3 3.98Å; W295-W302 HydrophobicContact CE3-CZ3 3.98Å; W295-W302 HydrophobicContact CZ3-CD2 4.08Å; W295-W302 AromaticContact CZ3-CE3 3.8Å; W295-W302 HydrophobicContact CZ3-CE3 3.8Å; W295-W302 HydrophobicContact CZ3-CZ3 4.11Å; W295-W302 PolarHBondContact O-NE1 2.84Å; W295-W302 VanDerWaalsContact O-NE1 3.11Å; W295-V305 HydrophobicContact CH2-CG2 3.88Å; W295-V305 HydrophobicContact CZ3-CG2 3.63Å; W295-W324 CarbonylContact C-O 3.55Å; W295-W324 VanDerWaalsContact O-O 3.1Å; W295-T326 HydrophobicContact CG-CG2 4.35Å |
| 296 | S | 89 | Confident | 86 | Confident | 16 Ų | 16 | 54.9 Ų | 54.9 | 11% | 0.112 | 27% | 0.273 | C | S | . | . | trans | -54.1 | 165.4 | 161.6 | 57 | 0 | 0 | 0 | 0 | 112 | W291 G293 A294 N298 S299 W302 | W291-S296 WeakPolarHBondContact O-CB 3.29Å; G293-S296 WeakPolarHBondContact O-CB 3.27Å; G293-S296 PolarHBondContact O-N 3.35Å; G293-S296 PolarHBondContact O-OG 3.04Å; A294-S296 PolarHBondContact O-N 2.93Å; S296-N298 PolarHBondContact O-N 3.41Å; S296-N298 VanDerWaalsContact O-N 3.15Å; S296-S299 WeakPolarHBondContact O-CB 3.23Å; S296-S299 PolarHBondContact O-N 3.25Å; S296-S299 WeakPolarHBondContact OG-CB 3.43Å; S296-W302 VanDerWaalsContact O-CD1 3.29Å; S296-W302 PolarHBondContact O-NE1 3.39Å | ||
| 297 | D | 84.1 | Confident | 86.1 | Confident | 12 Ų | 12 | 58.2 Ų | 58.2 | 6% | 0.064 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -36.9 | -172.9 | -77.1 | 20.7 | 0 | 0 | 0 | 113.7 | V317 | D297-V317 HydrophobicContact CB-CG1 4.44Š|
| 298 | N | 84.9 | Confident | 86.3 | Confident | 136 Ų | 136 | 61.9 Ų | 61.9 | 73% | 0.727 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 8.7 | 178.1 | -65.6 | -52.2 | 0 | 0 | 0 | 113.9 | S296 V317 | S296-N298 PolarHBondContact O-N 3.41Å; S296-N298 VanDerWaalsContact O-N 3.15Å; N298-V317 WeakPolarHBondContact OD1-CG1 3.34Å |
| 299 | S | 88.3 | Confident | 86.3 | Confident | 12 Ų | 12 | 57.6 Ų | 57.6 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | trans | -68.2 | 133.6 | -174.9 | 166.3 | 0 | 0 | 0 | 0 | 112.8 | W295 S296 E301 W302 | W295-S299 WeakPolarHBondContact CA-OG 3.41Å; W295-S299 PolarHBondContact N-OG 3.11Å; S296-S299 WeakPolarHBondContact O-CB 3.23Å; S296-S299 PolarHBondContact O-N 3.25Å; S296-S299 WeakPolarHBondContact OG-CB 3.43Å; S299-E301 PolarHBondContact O-N 3.31Å; S299-E301 WeakPolarHBondContact OG-CB 3.33Å; S299-E301 PolarHBondContact OG-N 3.46Å; S299-E301 PolarHBondContact OG-OE2 2.77Å; S299-W302 PolarHBondContact O-N 3.41Å | ||
| 300 | E | 87.7 | Confident | 86.3 | Confident | 117 Ų | 117 | 55.6 Ų | 55.6 | 55% | 0.547 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -63.5 | -24.5 | 177.2 | -73.1 | -72.7 | 130.4 | 0 | 0 | 112.6 | W302 K303 | E300-W302 PolarHBondContact O-N 2.74Å; E300-K303 VanDerWaalsContact CD-CE 3.47Å; E300-K303 WeakPolarHBondContact O-CB 3.33Å; E300-K303 WeakPolarHBondContact O-CG 3.39Å; E300-K303 PolarHBondContact O-N 3.08Å; E300-K303 VanDerWaalsContact OE1-CE 3.26Å; E300-K303 WeakPolarHBondContact OE1-CE 3.43Å; E300-K303 IonicContact OE1-NZ 2.74Å; E300-K303 PolarHBondContact OE1-NZ 2.6Å; E300-K303 VanDerWaalsContact OE2-CD 3.26Å; E300-K303 WeakPolarHBondContact OE2-CD 3.32Å; E300-K303 WeakPolarHBondContact OE2-CE 3.32Å; E300-K303 IonicContact OE2-NZ 2.65Å; E300-K303 PolarHBondContact OE2-NZ 2.82Å |
| 301 | E | 86.9 | Confident | 86 | Confident | 58 Ų | 58 | 63 Ų | 63 | 27% | 0.271 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -58.5 | -30.2 | 178 | -68.9 | 87.2 | 142.2 | 0 | 0 | 112.4 | A294 W295 S299 K303 K304 | A294-E301 WeakPolarHBondContact CB-OE1 3.22Å; W295-E301 HydrophobicContact CD2-CB 3.85Å; W295-E301 HydrophobicContact CE3-CB 4Å; W295-E301 HydrophobicContact CG-CB 4.45Å; W295-E301 HydrophobicContact CH2-CB 4.03Å; W295-E301 WeakPolarHBondContact CH2-O 3.45Å; W295-E301 HydrophobicContact CZ2-CB 3.88Å; W295-E301 HydrophobicContact CZ3-CB 4.08Å; W295-E301 WeakPolarHBondContact CZ3-O 3.46Å; S299-E301 PolarHBondContact O-N 3.31Å; S299-E301 WeakPolarHBondContact OG-CB 3.33Å; S299-E301 PolarHBondContact OG-N 3.46Å; S299-E301 PolarHBondContact OG-OE2 2.77Å; E301-K303 PolarHBondContact O-N 2.99Å; E301-K303 VanDerWaalsContact O-N 3.13Å; E301-K304 VanDerWaalsContact O-CB 3.3Å; E301-K304 WeakPolarHBondContact O-CB 3.5Å; E301-K304 WeakPolarHBondContact O-CG 3.26Å; E301-K304 PolarHBondContact O-N 2.65Å |
| 302 | W | 87.1 | Confident | 85.6 | Confident | 6 Ų | 6 | 70.5 Ų | 70.5 | 2% | 0.023 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -56.8 | -29.3 | 172.9 | -72.4 | 115 | 0 | 0 | 0 | 112.1 | M279 W295 S296 S299 E300 K304 V305 R310 L313 L315 W324 | M279-W302 HydrophobicContact CE-CH2 3.95Å; M279-W302 HydrophobicContact CE-CZ2 4.23Å; W295-W302 HydrophobicContact CB-CZ2 4.26Å; W295-W302 AromaticContact CE3-CD2 3.75Å; W295-W302 HydrophobicContact CE3-CD2 3.75Å; W295-W302 AromaticContact CE3-CE2 3.85Å; W295-W302 AromaticContact CE3-CE3 3.81Å; W295-W302 HydrophobicContact CE3-CE3 3.81Å; W295-W302 HydrophobicContact CE3-CG 4.34Å; W295-W302 HydrophobicContact CE3-CH2 4.08Å; W295-W302 HydrophobicContact CE3-CZ2 4Å; W295-W302 AromaticContact CE3-CZ3 3.98Å; W295-W302 HydrophobicContact CE3-CZ3 3.98Å; W295-W302 HydrophobicContact CZ3-CD2 4.08Å; W295-W302 AromaticContact CZ3-CE3 3.8Å; W295-W302 HydrophobicContact CZ3-CE3 3.8Å; W295-W302 HydrophobicContact CZ3-CZ3 4.11Å; W295-W302 PolarHBondContact O-NE1 2.84Å; W295-W302 VanDerWaalsContact O-NE1 3.11Å; S296-W302 VanDerWaalsContact O-CD1 3.29Å; S296-W302 PolarHBondContact O-NE1 3.39Å; S299-W302 PolarHBondContact O-N 3.41Å; E300-W302 PolarHBondContact O-N 2.74Å; W302-K304 PolarHBondContact O-N 3.19Å; W302-V305 HydrophobicContact CE3-CB 4.37Å; W302-V305 HydrophobicContact CE3-CG2 4.25Å; W302-V305 HydrophobicContact CZ3-CG2 4.5Å; W302-V305 WeakPolarHBondContact O-CB 3.39Å; W302-V305 PolarHBondContact O-N 3.17Å; W302-R310 VanDerWaalsContact C-CZ 3.45Å; W302-R310 HydrophobicContact CE3-CG 4.22Å; W302-R310 PolarHBondContact O-NE 3.07Å; W302-R310 PolarHBondContact O-NH2 2.76Å; W302-L313 HydrophobicContact CH2-CD1 4.22Å; W302-L313 HydrophobicContact CZ3-CD1 3.79Å; W302-L315 HydrophobicContact CB-CD2 4.48Å; W302-L315 HydrophobicContact CD2-CD1 4.33Å; W302-L315 HydrophobicContact CD2-CD2 3.67Å; W302-L315 HydrophobicContact CE3-CD2 3.99Å; W302-L315 HydrophobicContact CG-CD2 3.88Å; W302-L315 HydrophobicContact CH2-CD1 4.33Å; W302-L315 HydrophobicContact CZ2-CD1 3.78Å; W302-W324 HydrophobicContact CH2-CB 4.09Å; W302-W324 HydrophobicContact CH2-CD2 4.4Å; W302-W324 AromaticContact CH2-CG 3.95Å; W302-W324 HydrophobicContact CH2-CG 3.95Å; W302-W324 HydrophobicContact CZ2-CB 3.62Å; W302-W324 AromaticContact CZ2-CD1 3.98Å; W302-W324 AromaticContact CZ2-CG 3.84Å; W302-W324 HydrophobicContact CZ2-CG 3.84Å |
| 303 | K | 85 | Confident | 85.2 | Confident | 135 Ų | 135 | 65.7 Ų | 65.7 | 59% | 0.587 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -55.4 | -23.7 | 175.4 | -63.5 | -176.7 | -176.6 | 171.3 | 0 | 113.3 | E300 E301 V305 R310 | E300-K303 VanDerWaalsContact CD-CE 3.47Å; E300-K303 WeakPolarHBondContact O-CB 3.33Å; E300-K303 WeakPolarHBondContact O-CG 3.39Å; E300-K303 PolarHBondContact O-N 3.08Å; E300-K303 VanDerWaalsContact OE1-CE 3.26Å; E300-K303 WeakPolarHBondContact OE1-CE 3.43Å; E300-K303 IonicContact OE1-NZ 2.74Å; E300-K303 PolarHBondContact OE1-NZ 2.6Å; E300-K303 VanDerWaalsContact OE2-CD 3.26Å; E300-K303 WeakPolarHBondContact OE2-CD 3.32Å; E300-K303 WeakPolarHBondContact OE2-CE 3.32Å; E300-K303 IonicContact OE2-NZ 2.65Å; E300-K303 PolarHBondContact OE2-NZ 2.82Å; E301-K303 PolarHBondContact O-N 2.99Å; E301-K303 VanDerWaalsContact O-N 3.13Å; K303-V305 VanDerWaalsContact C-N 3.33Å; K303-R310 VanDerWaalsContact CA-NH2 3.25Å |
| 304 | K | 82.7 | Confident | 84.6 | Confident | 133 Ų | 133 | 66.6 Ų | 66.6 | 58% | 0.578 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -78.1 | -14.7 | 177 | -57 | 172.4 | -176.1 | 170.1 | 0 | 113.7 | L264 G265 E301 W302 | L264-K304 HydrophobicContact CD2-CB 4.43Å; G265-K304 PolarHBondContact N-O 2.8Å; E301-K304 VanDerWaalsContact O-CB 3.3Å; E301-K304 WeakPolarHBondContact O-CB 3.5Å; E301-K304 WeakPolarHBondContact O-CG 3.26Å; E301-K304 PolarHBondContact O-N 2.65Å; W302-K304 PolarHBondContact O-N 3.19Å |
| 305 | V | 81.9 | Confident | 84.1 | Confident | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.018 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -101.5 | 137.2 | -179.9 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | V262 L264 W295 W302 K303 E309 R310 | V262-V305 HydrophobicContact CG1-CG1 4.35Å; V262-V305 HydrophobicContact CG1-CG2 4.24Å; L264-V305 HydrophobicContact CD2-CG2 4.01Å; W295-V305 HydrophobicContact CH2-CG2 3.88Å; W295-V305 HydrophobicContact CZ3-CG2 3.63Å; W302-V305 HydrophobicContact CE3-CB 4.37Å; W302-V305 HydrophobicContact CE3-CG2 4.25Å; W302-V305 HydrophobicContact CZ3-CG2 4.5Å; W302-V305 WeakPolarHBondContact O-CB 3.39Å; W302-V305 PolarHBondContact O-N 3.17Å; K303-V305 VanDerWaalsContact C-N 3.33Å; V305-E309 HydrophobicContact CG1-CB 3.57Å; V305-E309 HydrophobicContact CG1-CG 3.49Å; V305-E309 VanDerWaalsContact CG1-CG 3.49Å; V305-R310 HydrophobicContact CB-CG 4.15Å; V305-R310 HydrophobicContact CG1-CG 3.84Å; V305-R310 PolarHBondContact O-NE 3.21Å; V305-R310 PolarHBondContact O-NH2 2.8Å |
| 306 | S | 82.8 | Confident | 83.2 | Confident | 55 Ų | 55 | 68.5 Ų | 68.5 | 39% | 0.385 | 35% | 0.345 | S | S | . | . | trans | -65.4 | 152.7 | 179.9 | 69.2 | 0 | 0 | 0 | 0 | 112 | S308 E309 R310 | S306-S308 PolarHBondContact O-N 2.77Å; S306-S308 PolarHBondContact OG-OG 3.33Å; S306-E309 PolarHBondContact O-N 3.26Å; S306-E309 VanDerWaalsContact O-N 3.11Å; S306-E309 VanDerWaalsContact OG-CB 3.26Å; S306-E309 WeakPolarHBondContact OG-CB 3.4Å; S306-E309 PolarHBondContact OG-N 2.78Å; S306-R310 WeakPolarHBondContact O-CG 3.31Å; S306-R310 PolarHBondContact O-N 3Å | ||
| 307 | N | 82.9 | Confident | 82.5 | Confident | 114 Ų | 114 | 71.8 Ų | 71.8 | 61% | 0.61 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.8 | -34.8 | 179.1 | -70.7 | -14.1 | 0 | 0 | 0 | 112.8 | K311 | N307-K311 WeakPolarHBondContact O-CG 3.49Å; N307-K311 PolarHBondContact O-N 3.17Å |
| 308 | S | 83.1 | Confident | 82.1 | Confident | 87 Ų | 87 | 77.4 Ų | 77.4 | 61% | 0.608 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.6 | -40.9 | 176 | 52.6 | 0 | 0 | 0 | 0 | 111.9 | S306 R312 | S306-S308 PolarHBondContact O-N 2.77Å; S306-S308 PolarHBondContact OG-OG 3.33Å; S308-R312 WeakPolarHBondContact O-CB 3.3Å; S308-R312 PolarHBondContact O-N 2.95Å |
| 309 | E | 80.9 | Confident | 81.6 | Confident | 16 Ų | 16 | 76.5 Ų | 76.5 | 8% | 0.075 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.3 | -41.4 | 177.5 | -172.5 | 72 | -177 | 0 | 0 | 111.3 | V262 V305 S306 K311 R312 L313 | V262-E309 HydrophobicContact CG1-CG 4.1Å; V305-E309 HydrophobicContact CG1-CB 3.57Å; V305-E309 HydrophobicContact CG1-CG 3.49Å; V305-E309 VanDerWaalsContact CG1-CG 3.49Å; S306-E309 PolarHBondContact O-N 3.26Å; S306-E309 VanDerWaalsContact O-N 3.11Å; S306-E309 VanDerWaalsContact OG-CB 3.26Å; S306-E309 WeakPolarHBondContact OG-CB 3.4Å; S306-E309 PolarHBondContact OG-N 2.78Å; E309-K311 PolarHBondContact O-N 3.23Å; E309-R312 WeakPolarHBondContact O-CB 3.27Å; E309-R312 PolarHBondContact O-N 3.39Å; E309-R312 IonicContact OE1-CZ 2.76Å; E309-R312 VanDerWaalsContact OE1-CZ 3.27Å; E309-R312 IonicContact OE1-NE 2.78Å; E309-R312 IonicContact OE1-NH1 3Å; E309-R312 IonicContact OE1-NH2 3.62Å; E309-R312 PolarHBondContact OE1-NH2 3.21Å; E309-R312 IonicContact OE2-CZ 2.62Å; E309-R312 IonicContact OE2-NE 2.98Å; E309-R312 PolarHBondContact OE2-NE 2.91Å; E309-R312 IonicContact OE2-NH1 3.35Å; E309-R312 PolarHBondContact OE2-NH1 3.02Å; E309-R312 IonicContact OE2-NH2 3.33Å; E309-R312 PolarHBondContact OE2-NH2 2.98Å; E309-L313 HydrophobicContact CG-CD1 4.47Å; E309-L313 VanDerWaalsContact O-CG 3.31Å; E309-L313 WeakPolarHBondContact O-CG 3.47Å; E309-L313 PolarHBondContact O-N 3.35Å |
| 310 | R | 83.6 | Confident | 81.1 | Confident | 59 Ų | 59 | 76.8 Ų | 76.8 | 22% | 0.223 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 174.6 | -65 | -173.3 | -145.5 | 166.4 | 14.1 | 112.6 | W302 K303 V305 S306 R312 L313 G314 L315 | W302-R310 VanDerWaalsContact C-CZ 3.45Å; W302-R310 HydrophobicContact CE3-CG 4.22Å; W302-R310 PolarHBondContact O-NE 3.07Å; W302-R310 PolarHBondContact O-NH2 2.76Å; K303-R310 VanDerWaalsContact CA-NH2 3.25Å; V305-R310 HydrophobicContact CB-CG 4.15Å; V305-R310 HydrophobicContact CG1-CG 3.84Å; V305-R310 PolarHBondContact O-NE 3.21Å; V305-R310 PolarHBondContact O-NH2 2.8Å; S306-R310 WeakPolarHBondContact O-CG 3.31Å; S306-R310 PolarHBondContact O-N 3Å; R310-R312 VanDerWaalsContact C-N 3.3Å; R310-R312 PolarHBondContact O-N 3.34Å; R310-L313 PolarHBondContact O-N 3.42Å; R310-G314 PolarHBondContact O-N 3.47Å; R310-L315 HydrophobicContact CB-CB 4.5Å; R310-L315 HydrophobicContact CB-CD2 4.35Å; R310-L315 HydrophobicContact CG-CD2 4.3Å; R310-L315 PolarHBondContact O-N 2.87Å |
| 311 | K | 83.2 | Confident | 80.9 | Confident | 177 Ų | 177 | 71.2 Ų | 71.2 | 77% | 0.77 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61 | -40.2 | 173.7 | -74.9 | -176.2 | 179 | -172 | 0 | 111.7 | N307 E309 L313 G314 | N307-K311 WeakPolarHBondContact O-CG 3.49Å; N307-K311 PolarHBondContact O-N 3.17Å; E309-K311 PolarHBondContact O-N 3.23Å; K311-L313 VanDerWaalsContact C-N 3.29Å; K311-L313 PolarHBondContact O-N 3.03Å; K311-G314 PolarHBondContact O-N 3.3Å |
| 312 | R | 83.4 | Confident | 81 | Confident | 166 Ų | 166 | 69.1 Ų | 69.1 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.9 | -33.1 | 176.2 | -170.2 | -179.4 | 79.2 | -167.3 | 13.2 | 112.8 | S308 E309 R310 G314 | S308-R312 WeakPolarHBondContact O-CB 3.3Å; S308-R312 PolarHBondContact O-N 2.95Å; E309-R312 WeakPolarHBondContact O-CB 3.27Å; E309-R312 PolarHBondContact O-N 3.39Å; E309-R312 IonicContact OE1-CZ 2.76Å; E309-R312 VanDerWaalsContact OE1-CZ 3.27Å; E309-R312 IonicContact OE1-NE 2.78Å; E309-R312 IonicContact OE1-NH1 3Å; E309-R312 IonicContact OE1-NH2 3.62Å; E309-R312 PolarHBondContact OE1-NH2 3.21Å; E309-R312 IonicContact OE2-CZ 2.62Å; E309-R312 IonicContact OE2-NE 2.98Å; E309-R312 PolarHBondContact OE2-NE 2.91Å; E309-R312 IonicContact OE2-NH1 3.35Å; E309-R312 PolarHBondContact OE2-NH1 3.02Å; E309-R312 IonicContact OE2-NH2 3.33Å; E309-R312 PolarHBondContact OE2-NH2 2.98Å; R310-R312 VanDerWaalsContact C-N 3.3Å; R310-R312 PolarHBondContact O-N 3.34Å; R312-G314 PolarHBondContact O-N 3.39Å |
| 313 | L | 82 | Confident | 81.3 | Confident | 10 Ų | 10 | 68.9 Ų | 68.9 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -75.1 | -11.2 | 174.5 | -66.9 | 171.2 | 0 | 0 | 0 | 112.6 | R260 V262 R281 W302 E309 R310 K311 L315 W324 | R260-L313 HydrophobicContact CB-CD2 3.92Å; R260-L313 HydrophobicContact CG-CD2 3.85Å; V262-L313 HydrophobicContact CG1-CD1 4.23Å; V262-L313 HydrophobicContact CG2-CD1 3.79Å; V262-L313 HydrophobicContact CG2-CD2 3.89Å; V262-L313 HydrophobicContact CG2-CG 4.46Å; R281-L313 PolarHBondContact NH1-O 2.98Å; W302-L313 HydrophobicContact CH2-CD1 4.22Å; W302-L313 HydrophobicContact CZ3-CD1 3.79Å; E309-L313 HydrophobicContact CG-CD1 4.47Å; E309-L313 VanDerWaalsContact O-CG 3.31Å; E309-L313 WeakPolarHBondContact O-CG 3.47Å; E309-L313 PolarHBondContact O-N 3.35Å; R310-L313 PolarHBondContact O-N 3.42Å; K311-L313 VanDerWaalsContact C-N 3.29Å; K311-L313 PolarHBondContact O-N 3.03Å; L313-L315 VanDerWaalsContact C-N 3.29Å; L313-W324 HydrophobicContact CB-CZ2 4.01Å; L313-W324 HydrophobicContact CD2-CH2 4.02Å; L313-W324 HydrophobicContact CD2-CZ2 4.12Å; L313-W324 WeakPolarHBondContact O-CZ2 3.25Å |
| 314 | G | 78 | Confident | 81.7 | Confident | 34 Ų | 34 | 62.6 Ų | 62.6 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 41.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R281 R310 K311 R312 T316 | R281-G314 PolarHBondContact NH1-O 2.78Å; R310-G314 PolarHBondContact O-N 3.47Å; K311-G314 PolarHBondContact O-N 3.3Å; R312-G314 PolarHBondContact O-N 3.39Å; G314-T316 PolarHBondContact O-N 3.31Å |
| 315 | L | 77.3 | Confident | 82.3 | Confident | 38 Ų | 38 | 56.3 Ų | 56.3 | 20% | 0.199 | 29% | 0.294 | C | S | . | . | trans | -67.1 | 109.2 | 173.7 | -177 | 69.8 | 0 | 0 | 0 | 108.8 | W302 R310 L313 | W302-L315 HydrophobicContact CB-CD2 4.48Å; W302-L315 HydrophobicContact CD2-CD1 4.33Å; W302-L315 HydrophobicContact CD2-CD2 3.67Å; W302-L315 HydrophobicContact CE3-CD2 3.99Å; W302-L315 HydrophobicContact CG-CD2 3.88Å; W302-L315 HydrophobicContact CH2-CD1 4.33Å; W302-L315 HydrophobicContact CZ2-CD1 3.78Å; R310-L315 HydrophobicContact CB-CB 4.5Å; R310-L315 HydrophobicContact CB-CD2 4.35Å; R310-L315 HydrophobicContact CG-CD2 4.3Å; R310-L315 PolarHBondContact O-N 2.87Å; L313-L315 VanDerWaalsContact C-N 3.29Å | ||
| 316 | T | 72.1 | Confident | 82.9 | Confident | 54 Ų | 54 | 56.7 Ų | 56.7 | 33% | 0.331 | 30% | 0.297 | S | S | . | . | trans | -91.1 | 158 | 163.3 | 43.3 | 0 | 0 | 0 | 0 | 108.7 | G314 | G314-T316 PolarHBondContact O-N 3.31Š| ||
| 317 | V | 74.4 | Confident | 83.5 | Confident | 86 Ų | 86 | 54.2 Ų | 54.2 | 52% | 0.521 | 28% | 0.279 | S | S | . | . | trans | -127.9 | 72.6 | 173.9 | -176.3 | 0 | 0 | 0 | 0 | 105.9 | D297 N298 | D297-V317 HydrophobicContact CB-CG1 4.44Å; N298-V317 WeakPolarHBondContact OD1-CG1 3.34Å | ||
| 318 | E | 75.7 | Confident | 84.1 | Confident | 130 Ų | 130 | 53.4 Ų | 53.4 | 61% | 0.607 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -142.6 | 142.7 | -174.5 | -64 | -173.3 | -169.5 | 0 | 0 | 107.8 | D320 | E318-D320 HydrophobicContact CB-CB 4.46Å; E318-D320 PolarHBondContact O-N 2.79Å |
| 319 | N | 73.9 | Confident | 84.7 | Confident | 116 Ų | 116 | 50.7 Ų | 50.7 | 62% | 0.62 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -81.1 | 72 | 175.9 | -174.5 | 7.2 | 0 | 0 | 0 | 109.2 | K288 R289 E290 | K288-N319 WeakPolarHBondContact CA-OD1 3.46Å; R289-N319 PolarHBondContact N-OD1 3.28Å; E290-N319 WeakPolarHBondContact OE1-CA 3.3Å |
| 320 | D | 78.3 | Confident | 85.4 | Confident | 19 Ų | 19 | 50 Ų | 50 | 10% | 0.102 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -107.5 | 0.5 | -175.9 | 67.5 | 20.5 | 0 | 0 | 0 | 112.5 | H71 G287 E290 E318 E322 | H71-D320 IonicContact NE2-OD2 2.76Å; H71-D320 PolarHBondContact NE2-OD2 2.71Å; G287-D320 CarbonylContact C-O 3.53Å; G287-D320 VanDerWaalsContact CA-O 3.3Å; G287-D320 WeakPolarHBondContact CA-O 3.49Å; G287-D320 CarbonylContact O-C 3.55Å; E290-D320 PolarHBondContact OE1-N 3.26Å; E318-D320 HydrophobicContact CB-CB 4.46Å; E318-D320 PolarHBondContact O-N 2.79Å; D320-E322 VanDerWaalsContact C-N 3.34Å; D320-E322 WeakPolarHBondContact OD1-CA 3.28Å; D320-E322 VanDerWaalsContact OD1-CB 3.23Å; D320-E322 WeakPolarHBondContact OD1-CB 3.42Å; D320-E322 PolarHBondContact OD1-N 2.79Å |
| 321 | G | 83.2 | Confident | 86 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 85.9 | -4.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | R283 N284 E290 | R283-G321 CarbonylContact C-O 3.2Å; R283-G321 WeakPolarHBondContact CA-O 3.35Å; N284-G321 PolarHBondContact N-O 3.14Å; E290-G321 WeakPolarHBondContact OE1-CA 3.24Å; E290-G321 PolarHBondContact OE1-N 3.22Å |
| 322 | E | 89.9 | Confident | 86.5 | Confident | 14 Ų | 14 | 42.6 Ų | 42.6 | 7% | 0.065 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 129.7 | 176.6 | -170.2 | 167.9 | -105.5 | 0 | 0 | 111.2 | T257 R281 L282 D320 | T257-E322 VanDerWaalsContact CB-OE1 3.24Å; T257-E322 WeakPolarHBondContact CB-OE1 3.25Å; T257-E322 WeakPolarHBondContact CG2-OE1 3.39Å; T257-E322 PolarHBondContact OG1-OE1 2.76Å; R281-E322 WeakPolarHBondContact CD-OE2 3.36Å; R281-E322 HydrophobicContact CG-CG 3.71Å; R281-E322 IonicContact CZ-OE1 2.57Å; R281-E322 IonicContact CZ-OE2 3.83Å; R281-E322 VanDerWaalsContact NE-CD 3.3Å; R281-E322 IonicContact NE-OE1 3.96Å; R281-E322 PolarHBondContact NE-OE1 2.85Å; R281-E322 IonicContact NE-OE2 2.92Å; R281-E322 PolarHBondContact NE-OE2 2.74Å; R281-E322 VanDerWaalsContact NE-OE2 3.1Å; R281-E322 IonicContact NH1-OE2 3.27Å; R281-E322 PolarHBondContact NH1-OE2 2.79Å; R281-E322 IonicContact NH2-OE1 2.85Å; R281-E322 PolarHBondContact NH2-OE1 2.9Å; R281-E322 IonicContact NH2-OE2 2.78Å; R281-E322 PolarHBondContact NH2-OE2 3.5Å; L282-E322 CarbonylContact O-C 3.53Å; L282-E322 VanDerWaalsContact O-CA 3.26Å; L282-E322 WeakPolarHBondContact O-CA 3.31Å; D320-E322 VanDerWaalsContact C-N 3.34Å; D320-E322 WeakPolarHBondContact OD1-CA 3.28Å; D320-E322 VanDerWaalsContact OD1-CB 3.23Å; D320-E322 WeakPolarHBondContact OD1-CB 3.42Å; D320-E322 PolarHBondContact OD1-N 2.79Å |
| 323 | F | 92.7 | Very high | 87 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 154.6 | -177.8 | 58.6 | -90.2 | 0 | 0 | 0 | 112 | L248 Y254 R281 L282 E290 W291 | L248-F323 HydrophobicContact CD2-CE2 3.9Å; L248-F323 HydrophobicContact CD2-CZ 3.61Å; Y254-F323 HydrophobicContact CD1-CE1 4.2Å; Y254-F323 HydrophobicContact CD1-CZ 4.11Å; Y254-F323 AromaticContact CE1-CE1 3.95Å; Y254-F323 HydrophobicContact CE1-CE1 3.95Å; Y254-F323 AromaticContact CE1-CZ 3.95Å; Y254-F323 HydrophobicContact CE1-CZ 3.95Å; R281-F323 WeakPolarHBondContact CA-O 3.36Å; R281-F323 WeakPolarHBondContact CG-O 2.94Å; L282-F323 HydrophobicContact CB-CD2 4.41Å; L282-F323 HydrophobicContact CB-CE1 4.24Å; L282-F323 HydrophobicContact CB-CE2 3.9Å; L282-F323 HydrophobicContact CB-CZ 3.8Å; L282-F323 HydrophobicContact CD1-CE2 3.73Å; L282-F323 HydrophobicContact CD1-CZ 3.94Å; L282-F323 HydrophobicContact CG-CE2 4.32Å; L282-F323 PolarHBondContact N-O 2.94Å; L282-F323 PolarHBondContact O-N 3.48Å; E290-F323 HydrophobicContact CB-CB 4.12Å; E290-F323 HydrophobicContact CB-CD1 3.87Å; E290-F323 HydrophobicContact CB-CG 4.23Å; E290-F323 HydrophobicContact CG-CB 4.34Å; E290-F323 HydrophobicContact CG-CD1 3.9Å; W291-F323 HydrophobicContact CB-CB 4.38Å; W291-F323 HydrophobicContact CB-CD2 3.24Å; W291-F323 HydrophobicContact CB-CE2 3.52Å; W291-F323 HydrophobicContact CB-CG 3.85Å; W291-F323 HydrophobicContact CB-CZ 4.32Å; W291-F323 HydrophobicContact CG-CD2 4.24Å; W291-F323 HydrophobicContact CG-CE2 4.49Å |
| 324 | W | 93.9 | Very high | 87.7 | Confident | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 150 | 174.4 | -76.3 | 96.8 | 0 | 0 | 0 | 111.6 | A258 R260 M279 R281 W295 W302 L313 | A258-W324 HydrophobicContact CB-CH2 3.64Å; A258-W324 HydrophobicContact CB-CZ2 4.14Å; A258-W324 HydrophobicContact CB-CZ3 4.39Å; R260-W324 HydrophobicContact CB-CH2 4.22Å; R260-W324 HydrophobicContact CB-CZ3 4.33Å; R260-W324 HydrophobicContact CG-CH2 3.79Å; R260-W324 HydrophobicContact CG-CZ3 4.35Å; M279-W324 HydrophobicContact CB-CE3 3.81Å; M279-W324 HydrophobicContact CB-CZ3 3.81Å; M279-W324 HydrophobicContact CE-CB 4.01Å; M279-W324 HydrophobicContact CE-CE3 4.26Å; R281-W324 HydrophobicContact CB-CD2 3.71Å; R281-W324 HydrophobicContact CB-CE3 3.7Å; R281-W324 HydrophobicContact CB-CG 4.34Å; R281-W324 HydrophobicContact CB-CH2 3.87Å; R281-W324 HydrophobicContact CB-CZ2 3.87Å; R281-W324 HydrophobicContact CB-CZ3 3.79Å; R281-W324 VanDerWaalsContact CD-CE2 3.44Å; R281-W324 HydrophobicContact CG-CD2 3.95Å; R281-W324 HydrophobicContact CG-CE3 4.45Å; R281-W324 HydrophobicContact CG-CG 4.15Å; R281-W324 HydrophobicContact CG-CZ2 4.24Å; W295-W324 CarbonylContact C-O 3.55Å; W295-W324 VanDerWaalsContact O-O 3.1Å; W302-W324 HydrophobicContact CH2-CB 4.09Å; W302-W324 HydrophobicContact CH2-CD2 4.4Å; W302-W324 AromaticContact CH2-CG 3.95Å; W302-W324 HydrophobicContact CH2-CG 3.95Å; W302-W324 HydrophobicContact CZ2-CB 3.62Å; W302-W324 AromaticContact CZ2-CD1 3.98Å; W302-W324 AromaticContact CZ2-CG 3.84Å; W302-W324 HydrophobicContact CZ2-CG 3.84Å; L313-W324 HydrophobicContact CB-CZ2 4.01Å; L313-W324 HydrophobicContact CD2-CH2 4.02Å; L313-W324 HydrophobicContact CD2-CZ2 4.12Å; L313-W324 WeakPolarHBondContact O-CZ2 3.25Å |
| 325 | M | 95.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 167.3 | 165.7 | 60.7 | 175.5 | 11.6 | 0 | 0 | 111.1 | L248 I280 L282 W291 D329 W330 F334 | L248-M325 HydrophobicContact CD1-CE 4.47Å; I280-M325 HydrophobicContact CG2-CG 3.8Å; I280-M325 PolarHBondContact N-O 3.49Å; I280-M325 PolarHBondContact O-N 2.9Å; L282-M325 HydrophobicContact CD1-SD 4.08Å; W291-M325 HydrophobicContact CB-CE 4.43Å; W291-M325 HydrophobicContact CD2-CE 3.32Å; W291-M325 HydrophobicContact CE3-CE 3.44Å; W291-M325 VanDerWaalsContact CE3-CE 3.44Å; W291-M325 HydrophobicContact CG-CE 3.81Å; W291-M325 HydrophobicContact CH2-CE 3.98Å; W291-M325 HydrophobicContact CZ2-CE 3.88Å; W291-M325 HydrophobicContact CZ3-CE 3.76Å; M325-D329 HydrophobicContact CE-CB 4.38Å; M325-W330 HydrophobicContact CG-CB 4.3Å; M325-W330 HydrophobicContact SD-CB 3.74Å; M325-W330 HydrophobicContact SD-CG 4.31Å; M325-F334 HydrophobicContact SD-CE2 3.97Å |
| 326 | T | 95.1 | Very high | 89.2 | Confident | 12 Ų | 12 | 36.4 Ų | 36.4 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 149.3 | 170.8 | 75.4 | 0 | 0 | 0 | 0 | 110.1 | L277 M279 W295 E328 D329 W330 | L277-T326 HydrophobicContact CD1-CG2 4.2Å; M279-T326 HydrophobicContact SD-CG2 4.19Å; W295-T326 HydrophobicContact CG-CG2 4.35Å; T326-E328 PolarHBondContact O-N 2.55Å; T326-D329 PolarHBondContact O-N 3.33Å; T326-D329 WeakPolarHBondContact OG1-CB 3.39Å; T326-D329 PolarHBondContact OG1-N 2.71Å; T326-D329 PolarHBondContact OG1-OD2 2.91Å; T326-W330 PolarHBondContact O-N 2.77Å |
| 327 | F | 95.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.9 | -26.6 | 175.5 | -167.3 | -103.5 | 0 | 0 | 0 | 112.4 | Q211 L214 F215 L218 F278 I280 W330 C331 | Q211-F327 HydrophobicContact CG-CD1 3.67Å; Q211-F327 HydrophobicContact CG-CE1 3.71Å; Q211-F327 VanDerWaalsContact O-CE1 3.29Å; Q211-F327 WeakPolarHBondContact O-CE1 3.1Å; L214-F327 HydrophobicContact CB-CZ 4.32Å; L214-F327 HydrophobicContact CD2-CZ 4Å; L214-F327 HydrophobicContact CG-CZ 3.97Å; F215-F327 HydrophobicContact CB-CD1 3.81Å; F215-F327 HydrophobicContact CB-CE1 3.68Å; F215-F327 HydrophobicContact CB-CE2 4.43Å; F215-F327 HydrophobicContact CB-CG 4.25Å; F215-F327 HydrophobicContact CB-CZ 4Å; F215-F327 HydrophobicContact CD2-CB 3.95Å; F215-F327 HydrophobicContact CD2-CD1 4.02Å; F215-F327 AromaticContact CD2-CD2 3.62Å; F215-F327 HydrophobicContact CD2-CD2 3.62Å; F215-F327 HydrophobicContact CD2-CE1 4.46Å; F215-F327 HydrophobicContact CD2-CE2 4.09Å; F215-F327 AromaticContact CD2-CG 3.56Å; F215-F327 HydrophobicContact CD2-CG 3.56Å; F215-F327 HydrophobicContact CD2-CZ 4.48Å; F215-F327 HydrophobicContact CE2-CB 4.4Å; F215-F327 HydrophobicContact CE2-CD2 4.38Å; F215-F327 HydrophobicContact CE2-CG 4.4Å; F215-F327 HydrophobicContact CG-CD1 4.34Å; F215-F327 HydrophobicContact CG-CG 4.32Å; L218-F327 HydrophobicContact CD1-CE2 3.75Å; L218-F327 HydrophobicContact CD1-CZ 3.94Å; F278-F327 HydrophobicContact CB-CB 3.9Å; F278-F327 PolarHBondContact O-N 2.85Å; I280-F327 HydrophobicContact CB-CD2 4.39Å; I280-F327 HydrophobicContact CD1-CD2 4.43Å; I280-F327 HydrophobicContact CD1-CE2 4.43Å; I280-F327 HydrophobicContact CG2-CD2 4.44Å; F327-W330 AromaticContact CD2-CE3 3.97Å; F327-W330 HydrophobicContact CD2-CE3 3.97Å; F327-W330 HydrophobicContact CE1-CE3 4.5Å; F327-W330 HydrophobicContact CE2-CD2 4.29Å; F327-W330 AromaticContact CE2-CE3 3.46Å; F327-W330 HydrophobicContact CE2-CE3 3.46Å; F327-W330 VanDerWaalsContact CE2-CE3 3.46Å; F327-W330 AromaticContact CE2-CZ3 3.64Å; F327-W330 HydrophobicContact CE2-CZ3 3.64Å; F327-W330 AromaticContact CZ-CE3 3.77Å; F327-W330 HydrophobicContact CZ-CE3 3.77Å; F327-W330 AromaticContact CZ-CZ3 3.65Å; F327-W330 HydrophobicContact CZ-CZ3 3.65Å; F327-C331 VanDerWaalsContact CE1-SG 3.53Å; F327-C331 PolarHBondContact O-N 2.98Å; F327-C331 PolarHBondContact O-SG 3.31Å |
| 328 | E | 94.6 | Very high | 91.3 | Very high | 97 Ų | 97 | 30.8 Ų | 30.8 | 45% | 0.453 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -67.1 | -48.6 | 174.2 | -174.6 | -172.9 | 161.9 | 0 | 0 | 111.3 | T326 W330 C331 K332 | T326-E328 PolarHBondContact O-N 2.55Å; E328-W330 VanDerWaalsContact C-N 3.27Å; E328-W330 PolarHBondContact O-N 2.99Å; E328-C331 PolarHBondContact O-N 3.33Å; E328-K332 WeakPolarHBondContact O-CG 3.21Å; E328-K332 PolarHBondContact O-N 3.03Å; E328-K332 VanDerWaalsContact O-N 3.08Å; E328-K332 VanDerWaalsContact OE1-CE 3.25Å; E328-K332 WeakPolarHBondContact OE1-CE 3.29Å; E328-K332 IonicContact OE1-NZ 3.81Å; E328-K332 PolarHBondContact OE1-NZ 2.8Å |
| 329 | D | 95.3 | Very high | 92.3 | Very high | 31 Ų | 31 | 24.6 Ų | 24.6 | 17% | 0.166 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.8 | -37.5 | 176.3 | -65.6 | -39.8 | 0 | 0 | 0 | 111 | W291 M325 T326 C331 K332 N333 | W291-D329 HydrophobicContact CZ2-CB 4.27Å; M325-D329 HydrophobicContact CE-CB 4.38Å; T326-D329 PolarHBondContact O-N 3.33Å; T326-D329 WeakPolarHBondContact OG1-CB 3.39Å; T326-D329 PolarHBondContact OG1-N 2.71Å; T326-D329 PolarHBondContact OG1-OD2 2.91Å; D329-C331 PolarHBondContact O-N 3.4Å; D329-K332 PolarHBondContact O-N 3.16Å; D329-K332 VanDerWaalsContact O-N 3.12Å; D329-K332 IonicContact OD1-NZ 3.38Å; D329-N333 PolarHBondContact O-N 3.04Å; D329-N333 PolarHBondContact O-ND2 3.01Å |
| 330 | W | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.4 | -49.5 | 172.8 | -177.5 | 77.1 | 0 | 0 | 0 | 111.9 | L199 L214 L218 C230 I280 M325 T326 F327 E328 K332 N333 F334 V337 | L199-W330 HydrophobicContact CD1-CE3 4.33Å; L199-W330 HydrophobicContact CD1-CH2 3.52Å; L199-W330 HydrophobicContact CD1-CZ2 3.91Å; L199-W330 HydrophobicContact CD1-CZ3 3.74Å; L199-W330 HydrophobicContact CD2-CH2 3.87Å; L199-W330 HydrophobicContact CD2-CZ3 3.88Å; L199-W330 HydrophobicContact CG-CH2 4.3Å; L199-W330 HydrophobicContact CG-CZ3 4.5Å; L214-W330 HydrophobicContact CD2-CH2 4.47Å; L214-W330 HydrophobicContact CD2-CZ3 3.97Å; L218-W330 HydrophobicContact CD1-CH2 4.16Å; L218-W330 HydrophobicContact CD1-CZ3 4.3Å; C230-W330 HydrophobicContact CB-CZ2 3.81Å; I280-W330 HydrophobicContact CD1-CD2 4.19Å; I280-W330 HydrophobicContact CD1-CG 4.3Å; I280-W330 HydrophobicContact CG2-CB 3.76Å; I280-W330 HydrophobicContact CG2-CG 3.92Å; M325-W330 HydrophobicContact CG-CB 4.3Å; M325-W330 HydrophobicContact SD-CB 3.74Å; M325-W330 HydrophobicContact SD-CG 4.31Å; T326-W330 PolarHBondContact O-N 2.77Å; F327-W330 AromaticContact CD2-CE3 3.97Å; F327-W330 HydrophobicContact CD2-CE3 3.97Å; F327-W330 HydrophobicContact CE1-CE3 4.5Å; F327-W330 HydrophobicContact CE2-CD2 4.29Å; F327-W330 AromaticContact CE2-CE3 3.46Å; F327-W330 HydrophobicContact CE2-CE3 3.46Å; F327-W330 VanDerWaalsContact CE2-CE3 3.46Å; F327-W330 AromaticContact CE2-CZ3 3.64Å; F327-W330 HydrophobicContact CE2-CZ3 3.64Å; F327-W330 AromaticContact CZ-CE3 3.77Å; F327-W330 HydrophobicContact CZ-CE3 3.77Å; F327-W330 AromaticContact CZ-CZ3 3.65Å; F327-W330 HydrophobicContact CZ-CZ3 3.65Å; E328-W330 VanDerWaalsContact C-N 3.27Å; E328-W330 PolarHBondContact O-N 2.99Å; W330-K332 PolarHBondContact O-N 3.23Å; W330-N333 PolarHBondContact O-N 3.43Å; W330-F334 AromaticContact CD1-CD2 3.17Å; W330-F334 AromaticContact CD1-CE2 3.49Å; W330-F334 VanDerWaalsContact CD1-CE2 3.49Å; W330-F334 AromaticContact CD1-CG 3.68Å; W330-F334 AromaticContact CG-CD2 3.94Å; W330-F334 HydrophobicContact CG-CD2 3.94Å; W330-F334 HydrophobicContact CG-CG 4.46Å; W330-F334 HydrophobicContact CZ2-CB 4.5Å; W330-F334 AromaticContact NE1-CD1 3.85Å; W330-F334 AromaticContact NE1-CD2 3.48Å; W330-F334 AromaticContact NE1-CE2 3.92Å; W330-F334 AromaticContact NE1-CG 3.44Å; W330-F334 WeakPolarHBondContact O-CB 3.21Å; W330-F334 WeakPolarHBondContact O-CD2 3.32Å; W330-F334 PolarHBondContact O-N 3.12Å; W330-V337 HydrophobicContact CH2-CB 3.68Å; W330-V337 HydrophobicContact CH2-CG1 3.91Å; W330-V337 HydrophobicContact CH2-CG2 3.96Å; W330-V337 HydrophobicContact CZ2-CB 3.85Å; W330-V337 HydrophobicContact CZ2-CG2 3.98Å |
| 331 | C | 95.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 3% | 0.027 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.5 | -22.1 | 176.8 | -67.2 | 0 | 0 | 0 | 0 | 114 | F327 E328 D329 | F327-C331 VanDerWaalsContact CE1-SG 3.53Å; F327-C331 PolarHBondContact O-N 2.98Å; F327-C331 PolarHBondContact O-SG 3.31Å; E328-C331 PolarHBondContact O-N 3.33Å; D329-C331 PolarHBondContact O-N 3.4Å |
| 332 | K | 93.9 | Very high | 94 | Very high | 78 Ų | 78 | 22.8 Ų | 22.8 | 34% | 0.339 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -81.5 | -32.9 | 177.1 | -74.5 | 169.7 | -175.4 | 165.6 | 0 | 112.8 | R205 E328 D329 W330 | R205-K332 HydrophobicContact CG-CG 3.99Å; E328-K332 WeakPolarHBondContact O-CG 3.21Å; E328-K332 PolarHBondContact O-N 3.03Å; E328-K332 VanDerWaalsContact O-N 3.08Å; E328-K332 VanDerWaalsContact OE1-CE 3.25Å; E328-K332 WeakPolarHBondContact OE1-CE 3.29Å; E328-K332 IonicContact OE1-NZ 3.81Å; E328-K332 PolarHBondContact OE1-NZ 2.8Å; D329-K332 PolarHBondContact O-N 3.16Å; D329-K332 VanDerWaalsContact O-N 3.12Å; D329-K332 IonicContact OD1-NZ 3.38Å; W330-K332 PolarHBondContact O-N 3.23Å |
| 333 | N | 94.8 | Very high | 93.5 | Very high | 52 Ų | 52 | 23.4 Ų | 23.4 | 28% | 0.278 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -103.4 | -29.1 | -170.4 | -68.1 | -75.5 | 0 | 0 | 0 | 113.5 | L248 D329 W330 | L248-N333 HydrophobicContact CD1-CB 3.7Å; D329-N333 PolarHBondContact O-N 3.04Å; D329-N333 PolarHBondContact O-ND2 3.01Å; W330-N333 PolarHBondContact O-N 3.43Å |
| 334 | F | 95.3 | Very high | 92.7 | Very high | 5 Ų | 5 | 25.8 Ų | 25.8 | 2% | 0.022 | 13% | 0.13 | C | C | . | . | trans | -93.3 | 151.3 | 179.5 | -72.6 | -99.8 | 0 | 0 | 0 | 112 | L199 C230 I232 L248 Y254 L282 M325 W330 | L199-F334 HydrophobicContact CD1-CB 3.83Å; C230-F334 HydrophobicContact CB-CD1 3.94Å; C230-F334 HydrophobicContact CB-CE1 4.4Å; C230-F334 VanDerWaalsContact SG-CE1 3.54Å; I232-F334 HydrophobicContact CD1-CD1 4.4Å; I232-F334 HydrophobicContact CD1-CE1 4.17Å; I232-F334 HydrophobicContact CD1-CZ 4.26Å; I232-F334 HydrophobicContact CG1-CD1 3.71Å; I232-F334 HydrophobicContact CG1-CE1 3.88Å; I232-F334 HydrophobicContact CG1-CG 4.13Å; I232-F334 HydrophobicContact CG1-CZ 4.42Å; L248-F334 HydrophobicContact CD1-CE2 4.01Å; L248-F334 HydrophobicContact CD1-CZ 4.45Å; L248-F334 HydrophobicContact CD2-CE2 4.4Å; L248-F334 HydrophobicContact CD2-CZ 4.24Å; Y254-F334 AromaticContact CD2-CE1 3.76Å; Y254-F334 HydrophobicContact CD2-CE1 3.76Å; Y254-F334 HydrophobicContact CD2-CZ 4.25Å; Y254-F334 HydrophobicContact CE2-CE1 4.36Å; Y254-F334 HydrophobicContact CG-CE1 4.09Å; Y254-F334 HydrophobicContact CG-CZ 4.36Å; L282-F334 HydrophobicContact CD1-CE1 4.21Å; L282-F334 HydrophobicContact CD1-CE2 3.63Å; L282-F334 HydrophobicContact CD1-CZ 3.37Å; M325-F334 HydrophobicContact SD-CE2 3.97Å; W330-F334 AromaticContact CD1-CD2 3.17Å; W330-F334 AromaticContact CD1-CE2 3.49Å; W330-F334 VanDerWaalsContact CD1-CE2 3.49Å; W330-F334 AromaticContact CD1-CG 3.68Å; W330-F334 AromaticContact CG-CD2 3.94Å; W330-F334 HydrophobicContact CG-CD2 3.94Å; W330-F334 HydrophobicContact CG-CG 4.46Å; W330-F334 HydrophobicContact CZ2-CB 4.5Å; W330-F334 AromaticContact NE1-CD1 3.85Å; W330-F334 AromaticContact NE1-CD2 3.48Å; W330-F334 AromaticContact NE1-CE2 3.92Å; W330-F334 AromaticContact NE1-CG 3.44Å; W330-F334 WeakPolarHBondContact O-CB 3.21Å; W330-F334 WeakPolarHBondContact O-CD2 3.32Å; W330-F334 PolarHBondContact O-N 3.12Å | ||
| 335 | T | 94.1 | Very high | 91.7 | Very high | 16 Ų | 16 | 28.8 Ų | 28.8 | 10% | 0.098 | 15% | 0.148 | C | C | . | . | trans | -107.8 | -33.8 | -177.8 | 60.2 | 0 | 0 | 0 | 0 | 112.1 | L199 I200 S231 I232 T233 | L199-T335 VanDerWaalsContact CB-O 3.31Å; L199-T335 WeakPolarHBondContact CB-O 3.31Å; L199-T335 PolarHBondContact N-O 3.19Å; I200-T335 HydrophobicContact CD1-CG2 3.79Å; I200-T335 HydrophobicContact CG1-CG2 4.46Å; S231-T335 PolarHBondContact O-N 2.89Å; S231-T335 VanDerWaalsContact O-N 3.14Å; S231-T335 PolarHBondContact O-OG1 3.08Å; I232-T335 HydrophobicContact CG2-CG2 4.36Å; T233-T335 WeakPolarHBondContact CB-OG1 3.47Å; T233-T335 PolarHBondContact N-OG1 2.88Å; T233-T335 PolarHBondContact OG1-OG1 3.21Å | ||
| 336 | D | 94 | Very high | 90.5 | Very high | 45 Ų | 45 | 31.5 Ų | 31.5 | 24% | 0.241 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 145 | -171.4 | -57.8 | -85.2 | 0 | 0 | 0 | 111.3 | C230 S231 T233 | C230-D336 VanDerWaalsContact CA-O 3.25Å; C230-D336 WeakPolarHBondContact CA-O 3.29Å; C230-D336 VanDerWaalsContact CB-O 3.27Å; C230-D336 WeakPolarHBondContact CB-O 3.48Å; S231-D336 PolarHBondContact N-O 3.44Å; S231-D336 PolarHBondContact O-N 3.03Å; T233-D336 PolarHBondContact OG1-OD2 2.63Å |
| 337 | V | 96 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 131.3 | 170.5 | 63.8 | 0 | 0 | 0 | 0 | 111.4 | S196 V197 L199 L218 I228 S229 C230 W330 I339 | S196-V337 CarbonylContact C-O 3.55Å; S196-V337 WeakPolarHBondContact CA-O 3.27Å; V197-V337 HydrophobicContact CB-CG1 3.74Å; V197-V337 HydrophobicContact CG1-CG1 4.42Å; V197-V337 HydrophobicContact CG2-CG1 4.45Å; V197-V337 PolarHBondContact N-O 3.14Å; V197-V337 PolarHBondContact O-N 3.47Å; L199-V337 HydrophobicContact CD2-CG1 3.99Å; L218-V337 HydrophobicContact CD2-CG2 4.25Å; I228-V337 HydrophobicContact CG2-CG2 3.54Å; S229-V337 WeakPolarHBondContact O-CG2 3.49Å; C230-V337 HydrophobicContact CB-CB 4.34Å; C230-V337 HydrophobicContact CB-CG2 4.34Å; W330-V337 HydrophobicContact CH2-CB 3.68Å; W330-V337 HydrophobicContact CH2-CG1 3.91Å; W330-V337 HydrophobicContact CH2-CG2 3.96Å; W330-V337 HydrophobicContact CZ2-CB 3.85Å; W330-V337 HydrophobicContact CZ2-CG2 3.98Å; V337-I339 HydrophobicContact CG1-CD1 4.48Å; V337-I339 HydrophobicContact CG1-CG1 4.39Å; V337-I339 HydrophobicContact CG2-CG1 4.19Å |
| 338 | D | 95 | Very high | 87.2 | Confident | 21 Ų | 21 | 50.1 Ų | 50.1 | 11% | 0.112 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 115.2 | 176.5 | -79.1 | -29.4 | 0 | 0 | 0 | 109.6 | A183 S196 I228 S229 | A183-D338 HydrophobicContact CB-CB 3.88Å; A183-D338 PolarHBondContact N-OD2 3.45Å; S196-D338 VanDerWaalsContact CB-OD1 3.3Å; S196-D338 WeakPolarHBondContact CB-OD1 3.49Å; S196-D338 PolarHBondContact OG-OD1 2.85Å; I228-D338 WeakPolarHBondContact CA-O 3.45Å; S229-D338 PolarHBondContact N-O 3.24Å; S229-D338 PolarHBondContact O-N 2.87Å; S229-D338 WeakPolarHBondContact OG-CB 3.44Å |
| 339 | I | 95 | Very high | 85.7 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 100 | -174.4 | -47.8 | 172.2 | 0 | 0 | 0 | 109.4 | E195 V197 L214 L218 V221 I228 V337 R341 | E195-I339 HydrophobicContact CB-CB 4.49Å; E195-I339 PolarHBondContact N-O 3.27Å; E195-I339 PolarHBondContact O-N 2.73Å; V197-I339 HydrophobicContact CG2-CD1 3.8Å; L214-I339 HydrophobicContact CD1-CD1 4.47Å; L218-I339 HydrophobicContact CD2-CD1 3.48Å; L218-I339 VanDerWaalsContact CD2-CD1 3.48Å; L218-I339 HydrophobicContact CD2-CG1 3.58Å; L218-I339 HydrophobicContact CD2-CG2 4.33Å; V221-I339 HydrophobicContact CB-CG2 4.15Å; V221-I339 HydrophobicContact CG1-CG2 3.78Å; V221-I339 HydrophobicContact CG2-CG2 3.83Å; I228-I339 HydrophobicContact CG1-CG2 4.48Å; V337-I339 HydrophobicContact CG1-CD1 4.48Å; V337-I339 HydrophobicContact CG1-CG1 4.39Å; V337-I339 HydrophobicContact CG2-CG1 4.19Å; I339-R341 HydrophobicContact CG2-CG 4.4Å; I339-R341 VanDerWaalsContact CG2-CZ 3.49Å; I339-R341 PolarHBondContact O-NH1 3.18Å |
| 340 | C | 94.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 106.2 | -178 | -65.4 | 0 | 0 | 0 | 0 | 111.6 | I186 A192 G226 L227 | I186-C340 HydrophobicContact CB-CB 4.23Å; I186-C340 HydrophobicContact CD1-CB 4.49Å; I186-C340 HydrophobicContact CG2-CB 3.34Å; I186-C340 VanDerWaalsContact CG2-SG 3.53Å; A192-C340 HydrophobicContact CB-CB 4.09Å; G226-C340 CarbonylContact C-O 3.54Å; G226-C340 WeakPolarHBondContact CA-O 3.36Å; L227-C340 HydrophobicContact CB-CB 4.32Å; L227-C340 PolarHBondContact N-O 3.35Å; L227-C340 WeakPolarHBondContact O-CA 3.28Å; L227-C340 VanDerWaalsContact O-CB 3.31Å; L227-C340 WeakPolarHBondContact O-CB 3.47Å; L227-C340 PolarHBondContact O-N 2.88Å |
| 341 | R | 91.7 | Very high | 82.6 | Confident | 35 Ų | 35 | 59.1 Ų | 59.1 | 13% | 0.132 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 122 | -175.4 | -65.8 | 178.6 | -179.6 | 78.6 | -6.8 | 111.4 | V193 E195 D217 V221 I339 V343 | V193-R341 PolarHBondContact N-O 3.39Å; V193-R341 VanDerWaalsContact N-O 3.11Å; V193-R341 PolarHBondContact O-N 3.05Å; E195-R341 VanDerWaalsContact CB-NH1 3.35Å; E195-R341 IonicContact OE2-CZ 2.66Å; E195-R341 IonicContact OE2-NH1 2.6Å; E195-R341 PolarHBondContact OE2-NH1 3.28Å; E195-R341 IonicContact OE2-NH2 2.82Å; E195-R341 PolarHBondContact OE2-NH2 3.09Å; D217-R341 IonicContact OD2-NH2 3.88Å; D217-R341 PolarHBondContact OD2-NH2 2.75Å; V221-R341 HydrophobicContact CG1-CG 4.22Å; V221-R341 HydrophobicContact CG2-CG 4.01Å; I339-R341 HydrophobicContact CG2-CG 4.4Å; I339-R341 VanDerWaalsContact CG2-CZ 3.49Å; I339-R341 PolarHBondContact O-NH1 3.18Å; R341-V343 HydrophobicContact CB-CG2 4.23Å; R341-V343 PolarHBondContact O-N 2.65Å; R341-V343 VanDerWaalsContact O-N 3.14Å |
| 342 | I | 86.3 | Confident | 81.5 | Confident | 61 Ų | 61 | 62.8 Ų | 62.8 | 31% | 0.313 | 31% | 0.308 | S | S | . | . | trans | -76.8 | 95.8 | 162.5 | -53.3 | -59.8 | 0 | 0 | 0 | 107.5 | L96 T190 A192 G225 N344 | L96-I342 HydrophobicContact CD1-CD1 3.82Å; L96-I342 HydrophobicContact CD1-CG1 4.09Å; L96-I342 HydrophobicContact CD2-CD1 4.23Å; T190-I342 HydrophobicContact CG2-CD1 4.24Å; A192-I342 HydrophobicContact CB-CD1 3.99Å; G225-I342 VanDerWaalsContact O-CG1 3.31Å; G225-I342 WeakPolarHBondContact O-CG1 3.42Å; I342-N344 PolarHBondContact O-N 3.44Å | ||
| 343 | V | 79.1 | Confident | 80.8 | Confident | 28 Ų | 28 | 61.5 Ų | 61.5 | 17% | 0.17 | 31% | 0.306 | C | S | . | . | trans | -76.9 | 113 | -175.4 | -173.5 | 0 | 0 | 0 | 0 | 109.8 | V193 R341 T345 W354 F490 | V193-V343 HydrophobicContact CB-CG2 4.37Å; V193-V343 HydrophobicContact CG2-CG2 3.91Å; R341-V343 HydrophobicContact CB-CG2 4.23Å; R341-V343 PolarHBondContact O-N 2.65Å; R341-V343 VanDerWaalsContact O-N 3.14Å; V343-T345 HydrophobicContact CG1-CG2 4.49Å; V343-T345 PolarHBondContact O-N 2.95Å; V343-W354 HydrophobicContact CG1-CB 3.58Å; V343-W354 VanDerWaalsContact CG1-CD1 3.47Å; V343-W354 HydrophobicContact CG1-CD2 4.42Å; V343-W354 HydrophobicContact CG1-CG 3.54Å; V343-F490 HydrophobicContact CB-CD1 4.18Å; V343-F490 HydrophobicContact CB-CE1 3.89Å; V343-F490 HydrophobicContact CG1-CD1 3.61Å; V343-F490 HydrophobicContact CG1-CE1 3.83Å; V343-F490 HydrophobicContact CG1-CG 4.49Å; V343-F490 HydrophobicContact CG2-CD1 4.3Å; V343-F490 HydrophobicContact CG2-CE1 4Å; V343-F490 HydrophobicContact CG2-CZ 4.38Å | ||
| 344 | N | 76.1 | Confident | 80.3 | Confident | 50 Ų | 50 | 60.7 Ų | 60.7 | 27% | 0.267 | 30% | 0.299 | S | S | . | . | trans | -67.4 | 116.7 | 176 | -175.3 | 3 | 0 | 0 | 0 | 110.9 | I342 S346 S349 T353 W354 | I342-N344 PolarHBondContact O-N 3.44Å; N344-S346 WeakPolarHBondContact OD1-CB 3.48Å; N344-S346 PolarHBondContact OD1-N 3.27Å; N344-S349 VanDerWaalsContact ND2-CB 3.33Å; N344-S349 WeakPolarHBondContact ND2-CB 3.46Å; N344-S349 PolarHBondContact ND2-OG 3.35Å; N344-T353 CarbonylContact O-C 3.56Å; N344-T353 WeakPolarHBondContact O-CA 3.47Å; N344-W354 PolarHBondContact O-N 2.91Å | ||
| 345 | T | 73.3 | Confident | 80 | Confident | 66 Ų | 66 | 61.4 Ų | 61.4 | 41% | 0.405 | 30% | 0.303 | S | S | . | . | trans | -117 | 6.8 | 178.1 | 53.1 | 0 | 0 | 0 | 0 | 112.1 | V343 K356 | V343-T345 HydrophobicContact CG1-CG2 4.49Å; V343-T345 PolarHBondContact O-N 2.95Å; T345-K356 HydrophobicContact CG2-CB 3.72Å; T345-K356 HydrophobicContact CG2-CD 4.44Å | ||
| 346 | S | 69.6 | Low | 79.9 | Confident | 58 Ų | 58 | 64.6 Ų | 64.6 | 41% | 0.406 | 32% | 0.315 | S | S | . | . | trans | -75.4 | 125.2 | -176.7 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | N344 F348 T353 | N344-S346 WeakPolarHBondContact OD1-CB 3.48Å; N344-S346 PolarHBondContact OD1-N 3.27Å; S346-F348 PolarHBondContact O-N 3.22Å; S346-F348 PolarHBondContact OG-N 3.32Å; S346-T353 WeakPolarHBondContact O-CG2 3.48Å | ||
| 347 | Y | 60.2 | Low | 79.9 | Confident | 202 Ų | 202 | 66.8 Ų | 66.8 | 79% | 0.792 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -16.6 | 177.6 | -68.5 | -77.9 | 0 | 0 | 0 | 114.1 | ||
| 348 | F | 61.4 | Low | 79.9 | Confident | 202 Ų | 202 | 69.6 Ų | 69.6 | 89% | 0.886 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 28.6 | -175.4 | -61.5 | -74.2 | 0 | 0 | 0 | 113.5 | S346 | S346-F348 PolarHBondContact O-N 3.22Å; S346-F348 PolarHBondContact OG-N 3.32Å |
| 349 | S | 61.5 | Low | 80 | Confident | 36 Ų | 36 | 70.7 Ų | 70.7 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | trans | -99.9 | 139.7 | -177.5 | 161.9 | 0 | 0 | 0 | 0 | 112.6 | N344 H351 | N344-S349 VanDerWaalsContact ND2-CB 3.33Å; N344-S349 WeakPolarHBondContact ND2-CB 3.46Å; N344-S349 PolarHBondContact ND2-OG 3.35Å; S349-H351 VanDerWaalsContact C-N 3.26Å; S349-H351 PolarHBondContact O-N 2.86Å; S349-H351 PolarHBondContact OG-N 3.03Å; S349-H351 PolarHBondContact OG-O 3.13Å | ||
| 350 | I | 62.6 | Low | 80.1 | Confident | 165 Ų | 165 | 75.3 Ų | 75.3 | 85% | 0.846 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -74.2 | -15.6 | 169.3 | 60.2 | 171.4 | 0 | 0 | 0 | 113.2 | ||
| 351 | H | 65.3 | Low | 80.3 | Confident | 117 Ų | 117 | 76 Ų | 76 | 54% | 0.542 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -96.1 | 159.4 | 176.8 | -59.5 | -56.3 | 0 | 0 | 0 | 112 | S349 T353 | S349-H351 VanDerWaalsContact C-N 3.26Å; S349-H351 PolarHBondContact O-N 2.86Å; S349-H351 PolarHBondContact OG-N 3.03Å; S349-H351 PolarHBondContact OG-O 3.13Å; H351-T353 WeakPolarHBondContact O-CG2 3.36Å; H351-T353 PolarHBondContact O-N 3.1Å |
| 352 | K | 72.4 | Confident | 80.6 | Confident | 81 Ų | 81 | 75.9 Ų | 75.9 | 35% | 0.352 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -46.1 | 122.3 | 175.3 | -179.3 | 175.5 | -179.2 | 173.3 | 0 | 111.1 | W354 D492 | K352-W354 HydrophobicContact CD-CZ2 4.5Å; K352-D492 WeakPolarHBondContact CE-OD1 3.47Å; K352-D492 IonicContact NZ-OD1 3.14Å; K352-D492 PolarHBondContact NZ-OD1 3.01Å; K352-D492 IonicContact NZ-OD2 3.28Å; K352-D492 PolarHBondContact NZ-OD2 3.14Å |
| 353 | T | 79.1 | Confident | 81.1 | Confident | 51 Ų | 51 | 73 Ų | 73 | 31% | 0.313 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -100.9 | 154 | 174.7 | 58.1 | 0 | 0 | 0 | 0 | 109.5 | N344 S346 H351 | N344-T353 CarbonylContact O-C 3.56Å; N344-T353 WeakPolarHBondContact O-CA 3.47Å; S346-T353 WeakPolarHBondContact O-CG2 3.48Å; H351-T353 WeakPolarHBondContact O-CG2 3.36Å; H351-T353 PolarHBondContact O-N 3.1Å |
| 354 | W | 84.8 | Confident | 82 | Confident | 34 Ų | 34 | 74.6 Ų | 74.6 | 13% | 0.129 | 37% | 0.372 | C | S | . | . | trans | -118.1 | 140.7 | 175.4 | -68.3 | 85 | 0 | 0 | 0 | 109.5 | V343 N344 K352 K400 L402 F490 | V343-W354 HydrophobicContact CG1-CB 3.58Å; V343-W354 VanDerWaalsContact CG1-CD1 3.47Å; V343-W354 HydrophobicContact CG1-CD2 4.42Å; V343-W354 HydrophobicContact CG1-CG 3.54Å; N344-W354 PolarHBondContact O-N 2.91Å; K352-W354 HydrophobicContact CD-CZ2 4.5Å; W354-K400 HydrophobicContact CH2-CB 4.17Å; W354-K400 HydrophobicContact CH2-CD 4.08Å; W354-K400 HydrophobicContact CH2-CG 4.05Å; W354-K400 VanDerWaalsContact CZ3-O 3.28Å; W354-K400 WeakPolarHBondContact CZ3-O 3Å; W354-L402 HydrophobicContact CE3-CD1 4.45Å; W354-L402 HydrophobicContact CH2-CD1 3.8Å; W354-L402 HydrophobicContact CH2-CD2 4.22Å; W354-L402 HydrophobicContact CH2-CG 3.82Å; W354-L402 HydrophobicContact CZ2-CD1 3.98Å; W354-L402 HydrophobicContact CZ2-CG 4.49Å; W354-L402 HydrophobicContact CZ3-CD1 4.05Å; W354-L402 HydrophobicContact CZ3-CG 3.88Å; W354-F490 HydrophobicContact CB-CD1 4.42Å; W354-F490 HydrophobicContact CD2-CB 4.35Å; W354-F490 HydrophobicContact CE3-CB 3.75Å; W354-F490 HydrophobicContact CZ3-CB 4.31Å | ||
| 355 | E | 88 | Confident | 83 | Confident | 21 Ų | 21 | 79.4 Ų | 79.4 | 10% | 0.098 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 125 | 160.4 | -167 | -116.2 | -179.1 | 0 | 0 | 108.4 | K357 F490 T491 P494 S495 | E355-K357 WeakPolarHBondContact OE1-CE 3.39Å; E355-K357 WeakPolarHBondContact OE1-CG 3.45Å; E355-F490 VanDerWaalsContact O-CA 3.26Å; E355-F490 WeakPolarHBondContact O-CA 3.2Å; E355-T491 PolarHBondContact N-O 3.41Å; E355-T491 PolarHBondContact O-N 2.82Å; E355-T491 VanDerWaalsContact O-N 3.14Å; E355-T491 PolarHBondContact OE2-OG1 3.33Å; E355-P494 HydrophobicContact CG-CB 4.31Å; E355-P494 HydrophobicContact CG-CG 4.29Å; E355-S495 PolarHBondContact OE2-N 3.5Å; E355-S495 PolarHBondContact OE2-OG 2.87Å |
| 356 | K | 92.4 | Very high | 84.1 | Confident | 82 Ų | 82 | 79.4 Ų | 79.4 | 36% | 0.357 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129.9 | 174.9 | 175.8 | -175.4 | 176.3 | -178.4 | 0 | 109.5 | T345 L489 F490 | T345-K356 HydrophobicContact CG2-CB 3.72Å; T345-K356 HydrophobicContact CG2-CD 4.44Å; K356-L489 WeakPolarHBondContact CA-O 2.91Å; K356-F490 HydrophobicContact CB-CD1 3.86Å; K356-F490 HydrophobicContact CB-CE1 3.75Å; K356-F490 HydrophobicContact CD-CE1 3.72Å; K356-F490 HydrophobicContact CD-CZ 4.1Å; K356-F490 HydrophobicContact CG-CD1 4.06Å; K356-F490 HydrophobicContact CG-CE1 3.51Å; K356-F490 HydrophobicContact CG-CZ 3.98Å |
| 357 | K | 94.4 | Very high | 85.3 | Confident | 92 Ų | 92 | 82 Ų | 82 | 40% | 0.4 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 136.4 | 162.5 | -70 | -71.4 | 176.5 | -179.1 | 0 | 110.2 | E355 R488 L489 L497 | E355-K357 WeakPolarHBondContact OE1-CE 3.39Å; E355-K357 WeakPolarHBondContact OE1-CG 3.45Å; K357-R488 CarbonylContact O-C 3.47Å; K357-R488 WeakPolarHBondContact O-CA 3.24Å; K357-L489 PolarHBondContact N-O 3.05Å; K357-L489 PolarHBondContact O-N 2.87Å; K357-L497 HydrophobicContact CB-CB 3.86Å; K357-L497 HydrophobicContact CB-CD2 3.7Å; K357-L497 HydrophobicContact CB-CG 4.38Å; K357-L497 HydrophobicContact CG-CB 4.12Å |
| 358 | M | 95.2 | Very high | 87 | Confident | 58 Ų | 58 | 77.8 Ų | 77.8 | 29% | 0.286 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 129.8 | 177.5 | -176.2 | 171.9 | 76.1 | 0 | 0 | 108.7 | W126 L487 R488 | W126-M358 HydrophobicContact CZ2-SD 4.39Å; M358-L487 CarbonylContact C-O 3.51Å; M358-L487 VanDerWaalsContact CA-O 3.31Å; M358-L487 WeakPolarHBondContact CA-O 3.35Å; M358-R488 HydrophobicContact CB-CG 4.24Å; M358-R488 HydrophobicContact CG-CG 3.85Å; M358-R488 HydrophobicContact SD-CG 4.2Å |
| 359 | M | 97.1 | Very high | 88.5 | Confident | 45 Ų | 45 | 71.7 Ų | 71.7 | 22% | 0.222 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129.7 | 178.4 | -58.6 | -62.2 | -63.9 | 0 | 0 | 108.6 | Y390 I486 L487 L497 E499 | M359-Y390 HydrophobicContact CB-CD1 4.12Å; M359-Y390 HydrophobicContact CB-CE1 3.62Å; M359-Y390 HydrophobicContact CE-CD1 4.25Å; M359-Y390 HydrophobicContact CE-CE1 3.97Å; M359-Y390 HydrophobicContact CG-CD1 3.92Å; M359-Y390 HydrophobicContact CG-CE1 3.91Å; M359-I486 WeakPolarHBondContact O-CA 3.25Å; M359-L487 HydrophobicContact CB-CB 4.4Å; M359-L487 PolarHBondContact N-O 3.42Å; M359-L487 PolarHBondContact O-N 2.86Å; M359-L497 HydrophobicContact CG-CD2 3.59Å; M359-L497 HydrophobicContact CG-CG 3.98Å; M359-E499 HydrophobicContact CE-CB 4.47Å |
| 360 | H | 97.4 | Very high | 90 | Very high | 97 Ų | 97 | 73.8 Ų | 73.8 | 45% | 0.449 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 132.2 | 166.2 | -62.1 | 90.2 | 0 | 0 | 0 | 108.3 | I486 | H360-I486 WeakPolarHBondContact CD2-CG2 3.22Å |
| 361 | G | 97.7 | Very high | 91.6 | Very high | 15 Ų | 15 | 70.3 Ų | 70.3 | 16% | 0.155 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 172.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y390 K484 F485 | G361-Y390 WeakPolarHBondContact CA-OH 3.38Å; G361-K484 WeakPolarHBondContact O-CA 3.27Å; G361-F485 PolarHBondContact N-O 2.78Å; G361-F485 PolarHBondContact O-N 2.91Å; G361-F485 VanDerWaalsContact O-O 3.05Å |
| 362 | A | 98 | Very high | 93.1 | Very high | 33 Ų | 33 | 65.5 Ų | 65.5 | 27% | 0.273 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 141.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | T364 P388 T483 K484 | A362-T364 HydrophobicContact CB-CG2 3.89Å; A362-P388 WeakPolarHBondContact O-CG 3.44Å; A362-T483 WeakPolarHBondContact CA-O 3.28Å; A362-K484 HydrophobicContact CB-CG 4.2Å |
| 363 | W | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 117.9 | 161.2 | -58.1 | -74.5 | 0 | 0 | 0 | 107.1 | R373 L405 I424 P474 T475 T476 I481 I482 T483 F485 | W363-R373 WeakPolarHBondContact CA-O 3.5Å; W363-R373 VanDerWaalsContact CD1-O 3.23Å; W363-L405 HydrophobicContact CH2-CD2 4.4Å; W363-L405 HydrophobicContact CZ2-CD2 4.29Å; W363-I424 HydrophobicContact CH2-CB 4.25Å; W363-I424 HydrophobicContact CH2-CG2 3.62Å; W363-I424 HydrophobicContact CZ2-CG2 4.46Å; W363-I424 HydrophobicContact CZ3-CG2 4.06Å; W363-P474 HydrophobicContact CZ2-CB 4.24Å; W363-P474 PolarHBondContact NE1-O 3.02Å; W363-T475 VanDerWaalsContact CZ2-C 3.43Å; W363-T476 HydrophobicContact CD2-CG2 3.79Å; W363-T476 HydrophobicContact CE3-CG2 3.71Å; W363-T476 HydrophobicContact CG-CG2 4.34Å; W363-T476 HydrophobicContact CH2-CG2 4.19Å; W363-T476 HydrophobicContact CZ2-CG2 4.3Å; W363-T476 HydrophobicContact CZ3-CG2 3.91Å; W363-I481 WeakPolarHBondContact CB-O 3.3Å; W363-I482 WeakPolarHBondContact O-CA 3.12Å; W363-I482 WeakPolarHBondContact O-CG2 3.29Å; W363-T483 HydrophobicContact CE3-CG2 3.33Å; W363-T483 HydrophobicContact CZ3-CG2 3.52Å; W363-T483 PolarHBondContact N-O 2.77Å; W363-T483 PolarHBondContact O-N 2.66Å; W363-F485 AromaticContact CD2-CD1 3.67Å; W363-F485 HydrophobicContact CD2-CD1 3.67Å; W363-F485 AromaticContact CD2-CE1 3.97Å; W363-F485 HydrophobicContact CD2-CE1 3.97Å; W363-F485 AromaticContact CE2-CD1 3.67Å; W363-F485 AromaticContact CE2-CE1 3.84Å; W363-F485 AromaticContact CE3-CD1 3.66Å; W363-F485 HydrophobicContact CE3-CD1 3.66Å; W363-F485 HydrophobicContact CE3-CE1 4.4Å; W363-F485 HydrophobicContact CG-CD1 4.44Å; W363-F485 HydrophobicContact CG-CE1 4.33Å; W363-F485 HydrophobicContact CH2-CB 3.82Å; W363-F485 AromaticContact CH2-CD1 3.78Å; W363-F485 HydrophobicContact CH2-CD1 3.78Å; W363-F485 HydrophobicContact CH2-CG 4.02Å; W363-F485 HydrophobicContact CZ2-CB 4.48Å; W363-F485 AromaticContact CZ2-CD1 3.74Å; W363-F485 HydrophobicContact CZ2-CD1 3.74Å; W363-F485 HydrophobicContact CZ2-CE1 4.22Å; W363-F485 HydrophobicContact CZ2-CG 4.2Å; W363-F485 HydrophobicContact CZ3-CB 3.85Å; W363-F485 AromaticContact CZ3-CD1 3.74Å; W363-F485 HydrophobicContact CZ3-CD1 3.74Å; W363-F485 HydrophobicContact CZ3-CG 4.19Å |
| 364 | T | 97.8 | Very high | 95.2 | Very high | 62 Ų | 62 | 60.7 Ų | 60.7 | 38% | 0.38 | 32% | 0.317 | S | S | . | . | trans | -127.8 | 147.7 | -176.2 | 55.4 | 0 | 0 | 0 | 0 | 109.7 | A362 N372 R373 S374 | A362-T364 HydrophobicContact CB-CG2 3.89Å; T364-N372 PolarHBondContact O-OD1 3.19Å; T364-R373 CarbonylContact O-C 3.55Å; T364-R373 WeakPolarHBondContact O-CA 3.46Å; T364-R373 PolarHBondContact O-N 2.91Å; T364-R373 WeakPolarHBondContact OG1-CB 3.23Å; T364-S374 PolarHBondContact O-N 3.04Å; T364-S374 PolarHBondContact O-OG 3.34Å | ||
| 365 | K | 96.9 | Very high | 95.8 | Very high | 151 Ų | 151 | 59.1 Ų | 59.1 | 66% | 0.657 | 31% | 0.311 | S | S | * | . | trans | -94.9 | 134.5 | 179.5 | -172 | 174.4 | -178.8 | 177.7 | 0 | 110.2 | N372 I482 | K365-N372 WeakPolarHBondContact CA-OD1 3.34Å; K365-I482 HydrophobicContact CB-CD1 3.64Å; K365-I482 HydrophobicContact CB-CG1 4.02Å | ||
| 366 | N | 97.2 | Very high | 96.3 | Very high | 65 Ų | 65 | 58.1 Ų | 58.1 | 35% | 0.348 | 31% | 0.307 | S | S | . | . | trans | -140.8 | 148.8 | 170.4 | -160.1 | -69.7 | 0 | 0 | 0 | 109.8 | E368 L371 N372 | N366-E368 VanDerWaalsContact C-N 3.33Å; N366-E368 WeakPolarHBondContact OD1-CB 3.3Å; N366-E368 PolarHBondContact OD1-N 3.01Å; N366-L371 HydrophobicContact CB-CB 3.94Å; N366-N372 HydrophobicContact CB-CB 4.34Å; N366-N372 PolarHBondContact N-OD1 3.42Å | ||
| 367 | S | 94.4 | Very high | 96.6 | Very high | 112 Ų | 112 | 54.3 Ų | 54.3 | 78% | 0.783 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -69.7 | -32.5 | 174.1 | 50.8 | 0 | 0 | 0 | 0 | 112.2 | P369 | S367-P369 WeakPolarHBondContact O-CD 3.43Š|
| 368 | E | 95.4 | Very high | 96.7 | Very high | 114 Ų | 114 | 52.3 Ų | 52.3 | 53% | 0.533 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -78.8 | 117.7 | 175.9 | -63.1 | -59.5 | 155.1 | 0 | 0 | 110.2 | N366 L370 L371 N372 | N366-E368 VanDerWaalsContact C-N 3.33Å; N366-E368 WeakPolarHBondContact OD1-CB 3.3Å; N366-E368 PolarHBondContact OD1-N 3.01Å; E368-L370 VanDerWaalsContact C-N 3.27Å; E368-L370 PolarHBondContact O-N 3.14Å; E368-L370 VanDerWaalsContact O-N 3.16Å; E368-L371 HydrophobicContact CB-CB 4.14Å; E368-L371 HydrophobicContact CB-CD1 4.07Å; E368-L371 HydrophobicContact CB-CG 4.08Å; E368-L371 HydrophobicContact CG-CD1 4.38Å; E368-L371 CarbonylContact O-C 3.46Å; E368-L371 WeakPolarHBondContact O-CA 3.31Å; E368-L371 PolarHBondContact O-N 3.22Å; E368-N372 PolarHBondContact O-N 3.44Å |
| 369 | P | 93.1 | Very high | 96.7 | Very high | 75 Ų | 75 | 55.1 Ų | 55.1 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -35.9 | -174.4 | -29.1 | 36.5 | 0 | 0 | 0 | 114.6 | S367 L371 N372 | S367-P369 WeakPolarHBondContact O-CD 3.43Å; P369-L371 VanDerWaalsContact C-N 3.25Å; P369-L371 PolarHBondContact O-N 3.33Å; P369-N372 PolarHBondContact O-N 2.69Å |
| 370 | L | 93.1 | Very high | 96.6 | Very high | 79 Ų | 79 | 55.2 Ų | 55.2 | 41% | 0.414 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -20.3 | 178.2 | -64.8 | 178.3 | 0 | 0 | 0 | 113.2 | E368 R373 | E368-L370 VanDerWaalsContact C-N 3.27Å; E368-L370 PolarHBondContact O-N 3.14Å; E368-L370 VanDerWaalsContact O-N 3.16Å; L370-R373 PolarHBondContact O-NH1 2.88Å; L370-R373 PolarHBondContact O-NH2 3.47Å |
| 371 | L | 95.6 | Very high | 96.4 | Very high | 93 Ų | 93 | 60.7 Ų | 60.7 | 49% | 0.487 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -15.7 | 177.5 | -58.4 | -177.2 | 0 | 0 | 0 | 112.6 | N366 E368 P369 R373 | N366-L371 HydrophobicContact CB-CB 3.94Å; E368-L371 HydrophobicContact CB-CB 4.14Å; E368-L371 HydrophobicContact CB-CD1 4.07Å; E368-L371 HydrophobicContact CB-CG 4.08Å; E368-L371 HydrophobicContact CG-CD1 4.38Å; E368-L371 CarbonylContact O-C 3.46Å; E368-L371 WeakPolarHBondContact O-CA 3.31Å; E368-L371 PolarHBondContact O-N 3.22Å; P369-L371 VanDerWaalsContact C-N 3.25Å; P369-L371 PolarHBondContact O-N 3.33Å; L371-R373 PolarHBondContact O-NH1 3.24Å |
| 372 | N | 97.1 | Very high | 96.2 | Very high | 15 Ų | 15 | 67.2 Ų | 67.2 | 8% | 0.08 | 35% | 0.348 | C | S | . | . | trans | -65.3 | 142.2 | 175.3 | -170.7 | 55.4 | 0 | 0 | 0 | 110.5 | T364 K365 N366 E368 P369 S374 Q386 | T364-N372 PolarHBondContact O-OD1 3.19Å; K365-N372 WeakPolarHBondContact CA-OD1 3.34Å; N366-N372 HydrophobicContact CB-CB 4.34Å; N366-N372 PolarHBondContact N-OD1 3.42Å; E368-N372 PolarHBondContact O-N 3.44Å; P369-N372 PolarHBondContact O-N 2.69Å; N372-S374 PolarHBondContact OD1-OG 2.81Å; N372-Q386 HydrophobicContact CB-CB 4.46Å; N372-Q386 PolarHBondContact ND2-OE1 3.33Å; N372-Q386 CarbonylContact O-C 3.47Å | ||
| 373 | R | 98 | Very high | 96.2 | Very high | 29 Ų | 29 | 67.6 Ų | 67.6 | 11% | 0.109 | 35% | 0.347 | C | S | . | . | trans | -130.6 | 12.2 | -178.9 | -62 | -69.7 | 175.8 | -89.4 | -0.3 | 112.7 | W363 T364 L370 L371 Q386 N387 P388 | W363-R373 WeakPolarHBondContact CA-O 3.5Å; W363-R373 VanDerWaalsContact CD1-O 3.23Å; T364-R373 CarbonylContact O-C 3.55Å; T364-R373 WeakPolarHBondContact O-CA 3.46Å; T364-R373 PolarHBondContact O-N 2.91Å; T364-R373 WeakPolarHBondContact OG1-CB 3.23Å; L370-R373 PolarHBondContact O-NH1 2.88Å; L370-R373 PolarHBondContact O-NH2 3.47Å; L371-R373 PolarHBondContact O-NH1 3.24Å; R373-Q386 WeakPolarHBondContact CA-O 3.46Å; R373-Q386 WeakPolarHBondContact CD-O 3.29Å; R373-N387 PolarHBondContact O-OD1 3.16Å; R373-P388 HydrophobicContact CB-CG 4.14Å; R373-P388 WeakPolarHBondContact O-CD 3.28Å | ||
| 374 | S | 98 | Very high | 96.2 | Very high | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | trans | -118.9 | 67.2 | 179.5 | 60 | 0 | 0 | 0 | 0 | 110.1 | T364 N372 G480 I481 | T364-S374 PolarHBondContact O-N 3.04Å; T364-S374 PolarHBondContact O-OG 3.34Å; N372-S374 PolarHBondContact OD1-OG 2.81Å; S374-G480 PolarHBondContact O-N 2.75Å; S374-G480 WeakPolarHBondContact OG-CA 3.26Å; S374-I481 VanDerWaalsContact CB-O 3.32Å; S374-I481 WeakPolarHBondContact CB-O 3.36Å | ||
| 375 | G | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | trans | -89.9 | -5.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | N380 T383 F384 N387 | G375-N380 WeakPolarHBondContact O-CB 3.37Å; G375-T383 WeakPolarHBondContact CA-O 3.2Å; G375-T383 CarbonylContact O-C 3.6Å; G375-T383 PolarHBondContact O-OG1 2.95Å; G375-F384 PolarHBondContact O-N 3.21Å; G375-N387 WeakPolarHBondContact CA-ND2 3.44Å; G375-N387 PolarHBondContact N-OD1 3.13Å | ||
| 376 | G | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | 73.5 | -179.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N387 T475 T476 | G376-N387 PolarHBondContact N-ND2 3.46Å; G376-N387 PolarHBondContact O-ND2 3.48Å; G376-T475 WeakPolarHBondContact O-CB 3.31Å; G376-T475 WeakPolarHBondContact O-CG2 3.46Å; G376-T476 CarbonylContact C-O 3.48Å; G376-T476 VanDerWaalsContact CA-O 3.23Å; G376-T476 WeakPolarHBondContact CA-O 3.23Å | ||
| 377 | C | 97.5 | Very high | 96.3 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -70.7 | 176.8 | -178 | 70.2 | 0 | 0 | 0 | 0 | 112.7 | D379 N380 Y453 T476 Y477 | C377-D379 PolarHBondContact O-N 3.03Å; C377-N380 PolarHBondContact N-ND2 3.43Å; C377-N380 VanDerWaalsContact N-ND2 3.18Å; C377-N380 WeakPolarHBondContact O-CB 3.27Å; C377-N380 PolarHBondContact O-N 3.12Å; C377-N380 PolarHBondContact O-ND2 3.28Å; C377-N380 PolarHBondContact SG-ND2 2.98Å; C377-N380 VanDerWaalsContact SG-ND2 3.43Å; C377-Y453 HydrophobicContact CB-CD1 4.22Å; C377-Y453 HydrophobicContact CB-CE1 3.43Å; C377-Y453 VanDerWaalsContact CB-CE1 3.43Å; C377-Y453 HydrophobicContact CB-CE2 4.35Å; C377-T476 PolarHBondContact N-O 3.31Å; C377-Y477 HydrophobicContact CB-CD2 4.26Å; C377-Y477 PolarHBondContact N-O 3.07Å; C377-Y477 PolarHBondContact SG-O 3.47Å |
| 378 | F | 96.3 | Very high | 96.5 | Very high | 50 Ų | 50 | 52.3 Ų | 52.3 | 22% | 0.219 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -25.5 | -177.1 | -169.6 | -101.8 | 0 | 0 | 0 | 114.9 | N380 F384 E427 F429 L442 R447 | F378-N380 PolarHBondContact O-N 3.08Å; F378-F384 HydrophobicContact CB-CD2 4.38Å; F378-F384 HydrophobicContact CB-CE2 4.28Å; F378-F384 HydrophobicContact CD2-CD1 4.04Å; F378-F384 AromaticContact CD2-CE1 3.79Å; F378-F384 HydrophobicContact CD2-CE1 3.79Å; F378-F384 HydrophobicContact CD2-CE2 4.28Å; F378-F384 HydrophobicContact CD2-CG 4.41Å; F378-F384 AromaticContact CD2-CZ 3.93Å; F378-F384 HydrophobicContact CD2-CZ 3.93Å; F378-F384 HydrophobicContact CE2-CE1 4.28Å; F378-E427 HydrophobicContact CB-CG 4.21Å; F378-E427 HydrophobicContact CD2-CG 4.39Å; F378-F429 AromaticContact CD2-CZ 3.91Å; F378-F429 HydrophobicContact CD2-CZ 3.91Å; F378-F429 AromaticContact CE2-CE1 3.99Å; F378-F429 HydrophobicContact CE2-CE1 3.99Å; F378-F429 AromaticContact CE2-CZ 3.6Å; F378-F429 HydrophobicContact CE2-CZ 3.6Å; F378-L442 HydrophobicContact CE2-CD1 3.58Å; F378-L442 HydrophobicContact CZ-CD1 4.21Å; F378-R447 VanDerWaalsContact CD1-NH1 3.31Å |
| 379 | D | 95.6 | Very high | 96.6 | Very high | 117 Ų | 117 | 46.9 Ų | 46.9 | 63% | 0.626 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -22.9 | 177.7 | -61.3 | -30.1 | 0 | 0 | 0 | 112.2 | C377 R381 | C377-D379 PolarHBondContact O-N 3.03Å; D379-R381 VanDerWaalsContact C-N 3.25Å; D379-R381 PolarHBondContact O-N 3.49Å |
| 380 | N | 96.1 | Very high | 96.9 | Very high | 47 Ų | 47 | 43.3 Ų | 43.3 | 25% | 0.251 | 21% | 0.211 | S | C | . | . | trans | -83.8 | 61.9 | 176.2 | -56.7 | -84.2 | 0 | 0 | 0 | 111 | G375 C377 F378 D382 T383 F384 Y477 P479 | G375-N380 WeakPolarHBondContact O-CB 3.37Å; C377-N380 PolarHBondContact N-ND2 3.43Å; C377-N380 VanDerWaalsContact N-ND2 3.18Å; C377-N380 WeakPolarHBondContact O-CB 3.27Å; C377-N380 PolarHBondContact O-N 3.12Å; C377-N380 PolarHBondContact O-ND2 3.28Å; C377-N380 PolarHBondContact SG-ND2 2.98Å; C377-N380 VanDerWaalsContact SG-ND2 3.43Å; F378-N380 PolarHBondContact O-N 3.08Å; N380-D382 PolarHBondContact O-N 2.97Å; N380-T383 PolarHBondContact O-N 3.42Å; N380-F384 WeakPolarHBondContact O-CB 3.36Å; N380-F384 PolarHBondContact O-N 3Å; N380-Y477 PolarHBondContact ND2-O 3.16Å; N380-P479 WeakPolarHBondContact OD1-CD 3.26Å | ||
| 381 | R | 93.4 | Very high | 97.2 | Very high | 211 Ų | 211 | 39.7 Ų | 39.7 | 80% | 0.796 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49 | -38.7 | -168.2 | -65.4 | -175.6 | 179.7 | 179.4 | 1.3 | 115.1 | D379 T383 | D379-R381 VanDerWaalsContact C-N 3.25Å; D379-R381 PolarHBondContact O-N 3.49Å; R381-T383 VanDerWaalsContact C-N 3.34Å; R381-T383 PolarHBondContact O-N 3.43Å |
| 382 | D | 93.6 | Very high | 97.3 | Very high | 153 Ų | 153 | 35.3 Ų | 35.3 | 82% | 0.818 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -24.8 | -176.4 | -58 | -35.6 | 0 | 0 | 0 | 113.6 | N380 | N380-D382 PolarHBondContact O-N 2.97Š|
| 383 | T | 96.9 | Very high | 97.3 | Very high | 41 Ų | 41 | 35.7 Ų | 35.7 | 25% | 0.252 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -15.1 | -172.9 | 57.2 | 0 | 0 | 0 | 0 | 113.3 | G375 N380 R381 L385 Q386 | G375-T383 WeakPolarHBondContact CA-O 3.2Å; G375-T383 CarbonylContact O-C 3.6Å; G375-T383 PolarHBondContact O-OG1 2.95Å; N380-T383 PolarHBondContact O-N 3.42Å; R381-T383 VanDerWaalsContact C-N 3.34Å; R381-T383 PolarHBondContact O-N 3.43Å; T383-L385 VanDerWaalsContact C-N 3.32Å; T383-L385 PolarHBondContact O-N 3.34Å; T383-Q386 WeakPolarHBondContact O-CA 3.38Å; T383-Q386 WeakPolarHBondContact O-CB 3.37Å; T383-Q386 VanDerWaalsContact O-CG 3.29Å; T383-Q386 WeakPolarHBondContact O-CG 3.41Å; T383-Q386 PolarHBondContact O-N 3.01Å |
| 384 | F | 98.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -50.2 | -45.2 | -178.2 | 169.9 | -106.1 | 0 | 0 | 0 | 113.7 | G375 F378 N380 Q386 N387 E427 F429 I473 T475 | G375-F384 PolarHBondContact O-N 3.21Å; F378-F384 HydrophobicContact CB-CD2 4.38Å; F378-F384 HydrophobicContact CB-CE2 4.28Å; F378-F384 HydrophobicContact CD2-CD1 4.04Å; F378-F384 AromaticContact CD2-CE1 3.79Å; F378-F384 HydrophobicContact CD2-CE1 3.79Å; F378-F384 HydrophobicContact CD2-CE2 4.28Å; F378-F384 HydrophobicContact CD2-CG 4.41Å; F378-F384 AromaticContact CD2-CZ 3.93Å; F378-F384 HydrophobicContact CD2-CZ 3.93Å; F378-F384 HydrophobicContact CE2-CE1 4.28Å; N380-F384 WeakPolarHBondContact O-CB 3.36Å; N380-F384 PolarHBondContact O-N 3Å; F384-Q386 PolarHBondContact O-N 3.49Å; F384-N387 WeakPolarHBondContact O-CB 3.39Å; F384-N387 PolarHBondContact O-N 3.02Å; F384-N387 PolarHBondContact O-ND2 3.39Å; F384-E427 HydrophobicContact CE2-CB 4.44Å; F384-E427 HydrophobicContact CE2-CG 3.85Å; F384-E427 HydrophobicContact CZ-CB 3.88Å; F384-E427 HydrophobicContact CZ-CG 3.7Å; F384-F429 AromaticContact CE1-CE2 3.76Å; F384-F429 HydrophobicContact CE1-CE2 3.76Å; F384-F429 AromaticContact CE1-CZ 3.89Å; F384-F429 HydrophobicContact CE1-CZ 3.89Å; F384-F429 AromaticContact CZ-CE2 3.77Å; F384-F429 HydrophobicContact CZ-CE2 3.77Å; F384-F429 HydrophobicContact CZ-CZ 4.1Å; F384-I473 HydrophobicContact CE1-CD1 3.75Å; F384-I473 HydrophobicContact CE2-CB 4.43Å; F384-I473 HydrophobicContact CE2-CG2 4Å; F384-I473 HydrophobicContact CZ-CB 3.95Å; F384-I473 HydrophobicContact CZ-CD1 3.87Å; F384-I473 HydrophobicContact CZ-CG1 4.43Å; F384-I473 HydrophobicContact CZ-CG2 3.88Å; F384-T475 HydrophobicContact CD2-CG2 4Å; F384-T475 HydrophobicContact CE2-CG2 3.67Å |
| 385 | L | 97.7 | Very high | 96.9 | Very high | 27 Ų | 27 | 38.7 Ų | 38.7 | 14% | 0.141 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -74.1 | -8.1 | -179 | -67.2 | 177.2 | 0 | 0 | 0 | 113.7 | T383 N387 Q389 R438 L439 H440 L442 I473 | T383-L385 VanDerWaalsContact C-N 3.32Å; T383-L385 PolarHBondContact O-N 3.34Å; L385-N387 VanDerWaalsContact C-N 3.27Å; L385-Q389 PolarHBondContact O-NE2 3Å; L385-R438 PolarHBondContact O-NH2 2.84Å; L385-L439 HydrophobicContact CD2-CD2 4.12Å; L385-L439 HydrophobicContact CD2-CG 4.25Å; L385-H440 VanDerWaalsContact CD1-O 3.22Å; L385-H440 WeakPolarHBondContact CD1-O 3.35Å; L385-L442 HydrophobicContact CD1-CG 4.33Å; L385-L442 HydrophobicContact CD2-CD2 4.47Å; L385-L442 HydrophobicContact CD2-CG 4.47Å; L385-I473 HydrophobicContact CD2-CD1 3.67Å |
| 386 | Q | 97.6 | Very high | 96.7 | Very high | 36 Ų | 36 | 42.6 Ų | 42.6 | 17% | 0.168 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -70.9 | -26 | 172.3 | -56.6 | 175.5 | 5.7 | 0 | 0 | 111.2 | N372 R373 T383 F384 R438 | N372-Q386 HydrophobicContact CB-CB 4.46Å; N372-Q386 PolarHBondContact ND2-OE1 3.33Å; N372-Q386 CarbonylContact O-C 3.47Å; R373-Q386 WeakPolarHBondContact CA-O 3.46Å; R373-Q386 WeakPolarHBondContact CD-O 3.29Å; T383-Q386 WeakPolarHBondContact O-CA 3.38Å; T383-Q386 WeakPolarHBondContact O-CB 3.37Å; T383-Q386 VanDerWaalsContact O-CG 3.29Å; T383-Q386 WeakPolarHBondContact O-CG 3.41Å; T383-Q386 PolarHBondContact O-N 3.01Å; F384-Q386 PolarHBondContact O-N 3.49Å; Q386-R438 PolarHBondContact O-NH2 3.39Å |
| 387 | N | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -52.3 | 159.9 | 176.7 | -71.2 | -66.5 | 0 | 0 | 0 | 112.8 | R373 G375 G376 F384 L385 Q389 R438 I473 T475 | R373-N387 PolarHBondContact O-OD1 3.16Å; G375-N387 WeakPolarHBondContact CA-ND2 3.44Å; G375-N387 PolarHBondContact N-OD1 3.13Å; G376-N387 PolarHBondContact N-ND2 3.46Å; G376-N387 PolarHBondContact O-ND2 3.48Å; F384-N387 WeakPolarHBondContact O-CB 3.39Å; F384-N387 PolarHBondContact O-N 3.02Å; F384-N387 PolarHBondContact O-ND2 3.39Å; L385-N387 VanDerWaalsContact C-N 3.27Å; N387-Q389 WeakPolarHBondContact O-CG 3.35Å; N387-Q389 PolarHBondContact O-N 2.97Å; N387-R438 PolarHBondContact O-NH1 2.94Å; N387-R438 PolarHBondContact O-NH2 2.91Å; N387-I473 HydrophobicContact CB-CG2 3.65Å; N387-T475 HydrophobicContact CB-CG2 4.12Å; N387-T475 VanDerWaalsContact ND2-CG2 3.34Å; N387-T475 WeakPolarHBondContact ND2-CG2 3.47Å |
| 388 | P | 98.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.013 | 26% | 0.258 | C | S | . | . | trans | -53.4 | 142.7 | 170.4 | -26.5 | 37.8 | 0 | 0 | 0 | 110.6 | A362 R373 Y390 P474 F485 | A362-P388 WeakPolarHBondContact O-CG 3.44Å; R373-P388 HydrophobicContact CB-CG 4.14Å; R373-P388 WeakPolarHBondContact O-CD 3.28Å; P388-Y390 HydrophobicContact CB-CE2 3.73Å; P388-P474 WeakPolarHBondContact O-CD 3.23Å; P388-F485 HydrophobicContact CB-CZ 3.97Å; P388-F485 HydrophobicContact CG-CE1 3.97Å; P388-F485 HydrophobicContact CG-CZ 3.9Å | ||
| 389 | Q | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -127.1 | 126.7 | -177.7 | -61.4 | -179.3 | 12.1 | 0 | 0 | 108.5 | L385 N387 L439 V471 I473 E499 L500 | L385-Q389 PolarHBondContact O-NE2 3Å; N387-Q389 WeakPolarHBondContact O-CG 3.35Å; N387-Q389 PolarHBondContact O-N 2.97Å; Q389-L439 PolarHBondContact NE2-O 2.86Å; Q389-V471 HydrophobicContact CB-CG1 3.98Å; Q389-V471 HydrophobicContact CG-CG1 4.44Å; Q389-I473 HydrophobicContact CG-CD1 4.26Å; Q389-I473 HydrophobicContact CG-CG1 4.22Å; Q389-E499 CarbonylContact O-C 3.57Å; Q389-E499 WeakPolarHBondContact O-CA 3.41Å; Q389-L500 HydrophobicContact CB-CB 4.19Å; Q389-L500 HydrophobicContact CB-CD1 4.31Å; Q389-L500 PolarHBondContact O-N 3.13Å | ||
| 390 | Y | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 125 | -178.7 | -63.7 | -91.6 | 0 | 0 | 0 | 110.1 | M359 G361 P388 V471 L472 P474 F485 L487 R498 E499 | M359-Y390 HydrophobicContact CB-CD1 4.12Å; M359-Y390 HydrophobicContact CB-CE1 3.62Å; M359-Y390 HydrophobicContact CE-CD1 4.25Å; M359-Y390 HydrophobicContact CE-CE1 3.97Å; M359-Y390 HydrophobicContact CG-CD1 3.92Å; M359-Y390 HydrophobicContact CG-CE1 3.91Å; G361-Y390 WeakPolarHBondContact CA-OH 3.38Å; P388-Y390 HydrophobicContact CB-CE2 3.73Å; Y390-V471 CarbonylContact O-C 3.46Å; Y390-V471 WeakPolarHBondContact O-CA 3.45Å; Y390-L472 PolarHBondContact N-O 3.04Å; Y390-L472 PolarHBondContact O-N 3.22Å; Y390-P474 HydrophobicContact CD2-CG 4.01Å; Y390-P474 HydrophobicContact CE2-CG 3.74Å; Y390-F485 AromaticContact CE2-CE2 3.81Å; Y390-F485 HydrophobicContact CE2-CE2 3.81Å; Y390-F485 AromaticContact CE2-CZ 3.85Å; Y390-F485 HydrophobicContact CE2-CZ 3.85Å; Y390-F485 AromaticContact CZ-CE2 3.97Å; Y390-F485 WeakPolarHBondContact OH-CE2 3.39Å; Y390-F485 WeakPolarHBondContact OH-CZ 3.19Å; Y390-L487 HydrophobicContact CD1-CD2 4.18Å; Y390-L487 HydrophobicContact CD2-CD2 3.61Å; Y390-L487 HydrophobicContact CE2-CD2 4.11Å; Y390-L487 HydrophobicContact CG-CD2 3.64Å; Y390-R498 CarbonylContact C-O 3.52Å; Y390-R498 WeakPolarHBondContact CA-O 3.4Å; Y390-E499 HydrophobicContact CD1-CB 3.98Å; Y390-E499 HydrophobicContact CD1-CG 4.35Å; Y390-E499 HydrophobicContact CE1-CB 3.81Å; Y390-E499 HydrophobicContact CE1-CG 4Å |
| 391 | I | 98.5 | Very high | 95.8 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 139.3 | -179.6 | -159.1 | 167.6 | 0 | 0 | 0 | 110.6 | R435 R469 Y470 V471 L497 R498 L500 | I391-R435 HydrophobicContact CD1-CB 4.25Å; I391-R435 HydrophobicContact CD1-CG 4.28Å; I391-R435 WeakPolarHBondContact CD1-O 3.07Å; I391-R469 HydrophobicContact CD1-CG 3.8Å; I391-R469 HydrophobicContact CG1-CG 3.81Å; I391-Y470 CarbonylContact C-O 3.53Å; I391-Y470 VanDerWaalsContact CA-O 3.29Å; I391-Y470 WeakPolarHBondContact CA-O 3.38Å; I391-Y470 WeakPolarHBondContact CG1-O 3.19Å; I391-V471 HydrophobicContact CB-CG2 4.45Å; I391-V471 HydrophobicContact CD1-CG2 4.4Å; I391-V471 HydrophobicContact CG1-CG2 4.14Å; I391-L497 VanDerWaalsContact O-CA 3.3Å; I391-L497 WeakPolarHBondContact O-CA 3.39Å; I391-R498 HydrophobicContact CG2-CG 3.56Å; I391-R498 PolarHBondContact N-O 3.27Å; I391-R498 PolarHBondContact O-N 3.49Å; I391-L500 HydrophobicContact CB-CD1 4.06Å; I391-L500 HydrophobicContact CB-CD2 4.03Å; I391-L500 HydrophobicContact CB-CG 3.93Å; I391-L500 HydrophobicContact CD1-CD1 4.27Å; I391-L500 HydrophobicContact CD1-CD2 4.15Å; I391-L500 HydrophobicContact CG2-CD2 3.76Å; I391-L500 HydrophobicContact CG2-CG 4.08Å |
| 392 | F | 98.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 160.1 | 174.6 | 72.2 | -81.8 | 0 | 0 | 0 | 111.6 | V394 V401 I428 L465 Y470 L472 L489 L497 | F392-V394 HydrophobicContact CD2-CG2 4.45Å; F392-V394 HydrophobicContact CE2-CG2 3.99Å; F392-V401 HydrophobicContact CE2-CG1 4.22Å; F392-V401 HydrophobicContact CE2-CG2 4.49Å; F392-V401 HydrophobicContact CZ-CG1 4.44Å; F392-I428 HydrophobicContact CE1-CG2 4.25Å; F392-I428 HydrophobicContact CZ-CG2 4.2Å; F392-L465 HydrophobicContact CE2-CD1 4.2Å; F392-L465 HydrophobicContact CZ-CD1 3.97Å; F392-Y470 VanDerWaalsContact CE1-CB 3.43Å; F392-Y470 HydrophobicContact CE1-CG 4.39Å; F392-Y470 HydrophobicContact CE2-CD2 4.05Å; F392-Y470 HydrophobicContact CE2-CG 4.25Å; F392-Y470 VanDerWaalsContact CZ-CB 3.48Å; F392-Y470 HydrophobicContact CZ-CD2 4.22Å; F392-Y470 AromaticContact CZ-CG 3.95Å; F392-Y470 HydrophobicContact CZ-CG 3.95Å; F392-Y470 PolarHBondContact N-O 2.75Å; F392-Y470 PolarHBondContact O-N 2.89Å; F392-L472 HydrophobicContact CD1-CB 4.46Å; F392-L472 HydrophobicContact CE1-CB 4.13Å; F392-L472 HydrophobicContact CE1-CD1 4.48Å; F392-L489 HydrophobicContact CB-CD2 3.76Å; F392-L489 HydrophobicContact CD1-CD2 4.29Å; F392-L489 HydrophobicContact CD2-CD2 3.78Å; F392-L489 HydrophobicContact CE2-CD2 4.44Å; F392-L489 HydrophobicContact CG-CD2 3.68Å; F392-L497 HydrophobicContact CB-CB 4.38Å; F392-L497 HydrophobicContact CB-CD1 3.99Å |
| 393 | D | 96.6 | Very high | 96.1 | Very high | 22 Ų | 22 | 30.5 Ų | 30.5 | 12% | 0.118 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 134.4 | -177.4 | -63.3 | -28.5 | 0 | 0 | 0 | 110.4 | R469 S495 | D393-R469 IonicContact OD1-CZ 3.74Å; D393-R469 IonicContact OD1-NE 3.66Å; D393-R469 PolarHBondContact OD1-NE 3.48Å; D393-R469 IonicContact OD1-NH2 2.73Å; D393-R469 PolarHBondContact OD1-NH2 2.72Å; D393-R469 VanDerWaalsContact OD1-NH2 3.12Å; D393-R469 IonicContact OD2-NH2 3.82Å; D393-R469 PolarHBondContact OD2-NH2 3.28Å; D393-R469 VanDerWaalsContact OD2-NH2 3.13Å; D393-S495 PolarHBondContact N-O 3.22Å; D393-S495 WeakPolarHBondContact O-CA 3.28Å |
| 394 | V | 95.9 | Very high | 96.1 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.024 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 116.4 | 163.4 | 177.6 | 0 | 0 | 0 | 0 | 107.7 | F392 D399 V401 L465 K466 Q467 G468 Y470 | F392-V394 HydrophobicContact CD2-CG2 4.45Å; F392-V394 HydrophobicContact CE2-CG2 3.99Å; V394-D399 HydrophobicContact CG1-CB 3.56Å; V394-V401 HydrophobicContact CG2-CG2 4.06Å; V394-L465 HydrophobicContact CG2-CB 4.11Å; V394-L465 HydrophobicContact CG2-CD1 4.46Å; V394-K466 WeakPolarHBondContact CB-O 3.41Å; V394-K466 WeakPolarHBondContact CG1-O 3.19Å; V394-Q467 WeakPolarHBondContact O-CA 3.39Å; V394-Q467 WeakPolarHBondContact O-CG 3.44Å; V394-G468 PolarHBondContact N-O 3.36Å; V394-G468 PolarHBondContact O-N 2.94Å; V394-Y470 HydrophobicContact CB-CD2 4.43Å; V394-Y470 HydrophobicContact CB-CE2 3.89Å; V394-Y470 HydrophobicContact CG2-CD2 3.86Å; V394-Y470 HydrophobicContact CG2-CE2 3.61Å |
| 395 | K | 92.5 | Very high | 96.1 | Very high | 92 Ų | 92 | 28.4 Ų | 28.4 | 40% | 0.4 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -26.8 | -172.9 | -65.1 | 178.5 | -178.3 | 157 | 0 | 114.3 | Q467 V493 P494 | K395-Q467 PolarHBondContact O-NE2 2.98Å; K395-V493 HydrophobicContact CB-CG2 4.12Å; K395-P494 VanDerWaalsContact CE-O 3.3Å; K395-P494 WeakPolarHBondContact CE-O 3.45Å; K395-P494 PolarHBondContact NZ-O 3.25Å |
| 396 | K | 92.8 | Very high | 96 | Very high | 81 Ų | 81 | 27.2 Ų | 27.2 | 35% | 0.352 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 159.5 | 173.4 | -63.4 | -174.9 | -179.7 | -174.5 | 0 | 109.4 | E398 D399 Q467 D492 V493 | K396-E398 VanDerWaalsContact CB-O 3.29Å; K396-E398 WeakPolarHBondContact CB-O 3.17Å; K396-E398 PolarHBondContact O-N 3.37Å; K396-D399 HydrophobicContact CB-CB 4.33Å; K396-Q467 VanDerWaalsContact O-CA 3.31Å; K396-Q467 WeakPolarHBondContact O-CA 3.48Å; K396-Q467 WeakPolarHBondContact O-CB 3.41Å; K396-Q467 PolarHBondContact O-N 3.33Å; K396-D492 HydrophobicContact CD-CB 4.3Å; K396-D492 IonicContact NZ-OD2 3.25Å; K396-D492 PolarHBondContact NZ-OD2 2.66Å; K396-V493 HydrophobicContact CG-CG2 4.33Å |
| 397 | T | 91.4 | Very high | 96 | Very high | 115 Ų | 115 | 25.5 Ų | 25.5 | 71% | 0.706 | 13% | 0.125 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -52.5 | -43.4 | 172.6 | 46.3 | 0 | 0 | 0 | 0 | 111.3 | K466 Q467 | T397-K466 CarbonylContact O-C 3.58Å; T397-K466 WeakPolarHBondContact O-CA 3.49Å; T397-Q467 PolarHBondContact O-N 2.78Å |
| 398 | E | 93.3 | Very high | 95.7 | Very high | 108 Ų | 108 | 27.5 Ų | 27.5 | 51% | 0.505 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 141.4 | 165.9 | -63.2 | -171.3 | 156.1 | 0 | 0 | 109.5 | K396 V464 L465 K466 | K396-E398 VanDerWaalsContact CB-O 3.29Å; K396-E398 WeakPolarHBondContact CB-O 3.17Å; K396-E398 PolarHBondContact O-N 3.37Å; E398-V464 HydrophobicContact CB-CG1 3.99Å; E398-L465 CarbonylContact C-O 3.44Å; E398-L465 WeakPolarHBondContact CA-O 3.36Å; E398-K466 HydrophobicContact CG-CG 4.25Å |
| 399 | D | 93.8 | Very high | 95.4 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 147.4 | 174.4 | -158.5 | 1.7 | 0 | 0 | 0 | 111 | V394 K396 V464 L465 D492 | V394-D399 HydrophobicContact CG1-CB 3.56Å; K396-D399 HydrophobicContact CB-CB 4.33Å; D399-V464 WeakPolarHBondContact O-CA 3.49Å; D399-L465 PolarHBondContact N-O 3.07Å; D399-L465 PolarHBondContact O-N 2.82Å; D399-D492 VanDerWaalsContact OD1-CB 3.24Å; D399-D492 WeakPolarHBondContact OD1-CB 3.47Å; D399-D492 PolarHBondContact OD2-N 3.32Å |
| 400 | K | 92.8 | Very high | 95 | Very high | 88 Ų | 88 | 31.7 Ų | 31.7 | 38% | 0.383 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 120.1 | 172 | -174.6 | 175 | -65.9 | -172.5 | 0 | 107.7 | W354 L402 K462 | W354-K400 HydrophobicContact CH2-CB 4.17Å; W354-K400 HydrophobicContact CH2-CD 4.08Å; W354-K400 HydrophobicContact CH2-CG 4.05Å; W354-K400 VanDerWaalsContact CZ3-O 3.28Å; W354-K400 WeakPolarHBondContact CZ3-O 3Å; K400-L402 HydrophobicContact CD-CD2 4.36Å; K400-L402 HydrophobicContact CG-CD2 4.15Å; K400-K462 HydrophobicContact CD-CG 4.38Å; K400-K462 HydrophobicContact CG-CG 4.48Å |
| 401 | V | 94.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.8 | 179.7 | -176 | 0 | 0 | 0 | 0 | 109 | F392 V394 V403 R463 L465 L489 T491 | F392-V401 HydrophobicContact CE2-CG1 4.22Å; F392-V401 HydrophobicContact CE2-CG2 4.49Å; F392-V401 HydrophobicContact CZ-CG1 4.44Å; V394-V401 HydrophobicContact CG2-CG2 4.06Å; V401-V403 HydrophobicContact CG1-CG2 4.11Å; V401-R463 PolarHBondContact N-O 3.2Å; V401-R463 PolarHBondContact O-N 3.39Å; V401-L465 HydrophobicContact CB-CD1 4.25Å; V401-L465 HydrophobicContact CB-CG 4.49Å; V401-L465 HydrophobicContact CG2-CB 4.22Å; V401-L465 HydrophobicContact CG2-CD1 3.91Å; V401-L465 HydrophobicContact CG2-CG 4.11Å; V401-L489 HydrophobicContact CG1-CD1 3.41Å; V401-L489 VanDerWaalsContact CG1-CD1 3.41Å; V401-T491 HydrophobicContact CG1-CG2 4.3Å; V401-T491 HydrophobicContact CG2-CG2 4.15Å |
| 402 | L | 95.3 | Very high | 94.2 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 5% | 0.047 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.9 | 171.5 | -40.8 | 177.9 | 0 | 0 | 0 | 108.8 | W354 K400 F460 L461 K462 L489 F490 | W354-L402 HydrophobicContact CE3-CD1 4.45Å; W354-L402 HydrophobicContact CH2-CD1 3.8Å; W354-L402 HydrophobicContact CH2-CD2 4.22Å; W354-L402 HydrophobicContact CH2-CG 3.82Å; W354-L402 HydrophobicContact CZ2-CD1 3.98Å; W354-L402 HydrophobicContact CZ2-CG 4.49Å; W354-L402 HydrophobicContact CZ3-CD1 4.05Å; W354-L402 HydrophobicContact CZ3-CG 3.88Å; K400-L402 HydrophobicContact CD-CD2 4.36Å; K400-L402 HydrophobicContact CG-CD2 4.15Å; L402-F460 HydrophobicContact CB-CE2 3.86Å; L402-F460 HydrophobicContact CB-CZ 4.05Å; L402-F460 HydrophobicContact CD1-CZ 4.45Å; L402-F460 HydrophobicContact CD2-CZ 4.04Å; L402-F460 HydrophobicContact CG-CZ 4.41Å; L402-L461 WeakPolarHBondContact CA-O 3.48Å; L402-K462 HydrophobicContact CD2-CB 3.84Å; L402-K462 HydrophobicContact CD2-CD 4.09Å; L402-K462 HydrophobicContact CD2-CG 3.59Å; L402-L489 WeakPolarHBondContact O-CA 3.32Å; L402-F490 HydrophobicContact CB-CB 4.03Å; L402-F490 HydrophobicContact CB-CD2 4.18Å; L402-F490 HydrophobicContact CD1-CB 4.3Å; L402-F490 HydrophobicContact CG-CB 4.31Å; L402-F490 PolarHBondContact N-O 2.79Å; L402-F490 PolarHBondContact O-N 3.41Å |
| 403 | V | 97 | Very high | 93.8 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 131.1 | 177.6 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | V401 F426 I428 F460 L461 L472 L487 R488 L489 | V401-V403 HydrophobicContact CG1-CG2 4.11Å; V403-F426 HydrophobicContact CB-CE1 4.37Å; V403-F426 HydrophobicContact CB-CE2 3.78Å; V403-F426 HydrophobicContact CB-CZ 3.54Å; V403-F426 HydrophobicContact CG1-CD1 4.32Å; V403-F426 HydrophobicContact CG1-CD2 4.15Å; V403-F426 HydrophobicContact CG1-CE1 3.73Å; V403-F426 HydrophobicContact CG1-CE2 3.54Å; V403-F426 HydrophobicContact CG1-CZ 3.3Å; V403-F426 HydrophobicContact CG2-CE2 4.25Å; V403-F426 HydrophobicContact CG2-CZ 4.48Å; V403-I428 HydrophobicContact CG2-CD1 4.12Å; V403-F460 CarbonylContact O-C 3.53Å; V403-F460 WeakPolarHBondContact O-CA 3.5Å; V403-F460 WeakPolarHBondContact O-CD2 3.26Å; V403-L461 PolarHBondContact N-O 3.43Å; V403-L461 PolarHBondContact O-N 3.15Å; V403-L472 HydrophobicContact CB-CD1 4.46Å; V403-L472 HydrophobicContact CG1-CD1 3.67Å; V403-L472 HydrophobicContact CG2-CD1 3.89Å; V403-L487 HydrophobicContact CG1-CD1 3.76Å; V403-R488 WeakPolarHBondContact CA-O 3.41Å; V403-L489 HydrophobicContact CG2-CD1 3.75Å |
| 404 | S | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 119.7 | 169.5 | 171 | 0 | 0 | 0 | 0 | 109.1 | T458 V459 R488 | S404-T458 WeakPolarHBondContact OG-CG2 3.27Å; S404-V459 WeakPolarHBondContact CA-O 3.21Å; S404-R488 PolarHBondContact N-O 2.55Å; S404-R488 PolarHBondContact O-N 3.36Å; S404-R488 PolarHBondContact OG-NH2 3.38Å |
| 405 | L | 97.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125.7 | 170.7 | 177.4 | 65.2 | 0 | 0 | 0 | 107.8 | W363 I424 G425 F426 T458 V459 P474 F485 L487 | W363-L405 HydrophobicContact CH2-CD2 4.4Å; W363-L405 HydrophobicContact CZ2-CD2 4.29Å; L405-I424 HydrophobicContact CD2-CB 4.3Å; L405-I424 HydrophobicContact CD2-CD1 4.38Å; L405-I424 HydrophobicContact CG-CD1 4.23Å; L405-G425 WeakPolarHBondContact CD2-O 3.28Å; L405-F426 HydrophobicContact CB-CD1 3.78Å; L405-F426 HydrophobicContact CB-CE1 4.03Å; L405-F426 HydrophobicContact CD2-CB 4.47Å; L405-F426 HydrophobicContact CD2-CD1 4.02Å; L405-T458 CarbonylContact O-C 3.44Å; L405-T458 WeakPolarHBondContact O-CA 3.24Å; L405-V459 PolarHBondContact N-O 3.3Å; L405-V459 PolarHBondContact O-N 2.96Å; L405-P474 HydrophobicContact CD1-CB 3.63Å; L405-P474 HydrophobicContact CD2-CB 3.8Å; L405-P474 HydrophobicContact CG-CB 4.35Å; L405-F485 HydrophobicContact CD1-CB 3.85Å; L405-F485 HydrophobicContact CD1-CD2 3.54Å; L405-F485 HydrophobicContact CD1-CE2 4.33Å; L405-F485 HydrophobicContact CD1-CG 3.85Å; L405-L487 HydrophobicContact CD1-CD1 4.5Å |
| 406 | Q | 97.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 134.8 | -178.9 | 172.1 | 177.7 | -1.7 | 0 | 0 | 109.9 | F128 R457 T458 F485 I486 | F128-Q406 HydrophobicContact CD2-CG 4.4Å; F128-Q406 WeakPolarHBondContact CE2-O 3.19Å; Q406-R457 VanDerWaalsContact CA-O 3.31Å; Q406-R457 WeakPolarHBondContact CA-O 3.47Å; Q406-R457 HydrophobicContact CG-CG 4.49Å; Q406-T458 HydrophobicContact CB-CG2 4.33Å; Q406-F485 CarbonylContact O-C 3.58Å; Q406-F485 WeakPolarHBondContact O-CA 3.33Å; Q406-F485 VanDerWaalsContact O-CB 3.3Å; Q406-F485 WeakPolarHBondContact O-CB 3.39Å; Q406-I486 HydrophobicContact CB-CD1 4.25Å; Q406-I486 HydrophobicContact CB-CG1 3.72Å; Q406-I486 HydrophobicContact CG-CD1 4.41Å; Q406-I486 HydrophobicContact CG-CG1 4.23Å; Q406-I486 PolarHBondContact N-O 2.9Å; Q406-I486 PolarHBondContact O-N 3.24Å |
| 407 | Q | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 161.4 | 172.5 | 63.8 | -173 | -57.2 | 0 | 0 | 111.3 | I422 I424 T456 R457 | Q407-I422 PolarHBondContact NE2-O 3.37Å; Q407-I424 HydrophobicContact CB-CD1 4.14Å; Q407-I424 HydrophobicContact CG-CD1 4.16Å; Q407-T456 PolarHBondContact NE2-O 3.45Å; Q407-R457 HydrophobicContact CG-CG 4.32Å; Q407-R457 PolarHBondContact N-O 2.87Å |
| 408 | E | 93.3 | Very high | 92.6 | Very high | 41 Ų | 41 | 50 Ų | 50 | 19% | 0.192 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -58.1 | 148.9 | 175.4 | -76.8 | -179.5 | 126.2 | 0 | 0 | 111.1 | F128 R410 K484 | F128-E408 HydrophobicContact CD1-CG 3.89Å; F128-E408 HydrophobicContact CD2-CG 4.13Å; F128-E408 HydrophobicContact CE1-CG 3.54Å; F128-E408 HydrophobicContact CE2-CB 4.36Å; F128-E408 HydrophobicContact CE2-CG 3.82Å; F128-E408 VanDerWaalsContact CE2-N 3.28Å; F128-E408 HydrophobicContact CG-CG 4.15Å; F128-E408 HydrophobicContact CZ-CB 4.43Å; F128-E408 HydrophobicContact CZ-CG 3.46Å; F128-E408 VanDerWaalsContact CZ-CG 3.46Å; E408-R410 WeakPolarHBondContact O-CG 3.34Å; E408-R410 PolarHBondContact O-N 2.88Å; E408-K484 HydrophobicContact CG-CB 3.98Å; E408-K484 IonicContact OE1-NZ 3.31Å |
| 409 | D | 91.8 | Very high | 92.3 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 22% | 0.219 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 128 | 172.1 | -158.9 | -39.4 | 0 | 0 | 0 | 110.6 | R411 R457 | D409-R411 WeakPolarHBondContact OD1-CB 3.37Å; D409-R411 WeakPolarHBondContact OD1-CG 3.49Å; D409-R411 PolarHBondContact OD1-N 3.21Å; D409-R411 IonicContact OD1-NE 3.13Å; D409-R411 PolarHBondContact OD1-NE 2.79Å; D409-R411 VanDerWaalsContact OD1-NE 3.17Å; D409-R411 IonicContact OD2-CZ 3.37Å; D409-R411 VanDerWaalsContact OD2-CZ 3.25Å; D409-R411 IonicContact OD2-NE 3.12Å; D409-R411 PolarHBondContact OD2-NE 3.3Å; D409-R411 IonicContact OD2-NH2 2.87Å; D409-R411 PolarHBondContact OD2-NH2 2.76Å; D409-R457 IonicContact OD2-CZ 2.72Å; D409-R457 IonicContact OD2-NH1 2.68Å; D409-R457 PolarHBondContact OD2-NH1 3.11Å |
| 410 | R | 91.4 | Very high | 92.1 | Very high | 50 Ų | 50 | 53 Ų | 53 | 19% | 0.189 | 25% | 0.25 | C | S | . | . | trans | -106.4 | -4.2 | -175.7 | -58.5 | 178.4 | 65.2 | 93.1 | 4.7 | 112.6 | E408 R412 Y413 R418 G419 E420 | E408-R410 WeakPolarHBondContact O-CG 3.34Å; E408-R410 PolarHBondContact O-N 2.88Å; R410-R412 PolarHBondContact O-N 3.06Å; R410-R412 VanDerWaalsContact O-N 3.12Å; R410-Y413 HydrophobicContact CB-CD2 4.43Å; R410-Y413 WeakPolarHBondContact O-CA 3.42Å; R410-Y413 WeakPolarHBondContact O-CB 3.35Å; R410-Y413 PolarHBondContact O-N 3.37Å; R410-R418 PolarHBondContact NE-O 3.2Å; R410-R418 PolarHBondContact NH2-O 2.78Å; R410-R418 VanDerWaalsContact NH2-O 3.16Å; R410-G419 VanDerWaalsContact O-CA 3.29Å; R410-G419 WeakPolarHBondContact O-CA 3.34Å; R410-E420 WeakPolarHBondContact CD-O 3.31Å; R410-E420 PolarHBondContact NE-O 3.46Å | ||
| 411 | R | 91.1 | Very high | 92.1 | Very high | 26 Ų | 26 | 50.5 Ų | 50.5 | 10% | 0.098 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -54.8 | -36.1 | -175.9 | -74 | 178.6 | -70.3 | 158.7 | -10 | 113.7 | W82 Y167 A171 D188 D409 Y413 K414 | W82-R411 VanDerWaalsContact CH2-NH1 3.34Å; Y167-R411 VanDerWaalsContact CZ-NH2 3.35Å; Y167-R411 PolarHBondContact OH-NH1 2.81Å; Y167-R411 PolarHBondContact OH-NH2 2.87Å; A171-R411 HydrophobicContact CB-CB 4.25Å; A171-R411 CarbonylContact O-C 3.52Å; D188-R411 IonicContact OD2-NH2 3Å; D188-R411 PolarHBondContact OD2-NH2 3.49Å; D409-R411 WeakPolarHBondContact OD1-CB 3.37Å; D409-R411 WeakPolarHBondContact OD1-CG 3.49Å; D409-R411 PolarHBondContact OD1-N 3.21Å; D409-R411 IonicContact OD1-NE 3.13Å; D409-R411 PolarHBondContact OD1-NE 2.79Å; D409-R411 VanDerWaalsContact OD1-NE 3.17Å; D409-R411 IonicContact OD2-CZ 3.37Å; D409-R411 VanDerWaalsContact OD2-CZ 3.25Å; D409-R411 IonicContact OD2-NE 3.12Å; D409-R411 PolarHBondContact OD2-NE 3.3Å; D409-R411 IonicContact OD2-NH2 2.87Å; D409-R411 PolarHBondContact OD2-NH2 2.76Å; R411-Y413 PolarHBondContact O-N 2.93Å; R411-K414 VanDerWaalsContact O-CB 3.29Å; R411-K414 WeakPolarHBondContact O-CB 3.46Å; R411-K414 WeakPolarHBondContact O-CG 3.35Å; R411-K414 PolarHBondContact O-N 3.43Å |
| 412 | R | 88.3 | Confident | 92.1 | Very high | 117 Ų | 117 | 51.7 Ų | 51.7 | 44% | 0.442 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -54.8 | -22.6 | 172.4 | 62 | 178.1 | 154.9 | 176.7 | -3.2 | 115.3 | A171 R410 | A171-R412 WeakPolarHBondContact O-CA 3.45Å; A171-R412 PolarHBondContact O-N 3.1Å; R410-R412 PolarHBondContact O-N 3.06Å; R410-R412 VanDerWaalsContact O-N 3.12Å |
| 413 | Y | 90.4 | Very high | 92.2 | Very high | 78 Ų | 78 | 53.4 Ų | 53.4 | 31% | 0.306 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -102.1 | 9 | 179.5 | -49.8 | -60.5 | 0 | 0 | 0 | 112.7 | R410 R411 K415 E416 G417 R418 G419 | R410-Y413 HydrophobicContact CB-CD2 4.43Å; R410-Y413 WeakPolarHBondContact O-CA 3.42Å; R410-Y413 WeakPolarHBondContact O-CB 3.35Å; R410-Y413 PolarHBondContact O-N 3.37Å; R411-Y413 PolarHBondContact O-N 2.93Å; Y413-K415 PolarHBondContact O-N 2.94Å; Y413-E416 WeakPolarHBondContact CB-OE2 3.33Å; Y413-E416 WeakPolarHBondContact CD1-OE2 3.33Å; Y413-E416 PolarHBondContact O-N 2.88Å; Y413-E416 VanDerWaalsContact O-N 3.08Å; Y413-G417 PolarHBondContact O-N 2.79Å; Y413-R418 PolarHBondContact O-N 3.5Å; Y413-G419 PolarHBondContact O-N 2.97Å |
| 414 | K | 89.8 | Confident | 92.2 | Very high | 48 Ų | 48 | 53.3 Ų | 53.3 | 21% | 0.209 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -57.5 | -39 | 174.9 | -84.1 | -176 | 170.9 | 179.1 | 0 | 111.3 | Y41 A176 D178 G179 R411 E416 G417 | Y41-K414 HydrophobicContact CE2-CB 4.44Å; Y41-K414 WeakPolarHBondContact OH-CB 3.39Å; A176-K414 HydrophobicContact CB-CD 4.42Å; A176-K414 PolarHBondContact O-NZ 3.22Å; D178-K414 PolarHBondContact O-NZ 2.85Å; G179-K414 PolarHBondContact O-NZ 2.83Å; G179-K414 VanDerWaalsContact O-NZ 3.16Å; R411-K414 VanDerWaalsContact O-CB 3.29Å; R411-K414 WeakPolarHBondContact O-CB 3.46Å; R411-K414 WeakPolarHBondContact O-CG 3.35Å; R411-K414 PolarHBondContact O-N 3.43Å; K414-E416 PolarHBondContact O-N 3.46Å; K414-E416 VanDerWaalsContact O-N 3.16Å; K414-G417 PolarHBondContact O-N 3.11Å |
| 415 | K | 88.4 | Confident | 92.3 | Very high | 129 Ų | 129 | 53.3 Ų | 53.3 | 56% | 0.561 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -55.7 | -30.8 | 174.7 | -179.9 | 171.2 | -177.4 | 177.4 | 0 | 113.5 | Y41 Y413 | Y41-K415 HydrophobicContact CD1-CB 4.23Å; Y41-K415 HydrophobicContact CD2-CB 4Å; Y41-K415 HydrophobicContact CD2-CG 4.28Å; Y41-K415 HydrophobicContact CG-CB 3.86Å; Y41-K415 HydrophobicContact CG-CD 4.47Å; Y41-K415 HydrophobicContact CG-CG 4.01Å; Y413-K415 PolarHBondContact O-N 2.94Å |
| 416 | E | 90.9 | Very high | 92.3 | Very high | 100 Ų | 100 | 53.3 Ų | 53.3 | 47% | 0.467 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -98 | 11.3 | 178.1 | -50.7 | 115.2 | -150.5 | 0 | 0 | 113.2 | Y413 K414 R418 | Y413-E416 WeakPolarHBondContact CB-OE2 3.33Å; Y413-E416 WeakPolarHBondContact CD1-OE2 3.33Å; Y413-E416 PolarHBondContact O-N 2.88Å; Y413-E416 VanDerWaalsContact O-N 3.08Å; K414-E416 PolarHBondContact O-N 3.46Å; K414-E416 VanDerWaalsContact O-N 3.16Å; E416-R418 VanDerWaalsContact C-N 3.26Å; E416-R418 PolarHBondContact O-N 3.47Å; E416-R418 IonicContact OE2-CZ 3.47Å; E416-R418 IonicContact OE2-NE 2.94Å; E416-R418 IonicContact OE2-NH2 3.86Å; E416-R418 PolarHBondContact OE2-NH2 2.71Å |
| 417 | G | 87.6 | Confident | 92.3 | Very high | 69 Ų | 69 | 53.3 Ų | 53.3 | 71% | 0.711 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 17.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y413 K414 | Y413-G417 PolarHBondContact O-N 2.79Å; K414-G417 PolarHBondContact O-N 3.11Å |
| 418 | R | 87.6 | Confident | 92.5 | Very high | 135 Ų | 135 | 53.4 Ų | 53.4 | 51% | 0.509 | 26% | 0.261 | S | S | . | . | trans | -114.4 | 16 | -178 | -62.8 | -176.9 | -60 | 165.2 | 3 | 113.4 | R410 Y413 E416 | R410-R418 PolarHBondContact NE-O 3.2Å; R410-R418 PolarHBondContact NH2-O 2.78Å; R410-R418 VanDerWaalsContact NH2-O 3.16Å; Y413-R418 PolarHBondContact O-N 3.5Å; E416-R418 VanDerWaalsContact C-N 3.26Å; E416-R418 PolarHBondContact O-N 3.47Å; E416-R418 IonicContact OE2-CZ 3.47Å; E416-R418 IonicContact OE2-NE 2.94Å; E416-R418 IonicContact OE2-NH2 3.86Å; E416-R418 PolarHBondContact OE2-NH2 2.71Å | ||
| 419 | G | 86.6 | Confident | 92.7 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 12% | 0.124 | 25% | 0.253 | C | S | . | . | trans | -80.8 | -10.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116 | R410 Y413 | R410-G419 VanDerWaalsContact O-CA 3.29Å; R410-G419 WeakPolarHBondContact O-CA 3.34Å; Y413-G419 PolarHBondContact O-N 2.97Å | ||
| 420 | E | 89.4 | Confident | 92.9 | Very high | 164 Ų | 164 | 50.3 Ų | 50.3 | 77% | 0.766 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -71.5 | 146.8 | 177.3 | -64.3 | -172.1 | 168.3 | 0 | 0 | 112.1 | R410 | R410-E420 WeakPolarHBondContact CD-O 3.31Å; R410-E420 PolarHBondContact NE-O 3.46Å |
| 421 | S | 93.1 | Very high | 93.2 | Very high | 36 Ų | 36 | 48 Ų | 48 | 25% | 0.252 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -72.5 | 140.7 | 173.3 | -73.6 | 0 | 0 | 0 | 0 | 110.6 | N455 R457 | S421-N455 WeakPolarHBondContact CB-O 3.27Å; S421-R457 PolarHBondContact OG-N 2.79Å |
| 422 | I | 94.8 | Very high | 93.5 | Very high | 26 Ų | 26 | 46.8 Ų | 46.8 | 13% | 0.133 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -81.7 | 142.6 | 177.4 | -61.7 | 153.9 | 0 | 0 | 0 | 108.8 | Q407 I424 T476 I481 T483 | Q407-I422 PolarHBondContact NE2-O 3.37Å; I422-I424 PolarHBondContact O-N 3.38Å; I422-I424 VanDerWaalsContact O-N 3.1Å; I422-T476 HydrophobicContact CG2-CG2 4.14Å; I422-I481 HydrophobicContact CD1-CG2 3.73Å; I422-I481 HydrophobicContact CG2-CG2 4.21Å; I422-T483 HydrophobicContact CD1-CG2 3.97Å |
| 423 | P | 96.6 | Very high | 93.8 | Very high | 46 Ų | 46 | 43.4 Ų | 43.4 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | trans | -60.5 | 114.7 | 169.8 | -22 | 32.7 | 0 | 0 | 0 | 111.1 | I454 N455 Y477 | P423-I454 WeakPolarHBondContact CA-O 3.09Å; P423-N455 HydrophobicContact CG-CB 4.22Å; P423-Y477 PolarHBondContact O-N 2.98Å | ||
| 424 | I | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 158 | 180 | 58.3 | 172.5 | 0 | 0 | 0 | 110.4 | W363 L405 Q407 I422 Y453 I454 V459 T475 T476 | W363-I424 HydrophobicContact CH2-CB 4.25Å; W363-I424 HydrophobicContact CH2-CG2 3.62Å; W363-I424 HydrophobicContact CZ2-CG2 4.46Å; W363-I424 HydrophobicContact CZ3-CG2 4.06Å; L405-I424 HydrophobicContact CD2-CB 4.3Å; L405-I424 HydrophobicContact CD2-CD1 4.38Å; L405-I424 HydrophobicContact CG-CD1 4.23Å; Q407-I424 HydrophobicContact CB-CD1 4.14Å; Q407-I424 HydrophobicContact CG-CD1 4.16Å; I422-I424 PolarHBondContact O-N 3.38Å; I422-I424 VanDerWaalsContact O-N 3.1Å; I424-Y453 WeakPolarHBondContact O-CA 3.25Å; I424-I454 PolarHBondContact N-O 2.9Å; I424-V459 HydrophobicContact CD1-CG2 4.3Å; I424-V459 HydrophobicContact CG1-CG2 3.79Å; I424-T475 WeakPolarHBondContact CA-O 3.06Å; I424-T476 HydrophobicContact CG2-CG2 4.22Å |
| 425 | G | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.4 | -180 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L405 S451 T475 | L405-G425 WeakPolarHBondContact CD2-O 3.28Å; G425-S451 WeakPolarHBondContact CA-OG 3.44Å; G425-T475 PolarHBondContact N-O 3.43Å; G425-T475 PolarHBondContact O-N 2.97Å; G425-T475 PolarHBondContact O-OG1 3.49Å |
| 426 | F | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 157.2 | 177.6 | 58 | -93.6 | 0 | 0 | 0 | 112.6 | V403 L405 I428 S451 V459 L461 L472 I473 P474 | V403-F426 HydrophobicContact CB-CE1 4.37Å; V403-F426 HydrophobicContact CB-CE2 3.78Å; V403-F426 HydrophobicContact CB-CZ 3.54Å; V403-F426 HydrophobicContact CG1-CD1 4.32Å; V403-F426 HydrophobicContact CG1-CD2 4.15Å; V403-F426 HydrophobicContact CG1-CE1 3.73Å; V403-F426 HydrophobicContact CG1-CE2 3.54Å; V403-F426 HydrophobicContact CG1-CZ 3.3Å; V403-F426 HydrophobicContact CG2-CE2 4.25Å; V403-F426 HydrophobicContact CG2-CZ 4.48Å; L405-F426 HydrophobicContact CB-CD1 3.78Å; L405-F426 HydrophobicContact CB-CE1 4.03Å; L405-F426 HydrophobicContact CD2-CB 4.47Å; L405-F426 HydrophobicContact CD2-CD1 4.02Å; F426-I428 HydrophobicContact CD2-CG1 4.2Å; F426-I428 HydrophobicContact CE2-CD1 4.25Å; F426-I428 HydrophobicContact CE2-CG1 4.4Å; F426-S451 PolarHBondContact N-OG 3.14Å; F426-S451 PolarHBondContact O-N 3.38Å; F426-V459 HydrophobicContact CE1-CG1 4.02Å; F426-L461 HydrophobicContact CE2-CB 3.86Å; F426-L461 HydrophobicContact CE2-CD2 3.75Å; F426-L461 HydrophobicContact CE2-CG 4.49Å; F426-L461 HydrophobicContact CZ-CB 3.46Å; F426-L461 VanDerWaalsContact CZ-CB 3.46Å; F426-L461 HydrophobicContact CZ-CD2 4.23Å; F426-L472 HydrophobicContact CB-CD2 4.1Å; F426-L472 HydrophobicContact CD2-CD2 4.44Å; F426-L472 HydrophobicContact CD2-CG 4.35Å; F426-L472 HydrophobicContact CG-CD2 4.37Å; F426-I473 VanDerWaalsContact CA-O 3.22Å; F426-I473 WeakPolarHBondContact CA-O 3.44Å; F426-I473 WeakPolarHBondContact CB-O 3.22Å; F426-P474 HydrophobicContact CB-CB 4.44Å |
| 427 | E | 98.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 146.4 | 176.6 | -57 | -60.6 | 150.3 | 0 | 0 | 110.1 | F378 F384 F429 R447 T450 Y453 L472 I473 | F378-E427 HydrophobicContact CB-CG 4.21Å; F378-E427 HydrophobicContact CD2-CG 4.39Å; F384-E427 HydrophobicContact CE2-CB 4.44Å; F384-E427 HydrophobicContact CE2-CG 3.85Å; F384-E427 HydrophobicContact CZ-CB 3.88Å; F384-E427 HydrophobicContact CZ-CG 3.7Å; E427-F429 HydrophobicContact CB-CD2 4.31Å; E427-F429 HydrophobicContact CB-CE2 3.46Å; E427-F429 VanDerWaalsContact CB-CE2 3.46Å; E427-F429 HydrophobicContact CB-CZ 3.95Å; E427-F429 HydrophobicContact CG-CE2 4.39Å; E427-R447 WeakPolarHBondContact OE2-CD 3.4Å; E427-R447 IonicContact OE2-NH1 3.77Å; E427-T450 PolarHBondContact OE1-OG1 3.44Å; E427-T450 WeakPolarHBondContact OE2-CA 3.3Å; E427-T450 WeakPolarHBondContact OE2-CB 3.22Å; E427-T450 PolarHBondContact OE2-OG1 2.86Å; E427-T450 VanDerWaalsContact OE2-OG1 3.11Å; E427-Y453 PolarHBondContact OE1-OH 3.04Å; E427-L472 WeakPolarHBondContact O-CA 3.33Å; E427-I473 PolarHBondContact N-O 3.21Å; E427-I473 VanDerWaalsContact N-O 3.11Å; E427-I473 PolarHBondContact O-N 3.24Å |
| 428 | I | 98.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 124.3 | 174.4 | -51.8 | -179.2 | 0 | 0 | 0 | 109.1 | F392 V403 F426 V448 A449 L461 L465 Y470 V471 L472 | F392-I428 HydrophobicContact CE1-CG2 4.25Å; F392-I428 HydrophobicContact CZ-CG2 4.2Å; V403-I428 HydrophobicContact CG2-CD1 4.12Å; F426-I428 HydrophobicContact CD2-CG1 4.2Å; F426-I428 HydrophobicContact CE2-CD1 4.25Å; F426-I428 HydrophobicContact CE2-CG1 4.4Å; I428-V448 HydrophobicContact CB-CG2 4.04Å; I428-V448 HydrophobicContact CG2-CG2 3.7Å; I428-V448 VanDerWaalsContact O-CG2 3.28Å; I428-V448 WeakPolarHBondContact O-CG2 3.3Å; I428-V448 PolarHBondContact O-N 3.21Å; I428-A449 HydrophobicContact CB-CB 4.14Å; I428-A449 HydrophobicContact CD1-CB 4.21Å; I428-A449 HydrophobicContact CG1-CB 4.35Å; I428-A449 PolarHBondContact N-O 2.72Å; I428-A449 PolarHBondContact O-N 3.01Å; I428-L461 HydrophobicContact CD1-CD2 4.38Å; I428-L465 HydrophobicContact CG2-CD1 4.44Å; I428-Y470 HydrophobicContact CG2-CD1 4Å; I428-Y470 HydrophobicContact CG2-CG 4.37Å; I428-V471 WeakPolarHBondContact CA-O 3.44Å; I428-L472 HydrophobicContact CG1-CG 4.26Å |
| 429 | F | 97.9 | Very high | 95.9 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 136.6 | 176.5 | -61.2 | -90.6 | 0 | 0 | 0 | 110.8 | F378 F384 E427 V431 L442 Q445 E446 R447 Y470 V471 I473 | F378-F429 AromaticContact CD2-CZ 3.91Å; F378-F429 HydrophobicContact CD2-CZ 3.91Å; F378-F429 AromaticContact CE2-CE1 3.99Å; F378-F429 HydrophobicContact CE2-CE1 3.99Å; F378-F429 AromaticContact CE2-CZ 3.6Å; F378-F429 HydrophobicContact CE2-CZ 3.6Å; F384-F429 AromaticContact CE1-CE2 3.76Å; F384-F429 HydrophobicContact CE1-CE2 3.76Å; F384-F429 AromaticContact CE1-CZ 3.89Å; F384-F429 HydrophobicContact CE1-CZ 3.89Å; F384-F429 AromaticContact CZ-CE2 3.77Å; F384-F429 HydrophobicContact CZ-CE2 3.77Å; F384-F429 HydrophobicContact CZ-CZ 4.1Å; E427-F429 HydrophobicContact CB-CD2 4.31Å; E427-F429 HydrophobicContact CB-CE2 3.46Å; E427-F429 VanDerWaalsContact CB-CE2 3.46Å; E427-F429 HydrophobicContact CB-CZ 3.95Å; E427-F429 HydrophobicContact CG-CE2 4.39Å; F429-V431 HydrophobicContact CB-CG1 4.2Å; F429-L442 HydrophobicContact CD1-CD2 3.75Å; F429-L442 HydrophobicContact CE1-CD1 3.81Å; F429-L442 HydrophobicContact CE1-CD2 3.78Å; F429-L442 HydrophobicContact CE1-CG 4.45Å; F429-L442 HydrophobicContact CG-CD2 4.19Å; F429-L442 HydrophobicContact CZ-CD1 3.97Å; F429-L442 HydrophobicContact CZ-CD2 4.26Å; F429-Q445 HydrophobicContact CB-CB 4.44Å; F429-E446 CarbonylContact C-O 3.48Å; F429-E446 WeakPolarHBondContact CA-O 3.34Å; F429-R447 HydrophobicContact CD1-CB 3.9Å; F429-R447 HydrophobicContact CD1-CG 4.33Å; F429-R447 HydrophobicContact CE1-CB 3.62Å; F429-R447 HydrophobicContact CE1-CG 3.85Å; F429-R447 HydrophobicContact CZ-CB 4.45Å; F429-R447 HydrophobicContact CZ-CG 4.19Å; F429-Y470 CarbonylContact O-C 3.59Å; F429-Y470 WeakPolarHBondContact O-CA 2.97Å; F429-V471 PolarHBondContact N-O 3.47Å; F429-V471 PolarHBondContact O-N 3.11Å; F429-I473 HydrophobicContact CD2-CD1 4.19Å; F429-I473 HydrophobicContact CE2-CD1 4.08Å |
| 430 | K | 96.9 | Very high | 96.3 | Very high | 14 Ų | 14 | 25.5 Ų | 25.5 | 6% | 0.061 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 129.7 | 162.4 | -174.6 | 167.5 | 179 | 165.5 | 0 | 108.6 | Q445 E446 V448 Q467 Y470 D567 | K430-Q445 WeakPolarHBondContact O-CA 3.46Å; K430-E446 HydrophobicContact CB-CB 4.5Å; K430-E446 PolarHBondContact N-O 3.48Å; K430-E446 PolarHBondContact O-N 3.29Å; K430-V448 HydrophobicContact CB-CG1 3.88Å; K430-Q467 PolarHBondContact NZ-O 2.94Å; K430-Y470 HydrophobicContact CB-CD1 4.07Å; K430-Y470 HydrophobicContact CB-CE1 3.78Å; K430-Y470 HydrophobicContact CD-CE1 4.39Å; K430-Y470 HydrophobicContact CG-CE1 4.09Å; K430-D567 WeakPolarHBondContact CD-OD2 3.3Å; K430-D567 WeakPolarHBondContact CE-OD2 3.4Å; K430-D567 IonicContact NZ-OD2 3.55Å; K430-D567 PolarHBondContact NZ-OD2 3.47Å |
| 431 | V | 96.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | -178.4 | -175.1 | -54.8 | 0 | 0 | 0 | 0 | 111 | F429 R435 L439 Q445 R469 V471 | F429-V431 HydrophobicContact CB-CG1 4.2Å; V431-R435 HydrophobicContact CG2-CB 4.3Å; V431-L439 HydrophobicContact CG1-CD2 4.48Å; V431-Q445 HydrophobicContact CB-CG 4.38Å; V431-Q445 HydrophobicContact CG1-CG 3.88Å; V431-R469 HydrophobicContact CG2-CB 4.29Å; V431-R469 HydrophobicContact CG2-CG 3.71Å; V431-R469 PolarHBondContact N-O 2.95Å; V431-V471 HydrophobicContact CB-CG2 4.35Å; V431-V471 HydrophobicContact CG1-CB 3.94Å; V431-V471 HydrophobicContact CG1-CG2 3.67Å; V431-V471 HydrophobicContact CG2-CG2 3.84Å |
| 432 | E | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -63.7 | 135.9 | -179.2 | -52.9 | 91.2 | 144.6 | 0 | 0 | 112.4 | N434 R435 Q445 R469 Q522 Q569 I571 | E432-N434 PolarHBondContact O-N 3.18Å; E432-R435 HydrophobicContact CB-CB 4.2Å; E432-R435 WeakPolarHBondContact O-CB 3.27Å; E432-R435 PolarHBondContact O-N 2.86Å; E432-R435 IonicContact OE1-CZ 2.74Å; E432-R435 IonicContact OE1-NE 3.27Å; E432-R435 IonicContact OE1-NH2 3.65Å; E432-R435 PolarHBondContact OE1-NH2 3.25Å; E432-R435 IonicContact OE2-CZ 2.81Å; E432-R435 IonicContact OE2-NE 3.43Å; E432-R435 PolarHBondContact OE2-NE 2.82Å; E432-R435 IonicContact OE2-NH2 2.82Å; E432-R435 PolarHBondContact OE2-NH2 3.43Å; E432-Q445 PolarHBondContact OE1-NE2 2.9Å; E432-Q445 PolarHBondContact OE2-NE2 3Å; E432-R469 VanDerWaalsContact O-CD 3.28Å; E432-R469 WeakPolarHBondContact O-CD 3.43Å; E432-Q522 VanDerWaalsContact OE1-CD 3.31Å; E432-Q522 VanDerWaalsContact OE1-CG 3.31Å; E432-Q522 WeakPolarHBondContact OE1-CG 3.26Å; E432-Q522 PolarHBondContact OE1-NE2 2.94Å; E432-Q569 CarbonylContact C-O 3.54Å; E432-Q569 VanDerWaalsContact CA-O 3.27Å; E432-Q569 WeakPolarHBondContact CA-O 3.24Å; E432-Q569 HydrophobicContact CB-CB 4.29Å; E432-Q569 HydrophobicContact CG-CB 3.94Å; E432-I571 HydrophobicContact CB-CB 4.15Å; E432-I571 HydrophobicContact CB-CG2 3.84Å; E432-I571 HydrophobicContact CG-CB 3.9Å; E432-I571 HydrophobicContact CG-CG2 4.12Å | ||
| 433 | D | 95.3 | Very high | 96 | Very high | 47 Ų | 47 | 22.9 Ų | 22.9 | 25% | 0.251 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -23.2 | -172.5 | -66.6 | -42.2 | 0 | 0 | 0 | 112.9 | R469 V553 Q569 | D433-R469 PolarHBondContact O-NH1 3.14Å; D433-V553 HydrophobicContact CB-CG1 3.88Å; D433-Q569 PolarHBondContact N-O 2.82Å |
| 434 | N | 96.3 | Very high | 95.5 | Very high | 33 Ų | 33 | 21.1 Ų | 21.1 | 18% | 0.176 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 6.8 | 176.7 | 69.8 | -25.9 | 0 | 0 | 0 | 114.1 | E432 S436 V553 I571 | E432-N434 PolarHBondContact O-N 3.18Å; N434-S436 PolarHBondContact O-N 3.34Å; N434-S436 PolarHBondContact O-OG 2.9Å; N434-V553 HydrophobicContact CB-CG2 3.77Å; N434-I571 PolarHBondContact ND2-O 3Å; N434-I571 PolarHBondContact OD1-N 2.93Å; N434-I571 PolarHBondContact OD1-O 3.23Å |
| 435 | R | 96.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | trans | -57.4 | 132.9 | 179.8 | -179.8 | 166.7 | -75.5 | -95.6 | 9.3 | 110.8 | I391 V431 E432 Y437 R438 R469 I571 L644 | I391-R435 HydrophobicContact CD1-CB 4.25Å; I391-R435 HydrophobicContact CD1-CG 4.28Å; I391-R435 WeakPolarHBondContact CD1-O 3.07Å; V431-R435 HydrophobicContact CG2-CB 4.3Å; E432-R435 HydrophobicContact CB-CB 4.2Å; E432-R435 WeakPolarHBondContact O-CB 3.27Å; E432-R435 PolarHBondContact O-N 2.86Å; E432-R435 IonicContact OE1-CZ 2.74Å; E432-R435 IonicContact OE1-NE 3.27Å; E432-R435 IonicContact OE1-NH2 3.65Å; E432-R435 PolarHBondContact OE1-NH2 3.25Å; E432-R435 IonicContact OE2-CZ 2.81Å; E432-R435 IonicContact OE2-NE 3.43Å; E432-R435 PolarHBondContact OE2-NE 2.82Å; E432-R435 IonicContact OE2-NH2 2.82Å; E432-R435 PolarHBondContact OE2-NH2 3.43Å; R435-Y437 WeakPolarHBondContact CD-O 3.3Å; R435-Y437 WeakPolarHBondContact CG-O 3.48Å; R435-Y437 PolarHBondContact NH1-O 3.06Å; R435-R438 PolarHBondContact NH1-O 2.92Å; R435-R469 PolarHBondContact O-NH1 3.47Å; R435-I571 HydrophobicContact CB-CG2 4.12Å; R435-L644 PolarHBondContact NH2-OXT 2.81Å | ||
| 436 | S | 95.9 | Very high | 95 | Very high | 56 Ų | 56 | 26.5 Ų | 26.5 | 39% | 0.392 | 13% | 0.133 | S | C | . | . | trans | -131.7 | -13.5 | -179 | -64.3 | 0 | 0 | 0 | 0 | 114.1 | N434 L500 | N434-S436 PolarHBondContact O-N 3.34Å; N434-S436 PolarHBondContact O-OG 2.9Å; S436-L500 WeakPolarHBondContact O-CD2 3.45Å | ||
| 437 | Y | 97.2 | Very high | 94.9 | Very high | 64 Ų | 64 | 32.3 Ų | 32.3 | 25% | 0.251 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -118.2 | 164.7 | -176.6 | -53.4 | -74.6 | 0 | 0 | 0 | 110.7 | R435 A502 K504 P505 Y573 | R435-Y437 WeakPolarHBondContact CD-O 3.3Å; R435-Y437 WeakPolarHBondContact CG-O 3.48Å; R435-Y437 PolarHBondContact NH1-O 3.06Å; Y437-A502 WeakPolarHBondContact CA-O 3.47Å; Y437-A502 WeakPolarHBondContact CB-O 3.46Å; Y437-A502 HydrophobicContact CD1-CB 3.93Å; Y437-A502 HydrophobicContact CE1-CB 4.38Å; Y437-K504 VanDerWaalsContact CD1-C 3.47Å; Y437-K504 VanDerWaalsContact CE1-C 3.45Å; Y437-K504 WeakPolarHBondContact CE1-O 3.46Å; Y437-P505 HydrophobicContact CE1-CG 4.33Å; Y437-P505 HydrophobicContact CE2-CG 3.68Å; Y437-P505 WeakPolarHBondContact OH-CA 3.19Å; Y437-P505 WeakPolarHBondContact OH-CG 3.39Å; Y437-Y573 HydrophobicContact CD2-CD2 4.03Å; Y437-Y573 HydrophobicContact CD2-CE1 4.43Å; Y437-Y573 AromaticContact CD2-CE2 3.37Å; Y437-Y573 HydrophobicContact CD2-CE2 3.37Å; Y437-Y573 AromaticContact CD2-CZ 3.59Å; Y437-Y573 AromaticContact CE2-CD2 3.98Å; Y437-Y573 HydrophobicContact CE2-CD2 3.98Å; Y437-Y573 AromaticContact CE2-CE2 3.82Å; Y437-Y573 HydrophobicContact CE2-CE2 3.82Å; Y437-Y573 HydrophobicContact CG-CE2 4.4Å |
| 438 | R | 97.5 | Very high | 94.9 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | trans | -54.4 | 145.9 | 178.6 | -68.6 | 176.8 | 60.4 | 79.5 | 3.7 | 111.5 | L385 Q386 N387 R435 H440 L500 A502 D503 | L385-R438 PolarHBondContact O-NH2 2.84Å; Q386-R438 PolarHBondContact O-NH2 3.39Å; N387-R438 PolarHBondContact O-NH1 2.94Å; N387-R438 PolarHBondContact O-NH2 2.91Å; R435-R438 PolarHBondContact NH1-O 2.92Å; R438-H440 PolarHBondContact O-CD2 3.46Å; R438-H440 PolarHBondContact O-NE2 3.17Å; R438-L500 VanDerWaalsContact CD-O 3.28Å; R438-L500 WeakPolarHBondContact CD-O 3.41Å; R438-L500 HydrophobicContact CG-CB 3.84Å; R438-L500 WeakPolarHBondContact CG-O 3.26Å; R438-L500 PolarHBondContact NH1-O 2.81Å; R438-A502 PolarHBondContact N-O 3.01Å; R438-D503 VanDerWaalsContact CD-OD1 3.24Å; R438-D503 WeakPolarHBondContact CD-OD1 3.39Å; R438-D503 IonicContact NE-OD1 3.5Å; R438-D503 PolarHBondContact NE-OD1 2.96Å | ||
| 439 | L | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -84.6 | 123.7 | 174.7 | -178.2 | 65.9 | 0 | 0 | 0 | 108.8 | L385 Q389 V431 K441 L442 Q445 | L385-L439 HydrophobicContact CD2-CD2 4.12Å; L385-L439 HydrophobicContact CD2-CG 4.25Å; Q389-L439 PolarHBondContact NE2-O 2.86Å; V431-L439 HydrophobicContact CG1-CD2 4.48Å; L439-K441 VanDerWaalsContact CD1-O 3.29Å; L439-K441 WeakPolarHBondContact CD1-O 3.42Å; L439-L442 HydrophobicContact CD2-CD2 3.62Å; L439-L442 HydrophobicContact CG-CD2 4.4Å; L439-Q445 HydrophobicContact CD1-CG 3.94Å; L439-Q445 HydrophobicContact CD2-CG 4.32Å | ||
| 440 | H | 94.8 | Very high | 94.7 | Very high | 37 Ų | 37 | 37.1 Ų | 37.1 | 17% | 0.171 | 19% | 0.186 | C | C | . | . | trans | -110.9 | -15.7 | -176.8 | -59.6 | -64.7 | 0 | 0 | 0 | 113.7 | L385 R438 D503 V642 | L385-H440 VanDerWaalsContact CD1-O 3.22Å; L385-H440 WeakPolarHBondContact CD1-O 3.35Å; R438-H440 PolarHBondContact O-CD2 3.46Å; R438-H440 PolarHBondContact O-NE2 3.17Å; H440-D503 IonicContact CE1-OD1 3.26Å; H440-D503 PolarHBondContact CE1-OD1 3.19Å; H440-D503 VanDerWaalsContact CE1-OD1 3.27Å; H440-D503 PolarHBondContact NE2-O 3.22Å; H440-V642 WeakPolarHBondContact CB-O 3.26Å; H440-V642 PolarHBondContact CD2-O 2.91Å | ||
| 441 | K | 92.5 | Very high | 94.7 | Very high | 78 Ų | 78 | 36.8 Ų | 36.8 | 34% | 0.339 | 19% | 0.185 | S | C | . | . | trans | -152 | 147.8 | 178.8 | -161.3 | 169 | -172.9 | 159.2 | 0 | 111.1 | L439 T443 Q445 E643 | L439-K441 VanDerWaalsContact CD1-O 3.29Å; L439-K441 WeakPolarHBondContact CD1-O 3.42Å; K441-T443 HydrophobicContact CB-CG2 4.14Å; K441-T443 HydrophobicContact CD-CG2 3.8Å; K441-T443 HydrophobicContact CG-CG2 3.69Å; K441-Q445 PolarHBondContact O-OE1 3.37Å; K441-E643 WeakPolarHBondContact CB-O 3.33Å; K441-E643 HydrophobicContact CD-CG 4.46Å; K441-E643 WeakPolarHBondContact CD-O 3.15Å; K441-E643 IonicContact NZ-OE1 3.44Å; K441-E643 PolarHBondContact NZ-OE1 2.87Å | ||
| 442 | L | 92.1 | Very high | 94.4 | Very high | 64 Ų | 64 | 42.4 Ų | 42.4 | 34% | 0.335 | 21% | 0.213 | S | C | . | . | trans | -100.9 | 83.2 | 177.5 | -63.6 | 172.3 | 0 | 0 | 0 | 109.1 | F378 L385 F429 L439 Q445 | F378-L442 HydrophobicContact CE2-CD1 3.58Å; F378-L442 HydrophobicContact CZ-CD1 4.21Å; L385-L442 HydrophobicContact CD1-CG 4.33Å; L385-L442 HydrophobicContact CD2-CD2 4.47Å; L385-L442 HydrophobicContact CD2-CG 4.47Å; F429-L442 HydrophobicContact CD1-CD2 3.75Å; F429-L442 HydrophobicContact CE1-CD1 3.81Å; F429-L442 HydrophobicContact CE1-CD2 3.78Å; F429-L442 HydrophobicContact CE1-CG 4.45Å; F429-L442 HydrophobicContact CG-CD2 4.19Å; F429-L442 HydrophobicContact CZ-CD1 3.97Å; F429-L442 HydrophobicContact CZ-CD2 4.26Å; L439-L442 HydrophobicContact CD2-CD2 3.62Å; L439-L442 HydrophobicContact CG-CD2 4.4Å; L442-Q445 HydrophobicContact CD2-CB 4.04Å | ||
| 443 | T | 86.2 | Confident | 94.3 | Very high | 29 Ų | 29 | 45 Ų | 45 | 18% | 0.178 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -101.6 | -47.4 | -175.2 | 54.4 | 0 | 0 | 0 | 0 | 112.4 | K441 Q522 F636 L644 | K441-T443 HydrophobicContact CB-CG2 4.14Å; K441-T443 HydrophobicContact CD-CG2 3.8Å; K441-T443 HydrophobicContact CG-CG2 3.69Å; T443-Q522 PolarHBondContact OG1-OE1 2.97Å; T443-F636 HydrophobicContact CG2-CD1 4.4Å; T443-L644 HydrophobicContact CG2-CD2 4.25Å |
| 444 | V | 86.3 | Confident | 94 | Very high | 9 Ų | 9 | 45.4 Ų | 45.4 | 6% | 0.055 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -121.6 | -14 | -176.2 | -64.4 | 0 | 0 | 0 | 0 | 112.6 | Q522 K524 Q569 F636 | V444-Q522 HydrophobicContact CG2-CB 4.5Å; V444-K524 HydrophobicContact CB-CB 4.28Å; V444-K524 HydrophobicContact CB-CD 4.38Å; V444-K524 HydrophobicContact CG1-CB 4.23Å; V444-Q569 PolarHBondContact O-NE2 2.72Å; V444-F636 HydrophobicContact CG1-CD2 3.57Å; V444-F636 HydrophobicContact CG1-CE2 3.43Å; V444-F636 VanDerWaalsContact CG1-CE2 3.43Å |
| 445 | Q | 93.8 | Very high | 93.8 | Very high | 20 Ų | 20 | 49.1 Ų | 49.1 | 9% | 0.093 | 25% | 0.245 | C | C | . | . | trans | -68.3 | 139.6 | -177.5 | -66.8 | 72.2 | 25.3 | 0 | 0 | 110.3 | F429 K430 V431 E432 L439 K441 L442 Q522 | F429-Q445 HydrophobicContact CB-CB 4.44Å; K430-Q445 WeakPolarHBondContact O-CA 3.46Å; V431-Q445 HydrophobicContact CB-CG 4.38Å; V431-Q445 HydrophobicContact CG1-CG 3.88Å; E432-Q445 PolarHBondContact OE1-NE2 2.9Å; E432-Q445 PolarHBondContact OE2-NE2 3Å; L439-Q445 HydrophobicContact CD1-CG 3.94Å; L439-Q445 HydrophobicContact CD2-CG 4.32Å; K441-Q445 PolarHBondContact O-OE1 3.37Å; L442-Q445 HydrophobicContact CD2-CB 4.04Å; Q445-Q522 VanDerWaalsContact NE2-NE2 3.11Å | ||
| 446 | E | 92.3 | Very high | 93.5 | Very high | 92 Ų | 92 | 51.5 Ų | 51.5 | 43% | 0.43 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 128.5 | 178.3 | -176.6 | -176.4 | 161.4 | 0 | 0 | 109.4 | F429 K430 V448 | F429-E446 CarbonylContact C-O 3.48Å; F429-E446 WeakPolarHBondContact CA-O 3.34Å; K430-E446 HydrophobicContact CB-CB 4.5Å; K430-E446 PolarHBondContact N-O 3.48Å; K430-E446 PolarHBondContact O-N 3.29Å; E446-V448 HydrophobicContact CB-CG1 4.43Å; E446-V448 HydrophobicContact CG-CG1 4.16Å; E446-V448 PolarHBondContact O-N 3.14Å |
| 447 | R | 95.8 | Very high | 93.5 | Very high | 123 Ų | 123 | 49.2 Ų | 49.2 | 46% | 0.464 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 102 | 171.3 | -171.6 | 170 | 64.9 | 162.1 | -2.1 | 109.1 | F378 E427 F429 | F378-R447 VanDerWaalsContact CD1-NH1 3.31Å; E427-R447 WeakPolarHBondContact OE2-CD 3.4Å; E427-R447 IonicContact OE2-NH1 3.77Å; F429-R447 HydrophobicContact CD1-CB 3.9Å; F429-R447 HydrophobicContact CD1-CG 4.33Å; F429-R447 HydrophobicContact CE1-CB 3.62Å; F429-R447 HydrophobicContact CE1-CG 3.85Å; F429-R447 HydrophobicContact CZ-CB 4.45Å; F429-R447 HydrophobicContact CZ-CG 4.19Å |
| 448 | V | 96.7 | Very high | 93.3 | Very high | 28 Ų | 28 | 47 Ų | 47 | 17% | 0.17 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -21.8 | -173.7 | -65.1 | 0 | 0 | 0 | 0 | 113.3 | I428 K430 E446 L465 Y470 | I428-V448 HydrophobicContact CB-CG2 4.04Å; I428-V448 HydrophobicContact CG2-CG2 3.7Å; I428-V448 VanDerWaalsContact O-CG2 3.28Å; I428-V448 WeakPolarHBondContact O-CG2 3.3Å; I428-V448 PolarHBondContact O-N 3.21Å; K430-V448 HydrophobicContact CB-CG1 3.88Å; E446-V448 HydrophobicContact CB-CG1 4.43Å; E446-V448 HydrophobicContact CG-CG1 4.16Å; E446-V448 PolarHBondContact O-N 3.14Å; V448-L465 HydrophobicContact CB-CD2 4.36Å; V448-L465 HydrophobicContact CG2-CD2 4.01Å; V448-Y470 HydrophobicContact CG1-CE1 4.28Å; V448-Y470 HydrophobicContact CG2-CD1 3.86Å; V448-Y470 HydrophobicContact CG2-CE1 3.8Å |
| 449 | A | 96.7 | Very high | 93.2 | Very high | 10 Ų | 10 | 47 Ų | 47 | 8% | 0.083 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 150.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I428 L461 R463 | I428-A449 HydrophobicContact CB-CB 4.14Å; I428-A449 HydrophobicContact CD1-CB 4.21Å; I428-A449 HydrophobicContact CG1-CB 4.35Å; I428-A449 PolarHBondContact N-O 2.72Å; I428-A449 PolarHBondContact O-N 3.01Å; A449-L461 HydrophobicContact CB-CD2 3.82Å; A449-R463 HydrophobicContact CB-CG 4.27Å |
| 450 | T | 96.7 | Very high | 93.2 | Very high | 70 Ų | 70 | 48.6 Ų | 48.6 | 43% | 0.429 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 138.8 | 172.8 | -179.2 | 0 | 0 | 0 | 0 | 107.3 | E427 | E427-T450 PolarHBondContact OE1-OG1 3.44Å; E427-T450 WeakPolarHBondContact OE2-CA 3.3Å; E427-T450 WeakPolarHBondContact OE2-CB 3.22Å; E427-T450 PolarHBondContact OE2-OG1 2.86Å; E427-T450 VanDerWaalsContact OE2-OG1 3.11Å |
| 451 | S | 96 | Very high | 93.2 | Very high | 6 Ų | 6 | 48.4 Ų | 48.4 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | trans | -83.8 | 161.9 | 168.8 | 78.7 | 0 | 0 | 0 | 0 | 110.3 | G425 F426 | G425-S451 WeakPolarHBondContact CA-OG 3.44Å; F426-S451 PolarHBondContact N-OG 3.14Å; F426-S451 PolarHBondContact O-N 3.38Å | ||
| 452 | M | 91.5 | Very high | 93.2 | Very high | 119 Ų | 119 | 48.3 Ų | 48.3 | 59% | 0.586 | 24% | 0.242 | S | C | * | . | trans | -64.7 | 150.8 | 162.3 | -64.7 | 179 | 68.5 | 0 | 0 | 109.7 | I454 | M452-I454 HydrophobicContact CB-CG2 4.16Å; M452-I454 HydrophobicContact CE-CG2 4.4Å | ||
| 453 | Y | 94.1 | Very high | 93.3 | Very high | 54 Ų | 54 | 51.6 Ų | 51.6 | 21% | 0.212 | 25% | 0.25 | C | S | . | . | trans | -102.7 | 111.1 | 168.8 | -75.7 | -101.8 | 0 | 0 | 0 | 107.9 | C377 I424 E427 T475 Y477 | C377-Y453 HydrophobicContact CB-CD1 4.22Å; C377-Y453 HydrophobicContact CB-CE1 3.43Å; C377-Y453 VanDerWaalsContact CB-CE1 3.43Å; C377-Y453 HydrophobicContact CB-CE2 4.35Å; I424-Y453 WeakPolarHBondContact O-CA 3.25Å; E427-Y453 PolarHBondContact OE1-OH 3.04Å; Y453-T475 VanDerWaalsContact CE1-OG1 3.25Å; Y453-T475 WeakPolarHBondContact CE1-OG1 3.44Å; Y453-T475 PolarHBondContact OH-OG1 3.23Å; Y453-Y477 AromaticContact CD1-CD2 3.78Å; Y453-Y477 HydrophobicContact CD1-CD2 3.78Å; Y453-Y477 HydrophobicContact CD1-CG 4.45Å; Y453-Y477 HydrophobicContact CE1-CD2 4.5Å; Y453-Y477 AromaticContact CG-CD2 3.94Å; Y453-Y477 HydrophobicContact CG-CD2 3.94Å | ||
| 454 | I | 90.3 | Very high | 93.8 | Very high | 56 Ų | 56 | 54.1 Ų | 54.1 | 29% | 0.287 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -136.1 | 148.3 | -175.2 | 55.6 | 174.1 | 0 | 0 | 0 | 109.4 | P423 I424 M452 T456 V459 | P423-I454 WeakPolarHBondContact CA-O 3.09Å; I424-I454 PolarHBondContact N-O 2.9Å; M452-I454 HydrophobicContact CB-CG2 4.16Å; M452-I454 HydrophobicContact CE-CG2 4.4Å; I454-T456 HydrophobicContact CB-CG2 4.34Å; I454-T456 HydrophobicContact CD1-CG2 3.75Å; I454-T456 VanDerWaalsContact CD1-OG1 3.25Å; I454-T456 WeakPolarHBondContact CD1-OG1 3.45Å; I454-T456 HydrophobicContact CG1-CG2 4.1Å; I454-T456 WeakPolarHBondContact CG1-OG1 3.39Å; I454-T456 PolarHBondContact O-N 3Å; I454-V459 HydrophobicContact CD1-CG2 4.16Å; I454-V459 HydrophobicContact CG1-CG2 3.65Å |
| 455 | N | 90.4 | Very high | 94.3 | Very high | 112 Ų | 112 | 54 Ų | 54 | 60% | 0.599 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -82 | 50.3 | 177.9 | 61.6 | -25.6 | 0 | 0 | 0 | 111.5 | S421 P423 | S421-N455 WeakPolarHBondContact CB-O 3.27Å; P423-N455 HydrophobicContact CG-CB 4.22Å |
| 456 | T | 91.6 | Very high | 94.3 | Very high | 51 Ų | 51 | 59.6 Ų | 59.6 | 31% | 0.313 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -112.1 | 162.3 | 175.6 | 64.4 | 0 | 0 | 0 | 0 | 110.5 | Q407 I454 T458 | Q407-T456 PolarHBondContact NE2-O 3.45Å; I454-T456 HydrophobicContact CB-CG2 4.34Å; I454-T456 HydrophobicContact CD1-CG2 3.75Å; I454-T456 VanDerWaalsContact CD1-OG1 3.25Å; I454-T456 WeakPolarHBondContact CD1-OG1 3.45Å; I454-T456 HydrophobicContact CG1-CG2 4.1Å; I454-T456 WeakPolarHBondContact CG1-OG1 3.39Å; I454-T456 PolarHBondContact O-N 3Å; T456-T458 VanDerWaalsContact C-N 3.25Å; T456-T458 PolarHBondContact O-N 3Å; T456-T458 PolarHBondContact OG1-O 2.77Å |
| 457 | R | 94.1 | Very high | 94.4 | Very high | 8 Ų | 8 | 59 Ų | 59 | 3% | 0.03 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -67.2 | -29.2 | 178.1 | -164.6 | 173.6 | 66.4 | 157.1 | 11.3 | 112.2 | D184 D188 Q406 Q407 D409 S421 | D184-R457 VanDerWaalsContact C-NH2 3.31Å; D184-R457 PolarHBondContact O-NH2 3.34Å; D184-R457 WeakPolarHBondContact OD1-CB 3.36Å; D184-R457 IonicContact OD1-CZ 3.67Å; D184-R457 IonicContact OD1-NE 3.28Å; D184-R457 PolarHBondContact OD1-NE 3.44Å; D184-R457 IonicContact OD1-NH2 3.98Å; D184-R457 PolarHBondContact OD1-NH2 3.12Å; D184-R457 VanDerWaalsContact OD2-CB 3.26Å; D184-R457 WeakPolarHBondContact OD2-CB 3.17Å; D184-R457 IonicContact OD2-NE 2.72Å; D184-R457 PolarHBondContact OD2-NE 2.86Å; D188-R457 IonicContact OD1-CZ 2.78Å; D188-R457 VanDerWaalsContact OD1-CZ 3.3Å; D188-R457 IonicContact OD1-NH1 3.88Å; D188-R457 PolarHBondContact OD1-NH1 3.18Å; D188-R457 IonicContact OD1-NH2 2.72Å; D188-R457 PolarHBondContact OD1-NH2 3.36Å; D188-R457 IonicContact OD2-CZ 2.79Å; D188-R457 IonicContact OD2-NH1 3.88Å; D188-R457 PolarHBondContact OD2-NH1 3.49Å; D188-R457 IonicContact OD2-NH2 2.72Å; Q406-R457 VanDerWaalsContact CA-O 3.31Å; Q406-R457 WeakPolarHBondContact CA-O 3.47Å; Q406-R457 HydrophobicContact CG-CG 4.49Å; Q407-R457 HydrophobicContact CG-CG 4.32Å; Q407-R457 PolarHBondContact N-O 2.87Å; D409-R457 IonicContact OD2-CZ 2.72Å; D409-R457 IonicContact OD2-NH1 2.68Å; D409-R457 PolarHBondContact OD2-NH1 3.11Å; S421-R457 PolarHBondContact OG-N 2.79Å |
| 458 | T | 94.5 | Very high | 94.4 | Very high | 18 Ų | 18 | 53.7 Ų | 53.7 | 11% | 0.11 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 134.5 | -178.4 | -56.3 | 0 | 0 | 0 | 0 | 112 | S404 L405 Q406 T456 | S404-T458 WeakPolarHBondContact OG-CG2 3.27Å; L405-T458 CarbonylContact O-C 3.44Å; L405-T458 WeakPolarHBondContact O-CA 3.24Å; Q406-T458 HydrophobicContact CB-CG2 4.33Å; T456-T458 VanDerWaalsContact C-N 3.25Å; T456-T458 PolarHBondContact O-N 3Å; T456-T458 PolarHBondContact OG1-O 2.77Å |
| 459 | V | 95.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.024 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 133.6 | 169.5 | 176.1 | 0 | 0 | 0 | 0 | 109.6 | S404 L405 I424 F426 I454 | S404-V459 WeakPolarHBondContact CA-O 3.21Å; L405-V459 PolarHBondContact N-O 3.3Å; L405-V459 PolarHBondContact O-N 2.96Å; I424-V459 HydrophobicContact CD1-CG2 4.3Å; I424-V459 HydrophobicContact CG1-CG2 3.79Å; F426-V459 HydrophobicContact CE1-CG1 4.02Å; I454-V459 HydrophobicContact CD1-CG2 4.16Å; I454-V459 HydrophobicContact CG1-CG2 3.65Å |
| 460 | F | 95 | Very high | 94.4 | Very high | 32 Ų | 32 | 54.1 Ų | 54.1 | 14% | 0.14 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 143.1 | -178.2 | 177.7 | -95.7 | 0 | 0 | 0 | 111.6 | V193 A194 E195 L402 V403 K462 | V193-F460 HydrophobicContact CG1-CD2 3.42Å; V193-F460 VanDerWaalsContact CG1-CD2 3.42Å; V193-F460 HydrophobicContact CG1-CE2 3.43Å; V193-F460 VanDerWaalsContact CG1-CE2 3.43Å; A194-F460 VanDerWaalsContact O-CB 3.28Å; A194-F460 WeakPolarHBondContact O-CB 3.48Å; E195-F460 HydrophobicContact CB-CD1 3.51Å; E195-F460 HydrophobicContact CB-CE1 3.73Å; E195-F460 HydrophobicContact CB-CG 4.12Å; E195-F460 HydrophobicContact CG-CD1 3.55Å; E195-F460 HydrophobicContact CG-CE1 3.75Å; L402-F460 HydrophobicContact CB-CE2 3.86Å; L402-F460 HydrophobicContact CB-CZ 4.05Å; L402-F460 HydrophobicContact CD1-CZ 4.45Å; L402-F460 HydrophobicContact CD2-CZ 4.04Å; L402-F460 HydrophobicContact CG-CZ 4.41Å; V403-F460 CarbonylContact O-C 3.53Å; V403-F460 WeakPolarHBondContact O-CA 3.5Å; V403-F460 WeakPolarHBondContact O-CD2 3.26Å; F460-K462 HydrophobicContact CE1-CB 3.76Å; F460-K462 HydrophobicContact CZ-CB 4.12Å |
| 461 | L | 94.9 | Very high | 94.5 | Very high | 33 Ų | 33 | 50.8 Ų | 50.8 | 17% | 0.173 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 135.6 | 171.2 | -174.2 | 67.9 | 0 | 0 | 0 | 110.6 | L402 V403 F426 I428 A449 | L402-L461 WeakPolarHBondContact CA-O 3.48Å; V403-L461 PolarHBondContact N-O 3.43Å; V403-L461 PolarHBondContact O-N 3.15Å; F426-L461 HydrophobicContact CE2-CB 3.86Å; F426-L461 HydrophobicContact CE2-CD2 3.75Å; F426-L461 HydrophobicContact CE2-CG 4.49Å; F426-L461 HydrophobicContact CZ-CB 3.46Å; F426-L461 VanDerWaalsContact CZ-CB 3.46Å; F426-L461 HydrophobicContact CZ-CD2 4.23Å; I428-L461 HydrophobicContact CD1-CD2 4.38Å; A449-L461 HydrophobicContact CB-CD2 3.82Å |
| 462 | K | 93.3 | Very high | 94.7 | Very high | 76 Ų | 76 | 50.5 Ų | 50.5 | 33% | 0.33 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 119.4 | 171.9 | 173 | 175.3 | 70.8 | -145.2 | 0 | 108.7 | E195 K400 L402 F460 | E195-K462 IonicContact OE1-NZ 3.42Å; E195-K462 PolarHBondContact OE1-NZ 2.74Å; E195-K462 IonicContact OE2-NZ 3.98Å; E195-K462 PolarHBondContact OE2-NZ 3.17Å; K400-K462 HydrophobicContact CD-CG 4.38Å; K400-K462 HydrophobicContact CG-CG 4.48Å; L402-K462 HydrophobicContact CD2-CB 3.84Å; L402-K462 HydrophobicContact CD2-CD 4.09Å; L402-K462 HydrophobicContact CD2-CG 3.59Å; F460-K462 HydrophobicContact CE1-CB 3.76Å; F460-K462 HydrophobicContact CZ-CB 4.12Å |
| 463 | R | 94.8 | Very high | 95 | Very high | 134 Ų | 134 | 44.8 Ų | 44.8 | 51% | 0.506 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 146.4 | -178.3 | -159.7 | 70.1 | 174.5 | 179.8 | 0.3 | 111.2 | V401 A449 L465 | V401-R463 PolarHBondContact N-O 3.2Å; V401-R463 PolarHBondContact O-N 3.39Å; A449-R463 HydrophobicContact CB-CG 4.27Å; R463-L465 HydrophobicContact CB-CD2 4.44Å; R463-L465 HydrophobicContact CG-CD2 3.89Å |
| 464 | V | 96 | Very high | 95.2 | Very high | 82 Ų | 82 | 42.2 Ų | 42.2 | 50% | 0.497 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 123.3 | 165.7 | -178 | 0 | 0 | 0 | 0 | 107.5 | E398 D399 | E398-V464 HydrophobicContact CB-CG1 3.99Å; D399-V464 WeakPolarHBondContact O-CA 3.49Å |
| 465 | L | 96.1 | Very high | 95.6 | Very high | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 143.6 | 178.3 | -63.2 | -175.8 | 0 | 0 | 0 | 109.4 | F392 V394 E398 D399 V401 I428 V448 R463 Y470 | F392-L465 HydrophobicContact CE2-CD1 4.2Å; F392-L465 HydrophobicContact CZ-CD1 3.97Å; V394-L465 HydrophobicContact CG2-CB 4.11Å; V394-L465 HydrophobicContact CG2-CD1 4.46Å; E398-L465 CarbonylContact C-O 3.44Å; E398-L465 WeakPolarHBondContact CA-O 3.36Å; D399-L465 PolarHBondContact N-O 3.07Å; D399-L465 PolarHBondContact O-N 2.82Å; V401-L465 HydrophobicContact CB-CD1 4.25Å; V401-L465 HydrophobicContact CB-CG 4.49Å; V401-L465 HydrophobicContact CG2-CB 4.22Å; V401-L465 HydrophobicContact CG2-CD1 3.91Å; V401-L465 HydrophobicContact CG2-CG 4.11Å; I428-L465 HydrophobicContact CG2-CD1 4.44Å; V448-L465 HydrophobicContact CB-CD2 4.36Å; V448-L465 HydrophobicContact CG2-CD2 4.01Å; R463-L465 HydrophobicContact CB-CD2 4.44Å; R463-L465 HydrophobicContact CG-CD2 3.89Å; L465-Y470 HydrophobicContact CB-CE2 4.36Å; L465-Y470 HydrophobicContact CD1-CD1 4.23Å; L465-Y470 HydrophobicContact CD1-CD2 4.39Å; L465-Y470 HydrophobicContact CD1-CE1 4.2Å; L465-Y470 HydrophobicContact CD1-CE2 4.37Å; L465-Y470 HydrophobicContact CD1-CG 4.33Å; L465-Y470 HydrophobicContact CD2-CE1 4.49Å |
| 466 | K | 94.5 | Very high | 96 | Very high | 136 Ų | 136 | 34.2 Ų | 34.2 | 59% | 0.591 | 16% | 0.163 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 169.6 | 173.2 | -68.9 | -176.4 | 177.3 | -178.3 | 0 | 110.9 | V394 T397 E398 G468 Y470 | V394-K466 WeakPolarHBondContact CB-O 3.41Å; V394-K466 WeakPolarHBondContact CG1-O 3.19Å; T397-K466 CarbonylContact O-C 3.58Å; T397-K466 WeakPolarHBondContact O-CA 3.49Å; E398-K466 HydrophobicContact CG-CG 4.25Å; K466-G468 PolarHBondContact O-N 2.82Å; K466-Y470 PolarHBondContact O-OH 3.43Å |
| 467 | Q | 94.3 | Very high | 96.2 | Very high | 80 Ų | 80 | 36.1 Ų | 36.1 | 37% | 0.374 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 136 | 170.3 | -162.2 | 177.6 | 6.4 | 0 | 0 | 111 | V394 K395 K396 T397 K430 | V394-Q467 WeakPolarHBondContact O-CA 3.39Å; V394-Q467 WeakPolarHBondContact O-CG 3.44Å; K395-Q467 PolarHBondContact O-NE2 2.98Å; K396-Q467 VanDerWaalsContact O-CA 3.31Å; K396-Q467 WeakPolarHBondContact O-CA 3.48Å; K396-Q467 WeakPolarHBondContact O-CB 3.41Å; K396-Q467 PolarHBondContact O-N 3.33Å; T397-Q467 PolarHBondContact O-N 2.78Å; K430-Q467 PolarHBondContact NZ-O 2.94Å |
| 468 | G | 94.9 | Very high | 96.3 | Very high | 11 Ų | 11 | 41.2 Ų | 41.2 | 11% | 0.113 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.1 | -174.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V394 K466 Y470 | V394-G468 PolarHBondContact N-O 3.36Å; V394-G468 PolarHBondContact O-N 2.94Å; K466-G468 PolarHBondContact O-N 2.82Å; G468-Y470 WeakPolarHBondContact O-CE2 3.36Å |
| 469 | R | 97.1 | Very high | 96.5 | Very high | 43 Ų | 43 | 43.1 Ų | 43.1 | 16% | 0.162 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 139.4 | 175.5 | 179.5 | 164.5 | -84.9 | 171.8 | 18.9 | 110.9 | I391 D393 V431 E432 D433 R435 | I391-R469 HydrophobicContact CD1-CG 3.8Å; I391-R469 HydrophobicContact CG1-CG 3.81Å; D393-R469 IonicContact OD1-CZ 3.74Å; D393-R469 IonicContact OD1-NE 3.66Å; D393-R469 PolarHBondContact OD1-NE 3.48Å; D393-R469 IonicContact OD1-NH2 2.73Å; D393-R469 PolarHBondContact OD1-NH2 2.72Å; D393-R469 VanDerWaalsContact OD1-NH2 3.12Å; D393-R469 IonicContact OD2-NH2 3.82Å; D393-R469 PolarHBondContact OD2-NH2 3.28Å; D393-R469 VanDerWaalsContact OD2-NH2 3.13Å; V431-R469 HydrophobicContact CG2-CB 4.29Å; V431-R469 HydrophobicContact CG2-CG 3.71Å; V431-R469 PolarHBondContact N-O 2.95Å; E432-R469 VanDerWaalsContact O-CD 3.28Å; E432-R469 WeakPolarHBondContact O-CD 3.43Å; D433-R469 PolarHBondContact O-NH1 3.14Å; R435-R469 PolarHBondContact O-NH1 3.47Å |
| 470 | Y | 98.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 146.1 | -172.6 | -62.3 | -85.9 | 0 | 0 | 0 | 111.9 | I391 F392 V394 I428 F429 K430 V448 L465 K466 G468 | I391-Y470 CarbonylContact C-O 3.53Å; I391-Y470 VanDerWaalsContact CA-O 3.29Å; I391-Y470 WeakPolarHBondContact CA-O 3.38Å; I391-Y470 WeakPolarHBondContact CG1-O 3.19Å; F392-Y470 VanDerWaalsContact CE1-CB 3.43Å; F392-Y470 HydrophobicContact CE1-CG 4.39Å; F392-Y470 HydrophobicContact CE2-CD2 4.05Å; F392-Y470 HydrophobicContact CE2-CG 4.25Å; F392-Y470 VanDerWaalsContact CZ-CB 3.48Å; F392-Y470 HydrophobicContact CZ-CD2 4.22Å; F392-Y470 AromaticContact CZ-CG 3.95Å; F392-Y470 HydrophobicContact CZ-CG 3.95Å; F392-Y470 PolarHBondContact N-O 2.75Å; F392-Y470 PolarHBondContact O-N 2.89Å; V394-Y470 HydrophobicContact CB-CD2 4.43Å; V394-Y470 HydrophobicContact CB-CE2 3.89Å; V394-Y470 HydrophobicContact CG2-CD2 3.86Å; V394-Y470 HydrophobicContact CG2-CE2 3.61Å; I428-Y470 HydrophobicContact CG2-CD1 4Å; I428-Y470 HydrophobicContact CG2-CG 4.37Å; F429-Y470 CarbonylContact O-C 3.59Å; F429-Y470 WeakPolarHBondContact O-CA 2.97Å; K430-Y470 HydrophobicContact CB-CD1 4.07Å; K430-Y470 HydrophobicContact CB-CE1 3.78Å; K430-Y470 HydrophobicContact CD-CE1 4.39Å; K430-Y470 HydrophobicContact CG-CE1 4.09Å; V448-Y470 HydrophobicContact CG1-CE1 4.28Å; V448-Y470 HydrophobicContact CG2-CD1 3.86Å; V448-Y470 HydrophobicContact CG2-CE1 3.8Å; L465-Y470 HydrophobicContact CB-CE2 4.36Å; L465-Y470 HydrophobicContact CD1-CD1 4.23Å; L465-Y470 HydrophobicContact CD1-CD2 4.39Å; L465-Y470 HydrophobicContact CD1-CE1 4.2Å; L465-Y470 HydrophobicContact CD1-CE2 4.37Å; L465-Y470 HydrophobicContact CD1-CG 4.33Å; L465-Y470 HydrophobicContact CD2-CE1 4.49Å; K466-Y470 PolarHBondContact O-OH 3.43Å; G468-Y470 WeakPolarHBondContact O-CE2 3.36Å |
| 471 | V | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.7 | 167.3 | 174.2 | 0 | 0 | 0 | 0 | 109 | Q389 Y390 I391 I428 F429 V431 I473 L500 | Q389-V471 HydrophobicContact CB-CG1 3.98Å; Q389-V471 HydrophobicContact CG-CG1 4.44Å; Y390-V471 CarbonylContact O-C 3.46Å; Y390-V471 WeakPolarHBondContact O-CA 3.45Å; I391-V471 HydrophobicContact CB-CG2 4.45Å; I391-V471 HydrophobicContact CD1-CG2 4.4Å; I391-V471 HydrophobicContact CG1-CG2 4.14Å; I428-V471 WeakPolarHBondContact CA-O 3.44Å; F429-V471 PolarHBondContact N-O 3.47Å; F429-V471 PolarHBondContact O-N 3.11Å; V431-V471 HydrophobicContact CB-CG2 4.35Å; V431-V471 HydrophobicContact CG1-CB 3.94Å; V431-V471 HydrophobicContact CG1-CG2 3.67Å; V431-V471 HydrophobicContact CG2-CG2 3.84Å; V471-I473 HydrophobicContact CG1-CD1 4.18Å; V471-I473 HydrophobicContact CG1-CG1 3.77Å; V471-L500 HydrophobicContact CG2-CD1 3.87Å |
| 472 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.4 | 174.9 | -171.7 | 166.6 | 0 | 0 | 0 | 108.7 | Y390 F392 V403 F426 E427 I428 P474 L487 | Y390-L472 PolarHBondContact N-O 3.04Å; Y390-L472 PolarHBondContact O-N 3.22Å; F392-L472 HydrophobicContact CD1-CB 4.46Å; F392-L472 HydrophobicContact CE1-CB 4.13Å; F392-L472 HydrophobicContact CE1-CD1 4.48Å; V403-L472 HydrophobicContact CB-CD1 4.46Å; V403-L472 HydrophobicContact CG1-CD1 3.67Å; V403-L472 HydrophobicContact CG2-CD1 3.89Å; F426-L472 HydrophobicContact CB-CD2 4.1Å; F426-L472 HydrophobicContact CD2-CD2 4.44Å; F426-L472 HydrophobicContact CD2-CG 4.35Å; F426-L472 HydrophobicContact CG-CD2 4.37Å; E427-L472 WeakPolarHBondContact O-CA 3.33Å; I428-L472 HydrophobicContact CG1-CG 4.26Å; L472-P474 HydrophobicContact CD2-CG 4.47Å; L472-L487 HydrophobicContact CD1-CD1 4.03Å; L472-L487 HydrophobicContact CD1-CD2 4.18Å; L472-L487 HydrophobicContact CD2-CD1 3.77Å; L472-L487 HydrophobicContact CD2-CD2 3.71Å; L472-L487 HydrophobicContact CD2-CG 4.4Å; L472-L487 HydrophobicContact CG-CD2 4.49Å |
| 473 | I | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 99.2 | -176.7 | -52.6 | -174.2 | 0 | 0 | 0 | 108.8 | F384 L385 N387 Q389 F426 E427 F429 V471 T475 | F384-I473 HydrophobicContact CE1-CD1 3.75Å; F384-I473 HydrophobicContact CE2-CB 4.43Å; F384-I473 HydrophobicContact CE2-CG2 4Å; F384-I473 HydrophobicContact CZ-CB 3.95Å; F384-I473 HydrophobicContact CZ-CD1 3.87Å; F384-I473 HydrophobicContact CZ-CG1 4.43Å; F384-I473 HydrophobicContact CZ-CG2 3.88Å; L385-I473 HydrophobicContact CD2-CD1 3.67Å; N387-I473 HydrophobicContact CB-CG2 3.65Å; Q389-I473 HydrophobicContact CG-CD1 4.26Å; Q389-I473 HydrophobicContact CG-CG1 4.22Å; F426-I473 VanDerWaalsContact CA-O 3.22Å; F426-I473 WeakPolarHBondContact CA-O 3.44Å; F426-I473 WeakPolarHBondContact CB-O 3.22Å; E427-I473 PolarHBondContact N-O 3.21Å; E427-I473 VanDerWaalsContact N-O 3.11Å; E427-I473 PolarHBondContact O-N 3.24Å; F429-I473 HydrophobicContact CD2-CD1 4.19Å; F429-I473 HydrophobicContact CE2-CD1 4.08Å; V471-I473 HydrophobicContact CG1-CD1 4.18Å; V471-I473 HydrophobicContact CG1-CG1 3.77Å; I473-T475 HydrophobicContact CG2-CG2 3.94Å |
| 474 | P | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 137.1 | 172.4 | 31.6 | -33.8 | 0 | 0 | 0 | 111.2 | W363 P388 Y390 L405 F426 L472 F485 | W363-P474 HydrophobicContact CZ2-CB 4.24Å; W363-P474 PolarHBondContact NE1-O 3.02Å; P388-P474 WeakPolarHBondContact O-CD 3.23Å; Y390-P474 HydrophobicContact CD2-CG 4.01Å; Y390-P474 HydrophobicContact CE2-CG 3.74Å; L405-P474 HydrophobicContact CD1-CB 3.63Å; L405-P474 HydrophobicContact CD2-CB 3.8Å; L405-P474 HydrophobicContact CG-CB 4.35Å; F426-P474 HydrophobicContact CB-CB 4.44Å; L472-P474 HydrophobicContact CD2-CG 4.47Å; P474-F485 HydrophobicContact CB-CE2 4.2Å; P474-F485 HydrophobicContact CB-CZ 4.32Å; P474-F485 HydrophobicContact CG-CD2 4.41Å; P474-F485 HydrophobicContact CG-CE1 4.3Å; P474-F485 HydrophobicContact CG-CE2 3.62Å; P474-F485 HydrophobicContact CG-CZ 3.55Å |
| 475 | T | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 152.2 | -174.1 | 71.7 | 0 | 0 | 0 | 0 | 111.5 | W363 G376 F384 N387 I424 G425 Y453 I473 | W363-T475 VanDerWaalsContact CZ2-C 3.43Å; G376-T475 WeakPolarHBondContact O-CB 3.31Å; G376-T475 WeakPolarHBondContact O-CG2 3.46Å; F384-T475 HydrophobicContact CD2-CG2 4Å; F384-T475 HydrophobicContact CE2-CG2 3.67Å; N387-T475 HydrophobicContact CB-CG2 4.12Å; N387-T475 VanDerWaalsContact ND2-CG2 3.34Å; N387-T475 WeakPolarHBondContact ND2-CG2 3.47Å; I424-T475 WeakPolarHBondContact CA-O 3.06Å; G425-T475 PolarHBondContact N-O 3.43Å; G425-T475 PolarHBondContact O-N 2.97Å; G425-T475 PolarHBondContact O-OG1 3.49Å; Y453-T475 VanDerWaalsContact CE1-OG1 3.25Å; Y453-T475 WeakPolarHBondContact CE1-OG1 3.44Å; Y453-T475 PolarHBondContact OH-OG1 3.23Å; I473-T475 HydrophobicContact CG2-CG2 3.94Å |
| 476 | T | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 157.6 | 154.6 | 51.5 | 0 | 0 | 0 | 0 | 108.9 | W363 G376 C377 I422 I424 H478 I481 | W363-T476 HydrophobicContact CD2-CG2 3.79Å; W363-T476 HydrophobicContact CE3-CG2 3.71Å; W363-T476 HydrophobicContact CG-CG2 4.34Å; W363-T476 HydrophobicContact CH2-CG2 4.19Å; W363-T476 HydrophobicContact CZ2-CG2 4.3Å; W363-T476 HydrophobicContact CZ3-CG2 3.91Å; G376-T476 CarbonylContact C-O 3.48Å; G376-T476 VanDerWaalsContact CA-O 3.23Å; G376-T476 WeakPolarHBondContact CA-O 3.23Å; C377-T476 PolarHBondContact N-O 3.31Å; I422-T476 HydrophobicContact CG2-CG2 4.14Å; I424-T476 HydrophobicContact CG2-CG2 4.22Å; T476-H478 PolarHBondContact OG1-O 2.93Å; T476-I481 HydrophobicContact CG2-CB 3.95Å; T476-I481 HydrophobicContact CG2-CG2 3.94Å |
| 477 | Y | 96.8 | Very high | 97.2 | Very high | 91 Ų | 91 | 34.7 Ų | 34.7 | 36% | 0.357 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -62.3 | -52.6 | 177.6 | -173 | -99.2 | 0 | 0 | 0 | 111.4 | C377 N380 P423 Y453 | C377-Y477 HydrophobicContact CB-CD2 4.26Å; C377-Y477 PolarHBondContact N-O 3.07Å; C377-Y477 PolarHBondContact SG-O 3.47Å; N380-Y477 PolarHBondContact ND2-O 3.16Å; P423-Y477 PolarHBondContact O-N 2.98Å; Y453-Y477 AromaticContact CD1-CD2 3.78Å; Y453-Y477 HydrophobicContact CD1-CD2 3.78Å; Y453-Y477 HydrophobicContact CD1-CG 4.45Å; Y453-Y477 HydrophobicContact CE1-CD2 4.5Å; Y453-Y477 AromaticContact CG-CD2 3.94Å; Y453-Y477 HydrophobicContact CG-CD2 3.94Å |
| 478 | H | 96.8 | Very high | 97.3 | Very high | 115 Ų | 115 | 30.9 Ų | 30.9 | 53% | 0.532 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -89.5 | 145.9 | 175.3 | -61.6 | -58.8 | 0 | 0 | 0 | 112.1 | T476 I481 | T476-H478 PolarHBondContact OG1-O 2.93Å; H478-I481 HydrophobicContact CB-CG1 4.45Å |
| 479 | P | 97.3 | Very high | 97.4 | Very high | 57 Ų | 57 | 30.3 Ų | 30.3 | 37% | 0.37 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 162.8 | 173.3 | 31 | -35 | 0 | 0 | 0 | 111.7 | N380 I481 | N380-P479 WeakPolarHBondContact OD1-CD 3.26Å; P479-I481 VanDerWaalsContact C-N 3.25Å; P479-I481 PolarHBondContact O-N 3Å |
| 480 | G | 96.6 | Very high | 97.3 | Very high | 36 Ų | 36 | 28.4 Ų | 28.4 | 37% | 0.371 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | -3.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | S374 | S374-G480 PolarHBondContact O-N 2.75Å; S374-G480 WeakPolarHBondContact OG-CA 3.26Å |
| 481 | I | 95.8 | Very high | 97.1 | Very high | 58 Ų | 58 | 28.2 Ų | 28.2 | 30% | 0.297 | 15% | 0.146 | S | C | . | . | trans | -74.1 | 129.3 | 176 | -56.4 | -59.2 | 0 | 0 | 0 | 110.5 | W363 S374 I422 T476 H478 P479 T483 | W363-I481 WeakPolarHBondContact CB-O 3.3Å; S374-I481 VanDerWaalsContact CB-O 3.32Å; S374-I481 WeakPolarHBondContact CB-O 3.36Å; I422-I481 HydrophobicContact CD1-CG2 3.73Å; I422-I481 HydrophobicContact CG2-CG2 4.21Å; T476-I481 HydrophobicContact CG2-CB 3.95Å; T476-I481 HydrophobicContact CG2-CG2 3.94Å; H478-I481 HydrophobicContact CB-CG1 4.45Å; P479-I481 VanDerWaalsContact C-N 3.25Å; P479-I481 PolarHBondContact O-N 3Å; I481-T483 HydrophobicContact CG2-CG2 4.49Å | ||
| 482 | I | 95.9 | Very high | 96.6 | Very high | 108 Ų | 108 | 30.2 Ų | 30.2 | 55% | 0.554 | 16% | 0.156 | S | C | * | . | trans | -109.1 | 114 | -178.3 | -55.8 | 173.7 | 0 | 0 | 0 | 108.7 | W363 K365 | W363-I482 WeakPolarHBondContact O-CA 3.12Å; W363-I482 WeakPolarHBondContact O-CG2 3.29Å; K365-I482 HydrophobicContact CB-CD1 3.64Å; K365-I482 HydrophobicContact CB-CG1 4.02Å | ||
| 483 | T | 95.3 | Very high | 96.2 | Very high | 12 Ų | 12 | 32.1 Ų | 32.1 | 7% | 0.074 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 164.9 | 174.2 | -171.2 | 0 | 0 | 0 | 0 | 109.9 | A362 W363 I422 I481 | A362-T483 WeakPolarHBondContact CA-O 3.28Å; W363-T483 HydrophobicContact CE3-CG2 3.33Å; W363-T483 HydrophobicContact CZ3-CG2 3.52Å; W363-T483 PolarHBondContact N-O 2.77Å; W363-T483 PolarHBondContact O-N 2.66Å; I422-T483 HydrophobicContact CD1-CG2 3.97Å; I481-T483 HydrophobicContact CG2-CG2 4.49Å |
| 484 | K | 97.3 | Very high | 95.8 | Very high | 113 Ų | 113 | 35.5 Ų | 35.5 | 49% | 0.491 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 157.7 | 175 | -53.4 | -179.6 | -162.6 | 153 | 0 | 111.1 | F128 G361 A362 E408 | F128-K484 HydrophobicContact CE1-CB 4.1Å; F128-K484 HydrophobicContact CZ-CB 4.03Å; G361-K484 WeakPolarHBondContact O-CA 3.27Å; A362-K484 HydrophobicContact CB-CG 4.2Å; E408-K484 HydrophobicContact CG-CB 3.98Å; E408-K484 IonicContact OE1-NZ 3.31Å |
| 485 | F | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 159.4 | 170.8 | 63 | -92.3 | 0 | 0 | 0 | 111.4 | F128 G361 W363 P388 Y390 L405 Q406 P474 L487 | F128-F485 VanDerWaalsContact CZ-CA 3.41Å; G361-F485 PolarHBondContact N-O 2.78Å; G361-F485 PolarHBondContact O-N 2.91Å; G361-F485 VanDerWaalsContact O-O 3.05Å; W363-F485 AromaticContact CD2-CD1 3.67Å; W363-F485 HydrophobicContact CD2-CD1 3.67Å; W363-F485 AromaticContact CD2-CE1 3.97Å; W363-F485 HydrophobicContact CD2-CE1 3.97Å; W363-F485 AromaticContact CE2-CD1 3.67Å; W363-F485 AromaticContact CE2-CE1 3.84Å; W363-F485 AromaticContact CE3-CD1 3.66Å; W363-F485 HydrophobicContact CE3-CD1 3.66Å; W363-F485 HydrophobicContact CE3-CE1 4.4Å; W363-F485 HydrophobicContact CG-CD1 4.44Å; W363-F485 HydrophobicContact CG-CE1 4.33Å; W363-F485 HydrophobicContact CH2-CB 3.82Å; W363-F485 AromaticContact CH2-CD1 3.78Å; W363-F485 HydrophobicContact CH2-CD1 3.78Å; W363-F485 HydrophobicContact CH2-CG 4.02Å; W363-F485 HydrophobicContact CZ2-CB 4.48Å; W363-F485 AromaticContact CZ2-CD1 3.74Å; W363-F485 HydrophobicContact CZ2-CD1 3.74Å; W363-F485 HydrophobicContact CZ2-CE1 4.22Å; W363-F485 HydrophobicContact CZ2-CG 4.2Å; W363-F485 HydrophobicContact CZ3-CB 3.85Å; W363-F485 AromaticContact CZ3-CD1 3.74Å; W363-F485 HydrophobicContact CZ3-CD1 3.74Å; W363-F485 HydrophobicContact CZ3-CG 4.19Å; P388-F485 HydrophobicContact CB-CZ 3.97Å; P388-F485 HydrophobicContact CG-CE1 3.97Å; P388-F485 HydrophobicContact CG-CZ 3.9Å; Y390-F485 AromaticContact CE2-CE2 3.81Å; Y390-F485 HydrophobicContact CE2-CE2 3.81Å; Y390-F485 AromaticContact CE2-CZ 3.85Å; Y390-F485 HydrophobicContact CE2-CZ 3.85Å; Y390-F485 AromaticContact CZ-CE2 3.97Å; Y390-F485 WeakPolarHBondContact OH-CE2 3.39Å; Y390-F485 WeakPolarHBondContact OH-CZ 3.19Å; L405-F485 HydrophobicContact CD1-CB 3.85Å; L405-F485 HydrophobicContact CD1-CD2 3.54Å; L405-F485 HydrophobicContact CD1-CE2 4.33Å; L405-F485 HydrophobicContact CD1-CG 3.85Å; Q406-F485 CarbonylContact O-C 3.58Å; Q406-F485 WeakPolarHBondContact O-CA 3.33Å; Q406-F485 VanDerWaalsContact O-CB 3.3Å; Q406-F485 WeakPolarHBondContact O-CB 3.39Å; P474-F485 HydrophobicContact CB-CE2 4.2Å; P474-F485 HydrophobicContact CB-CZ 4.32Å; P474-F485 HydrophobicContact CG-CD2 4.41Å; P474-F485 HydrophobicContact CG-CE1 4.3Å; P474-F485 HydrophobicContact CG-CE2 3.62Å; P474-F485 HydrophobicContact CG-CZ 3.55Å; F485-L487 HydrophobicContact CD2-CB 4.38Å; F485-L487 HydrophobicContact CE2-CB 4.34Å |
| 486 | I | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 140.1 | 160.8 | 63.5 | 176.5 | 0 | 0 | 0 | 109.7 | W126 F128 M359 H360 Q406 | W126-I486 HydrophobicContact CH2-CD1 3.49Å; W126-I486 VanDerWaalsContact CH2-CD1 3.49Å; W126-I486 HydrophobicContact CZ2-CD1 4.26Å; W126-I486 HydrophobicContact CZ3-CD1 4.25Å; F128-I486 HydrophobicContact CD1-CG2 3.88Å; F128-I486 HydrophobicContact CD2-CD1 4.33Å; F128-I486 HydrophobicContact CD2-CG1 4.2Å; F128-I486 HydrophobicContact CD2-CG2 4.08Å; F128-I486 HydrophobicContact CE1-CG2 3.7Å; F128-I486 HydrophobicContact CE2-CB 4.37Å; F128-I486 HydrophobicContact CE2-CG1 4.1Å; F128-I486 HydrophobicContact CE2-CG2 3.88Å; F128-I486 HydrophobicContact CG-CG2 4.09Å; F128-I486 HydrophobicContact CZ-CG2 3.72Å; F128-I486 WeakPolarHBondContact O-CG2 3.43Å; M359-I486 WeakPolarHBondContact O-CA 3.25Å; H360-I486 WeakPolarHBondContact CD2-CG2 3.22Å; Q406-I486 HydrophobicContact CB-CD1 4.25Å; Q406-I486 HydrophobicContact CB-CG1 3.72Å; Q406-I486 HydrophobicContact CG-CD1 4.41Å; Q406-I486 HydrophobicContact CG-CG1 4.23Å; Q406-I486 PolarHBondContact N-O 2.9Å; Q406-I486 PolarHBondContact O-N 3.24Å |
| 487 | L | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 119 | 175.3 | 178 | 68.4 | 0 | 0 | 0 | 108.7 | M358 M359 Y390 V403 L405 L472 F485 | M358-L487 CarbonylContact C-O 3.51Å; M358-L487 VanDerWaalsContact CA-O 3.31Å; M358-L487 WeakPolarHBondContact CA-O 3.35Å; M359-L487 HydrophobicContact CB-CB 4.4Å; M359-L487 PolarHBondContact N-O 3.42Å; M359-L487 PolarHBondContact O-N 2.86Å; Y390-L487 HydrophobicContact CD1-CD2 4.18Å; Y390-L487 HydrophobicContact CD2-CD2 3.61Å; Y390-L487 HydrophobicContact CE2-CD2 4.11Å; Y390-L487 HydrophobicContact CG-CD2 3.64Å; V403-L487 HydrophobicContact CG1-CD1 3.76Å; L405-L487 HydrophobicContact CD1-CD1 4.5Å; L472-L487 HydrophobicContact CD1-CD1 4.03Å; L472-L487 HydrophobicContact CD1-CD2 4.18Å; L472-L487 HydrophobicContact CD2-CD1 3.77Å; L472-L487 HydrophobicContact CD2-CD2 3.71Å; L472-L487 HydrophobicContact CD2-CG 4.4Å; L472-L487 HydrophobicContact CG-CD2 4.49Å; F485-L487 HydrophobicContact CD2-CB 4.38Å; F485-L487 HydrophobicContact CE2-CB 4.34Å |
| 488 | R | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 123.3 | 177.2 | -61.3 | 177.9 | -69.1 | 174 | 1.4 | 109.4 | G191 A192 K357 M358 V403 S404 F490 | G191-R488 PolarHBondContact O-NH1 3.14Å; A192-R488 PolarHBondContact O-NH1 3.24Å; K357-R488 CarbonylContact O-C 3.47Å; K357-R488 WeakPolarHBondContact O-CA 3.24Å; M358-R488 HydrophobicContact CB-CG 4.24Å; M358-R488 HydrophobicContact CG-CG 3.85Å; M358-R488 HydrophobicContact SD-CG 4.2Å; V403-R488 WeakPolarHBondContact CA-O 3.41Å; S404-R488 PolarHBondContact N-O 2.55Å; S404-R488 PolarHBondContact O-N 3.36Å; S404-R488 PolarHBondContact OG-NH2 3.38Å; R488-F490 HydrophobicContact CB-CE2 3.7Å; R488-F490 HydrophobicContact CB-CZ 4.16Å |
| 489 | L | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 134.7 | 175.5 | -175.1 | 71.2 | 0 | 0 | 0 | 109.5 | K356 K357 F392 V401 L402 V403 T491 S495 L497 | K356-L489 WeakPolarHBondContact CA-O 2.91Å; K357-L489 PolarHBondContact N-O 3.05Å; K357-L489 PolarHBondContact O-N 2.87Å; F392-L489 HydrophobicContact CB-CD2 3.76Å; F392-L489 HydrophobicContact CD1-CD2 4.29Å; F392-L489 HydrophobicContact CD2-CD2 3.78Å; F392-L489 HydrophobicContact CE2-CD2 4.44Å; F392-L489 HydrophobicContact CG-CD2 3.68Å; V401-L489 HydrophobicContact CG1-CD1 3.41Å; V401-L489 VanDerWaalsContact CG1-CD1 3.41Å; L402-L489 WeakPolarHBondContact O-CA 3.32Å; V403-L489 HydrophobicContact CG2-CD1 3.75Å; L489-T491 HydrophobicContact CD2-CG2 4.34Å; L489-T491 HydrophobicContact CG-CG2 4.25Å; L489-S495 WeakPolarHBondContact CD2-OG 3.29Å; L489-L497 HydrophobicContact CB-CD2 3.73Å; L489-L497 HydrophobicContact CD2-CB 4.08Å; L489-L497 HydrophobicContact CD2-CD1 4.08Å; L489-L497 HydrophobicContact CD2-CD2 4.22Å; L489-L497 HydrophobicContact CD2-CG 4.36Å |
| 490 | F | 94.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 1% | 0.013 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 127 | 173.9 | -52.3 | -99.4 | 0 | 0 | 0 | 110.6 | V193 V343 W354 E355 K356 L402 R488 | V193-F490 HydrophobicContact CG2-CD2 4.41Å; V193-F490 HydrophobicContact CG2-CE1 4.27Å; V193-F490 HydrophobicContact CG2-CE2 3.42Å; V193-F490 VanDerWaalsContact CG2-CE2 3.42Å; V193-F490 HydrophobicContact CG2-CZ 3.32Å; V343-F490 HydrophobicContact CB-CD1 4.18Å; V343-F490 HydrophobicContact CB-CE1 3.89Å; V343-F490 HydrophobicContact CG1-CD1 3.61Å; V343-F490 HydrophobicContact CG1-CE1 3.83Å; V343-F490 HydrophobicContact CG1-CG 4.49Å; V343-F490 HydrophobicContact CG2-CD1 4.3Å; V343-F490 HydrophobicContact CG2-CE1 4Å; V343-F490 HydrophobicContact CG2-CZ 4.38Å; W354-F490 HydrophobicContact CB-CD1 4.42Å; W354-F490 HydrophobicContact CD2-CB 4.35Å; W354-F490 HydrophobicContact CE3-CB 3.75Å; W354-F490 HydrophobicContact CZ3-CB 4.31Å; E355-F490 VanDerWaalsContact O-CA 3.26Å; E355-F490 WeakPolarHBondContact O-CA 3.2Å; K356-F490 HydrophobicContact CB-CD1 3.86Å; K356-F490 HydrophobicContact CB-CE1 3.75Å; K356-F490 HydrophobicContact CD-CE1 3.72Å; K356-F490 HydrophobicContact CD-CZ 4.1Å; K356-F490 HydrophobicContact CG-CD1 4.06Å; K356-F490 HydrophobicContact CG-CE1 3.51Å; K356-F490 HydrophobicContact CG-CZ 3.98Å; L402-F490 HydrophobicContact CB-CB 4.03Å; L402-F490 HydrophobicContact CB-CD2 4.18Å; L402-F490 HydrophobicContact CD1-CB 4.3Å; L402-F490 HydrophobicContact CG-CB 4.31Å; L402-F490 PolarHBondContact N-O 2.79Å; L402-F490 PolarHBondContact O-N 3.41Å; R488-F490 HydrophobicContact CB-CE2 3.7Å; R488-F490 HydrophobicContact CB-CZ 4.16Å |
| 491 | T | 93.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 164.9 | 178.1 | 52.1 | 0 | 0 | 0 | 0 | 110.2 | E355 V401 L489 V493 | E355-T491 PolarHBondContact N-O 3.41Å; E355-T491 PolarHBondContact O-N 2.82Å; E355-T491 VanDerWaalsContact O-N 3.14Å; E355-T491 PolarHBondContact OE2-OG1 3.33Å; V401-T491 HydrophobicContact CG1-CG2 4.3Å; V401-T491 HydrophobicContact CG2-CG2 4.15Å; L489-T491 HydrophobicContact CD2-CG2 4.34Å; L489-T491 HydrophobicContact CG-CG2 4.25Å; T491-V493 VanDerWaalsContact C-N 3.3Å; T491-V493 WeakPolarHBondContact CB-O 3.28Å; T491-V493 PolarHBondContact OG1-O 3.25Å |
| 492 | D | 88.7 | Confident | 95.4 | Very high | 41 Ų | 41 | 40.8 Ų | 40.8 | 22% | 0.219 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -73.5 | -27.6 | 178.8 | -75.5 | 3.9 | 0 | 0 | 0 | 112.4 | K352 K396 D399 | K352-D492 WeakPolarHBondContact CE-OD1 3.47Å; K352-D492 IonicContact NZ-OD1 3.14Å; K352-D492 PolarHBondContact NZ-OD1 3.01Å; K352-D492 IonicContact NZ-OD2 3.28Å; K352-D492 PolarHBondContact NZ-OD2 3.14Å; K396-D492 HydrophobicContact CD-CB 4.3Å; K396-D492 IonicContact NZ-OD2 3.25Å; K396-D492 PolarHBondContact NZ-OD2 2.66Å; D399-D492 VanDerWaalsContact OD1-CB 3.24Å; D399-D492 WeakPolarHBondContact OD1-CB 3.47Å; D399-D492 PolarHBondContact OD2-N 3.32Å |
| 493 | V | 89.6 | Confident | 95.4 | Very high | 41 Ų | 41 | 37 Ų | 37 | 25% | 0.248 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -133.2 | 158.8 | -178.7 | -66.6 | 0 | 0 | 0 | 0 | 110.4 | K395 K396 T491 S495 | K395-V493 HydrophobicContact CB-CG2 4.12Å; K396-V493 HydrophobicContact CG-CG2 4.33Å; T491-V493 VanDerWaalsContact C-N 3.3Å; T491-V493 WeakPolarHBondContact CB-O 3.28Å; T491-V493 PolarHBondContact OG1-O 3.25Å; V493-S495 PolarHBondContact O-N 3.38Å; V493-S495 VanDerWaalsContact O-N 3.12Å |
| 494 | P | 91.6 | Very high | 95.4 | Very high | 71 Ų | 71 | 40.9 Ų | 40.9 | 46% | 0.461 | 20% | 0.196 | S | C | . | . | trans | -54.1 | 118.6 | -178.5 | -28.7 | 35.3 | 0 | 0 | 0 | 114 | E355 K395 | E355-P494 HydrophobicContact CG-CB 4.31Å; E355-P494 HydrophobicContact CG-CG 4.29Å; K395-P494 VanDerWaalsContact CE-O 3.3Å; K395-P494 WeakPolarHBondContact CE-O 3.45Å; K395-P494 PolarHBondContact NZ-O 3.25Å | ||
| 495 | S | 92.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -92.7 | -8.2 | -172 | 59.2 | 0 | 0 | 0 | 0 | 114.7 | E355 D393 L489 V493 L497 | E355-S495 PolarHBondContact OE2-N 3.5Å; E355-S495 PolarHBondContact OE2-OG 2.87Å; D393-S495 PolarHBondContact N-O 3.22Å; D393-S495 WeakPolarHBondContact O-CA 3.28Å; L489-S495 WeakPolarHBondContact CD2-OG 3.29Å; V493-S495 PolarHBondContact O-N 3.38Å; V493-S495 VanDerWaalsContact O-N 3.12Å; S495-L497 PolarHBondContact O-N 2.98Å | ||
| 496 | K | 94.3 | Very high | 94.8 | Very high | 131 Ų | 131 | 44.3 Ų | 44.3 | 57% | 0.57 | 21% | 0.213 | S | C | * | . | trans | 56.4 | 32.6 | -176.2 | -57.7 | -179.2 | 176.6 | 176.5 | 0 | 114.1 | R498 | K496-R498 PolarHBondContact O-N 2.98Š| ||
| 497 | L | 97.4 | Very high | 94.2 | Very high | 13 Ų | 13 | 51.1 Ų | 51.1 | 7% | 0.068 | 25% | 0.246 | C | C | . | . | trans | -50.9 | 126.9 | 176.3 | -177.7 | 67.1 | 0 | 0 | 0 | 111.8 | K357 M359 I391 F392 L489 S495 | K357-L497 HydrophobicContact CB-CB 3.86Å; K357-L497 HydrophobicContact CB-CD2 3.7Å; K357-L497 HydrophobicContact CB-CG 4.38Å; K357-L497 HydrophobicContact CG-CB 4.12Å; M359-L497 HydrophobicContact CG-CD2 3.59Å; M359-L497 HydrophobicContact CG-CG 3.98Å; I391-L497 VanDerWaalsContact O-CA 3.3Å; I391-L497 WeakPolarHBondContact O-CA 3.39Å; F392-L497 HydrophobicContact CB-CB 4.38Å; F392-L497 HydrophobicContact CB-CD1 3.99Å; L489-L497 HydrophobicContact CB-CD2 3.73Å; L489-L497 HydrophobicContact CD2-CB 4.08Å; L489-L497 HydrophobicContact CD2-CD1 4.08Å; L489-L497 HydrophobicContact CD2-CD2 4.22Å; L489-L497 HydrophobicContact CD2-CG 4.36Å; S495-L497 PolarHBondContact O-N 2.98Å | ||
| 498 | R | 97.6 | Very high | 93.5 | Very high | 99 Ų | 99 | 54.7 Ų | 54.7 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 158.3 | 173.7 | 65.1 | -178.7 | -179.8 | 83 | -1 | 111.6 | Y390 I391 K496 | Y390-R498 CarbonylContact C-O 3.52Å; Y390-R498 WeakPolarHBondContact CA-O 3.4Å; I391-R498 HydrophobicContact CG2-CG 3.56Å; I391-R498 PolarHBondContact N-O 3.27Å; I391-R498 PolarHBondContact O-N 3.49Å; K496-R498 PolarHBondContact O-N 2.98Å |
| 499 | E | 98.3 | Very high | 92.6 | Very high | 46 Ų | 46 | 59.1 Ų | 59.1 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 140.5 | 173.2 | -165.2 | -173.4 | 165.7 | 0 | 0 | 111.7 | M359 Q389 Y390 K501 | M359-E499 HydrophobicContact CE-CB 4.47Å; Q389-E499 CarbonylContact O-C 3.57Å; Q389-E499 WeakPolarHBondContact O-CA 3.41Å; Y390-E499 HydrophobicContact CD1-CB 3.98Å; Y390-E499 HydrophobicContact CD1-CG 4.35Å; Y390-E499 HydrophobicContact CE1-CB 3.81Å; Y390-E499 HydrophobicContact CE1-CG 4Å; E499-K501 HydrophobicContact CB-CG 4.29Å; E499-K501 HydrophobicContact CG-CG 4.07Å; E499-K501 PolarHBondContact O-N 3.35Å; E499-K501 WeakPolarHBondContact OE2-CE 3.35Å; E499-K501 IonicContact OE2-NZ 3.73Å |
| 500 | L | 97.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | trans | -87.4 | 98.1 | 166.8 | -64.8 | 176 | 0 | 0 | 0 | 109 | Q389 I391 S436 R438 V471 | Q389-L500 HydrophobicContact CB-CB 4.19Å; Q389-L500 HydrophobicContact CB-CD1 4.31Å; Q389-L500 PolarHBondContact O-N 3.13Å; I391-L500 HydrophobicContact CB-CD1 4.06Å; I391-L500 HydrophobicContact CB-CD2 4.03Å; I391-L500 HydrophobicContact CB-CG 3.93Å; I391-L500 HydrophobicContact CD1-CD1 4.27Å; I391-L500 HydrophobicContact CD1-CD2 4.15Å; I391-L500 HydrophobicContact CG2-CD2 3.76Å; I391-L500 HydrophobicContact CG2-CG 4.08Å; S436-L500 WeakPolarHBondContact O-CD2 3.45Å; R438-L500 VanDerWaalsContact CD-O 3.28Å; R438-L500 WeakPolarHBondContact CD-O 3.41Å; R438-L500 HydrophobicContact CG-CB 3.84Å; R438-L500 WeakPolarHBondContact CG-O 3.26Å; R438-L500 PolarHBondContact NH1-O 2.81Å; V471-L500 HydrophobicContact CG2-CD1 3.87Å | ||
| 501 | K | 95.3 | Very high | 90.9 | Very high | 147 Ų | 147 | 67.9 Ų | 67.9 | 64% | 0.639 | 33% | 0.334 | S | S | * | . | trans | -92.9 | -31.5 | -178.9 | -66.2 | -172.6 | 174.4 | -173.6 | 0 | 114.3 | E499 | E499-K501 HydrophobicContact CB-CG 4.29Å; E499-K501 HydrophobicContact CG-CG 4.07Å; E499-K501 PolarHBondContact O-N 3.35Å; E499-K501 WeakPolarHBondContact OE2-CE 3.35Å; E499-K501 IonicContact OE2-NZ 3.73Å | ||
| 502 | A | 96.4 | Very high | 89.9 | Confident | 31 Ų | 31 | 75.1 Ų | 75.1 | 26% | 0.256 | 37% | 0.372 | S | S | . | . | trans | -95 | 133.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y437 R438 | Y437-A502 WeakPolarHBondContact CA-O 3.47Å; Y437-A502 WeakPolarHBondContact CB-O 3.46Å; Y437-A502 HydrophobicContact CD1-CB 3.93Å; Y437-A502 HydrophobicContact CE1-CB 4.38Å; R438-A502 PolarHBondContact N-O 3.01Å | ||
| 503 | D | 95.6 | Very high | 89.3 | Confident | 29 Ų | 29 | 79.7 Ų | 79.7 | 16% | 0.155 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -78.8 | -28.4 | 178.9 | -54.4 | -77.3 | 0 | 0 | 0 | 113 | R438 H440 V642 | R438-D503 VanDerWaalsContact CD-OD1 3.24Å; R438-D503 WeakPolarHBondContact CD-OD1 3.39Å; R438-D503 IonicContact NE-OD1 3.5Å; R438-D503 PolarHBondContact NE-OD1 2.96Å; H440-D503 IonicContact CE1-OD1 3.26Å; H440-D503 PolarHBondContact CE1-OD1 3.19Å; H440-D503 VanDerWaalsContact CE1-OD1 3.27Å; H440-D503 PolarHBondContact NE2-O 3.22Å; D503-V642 HydrophobicContact CB-CG1 3.88Å |
| 504 | K | 94.4 | Very high | 88.8 | Confident | 92 Ų | 92 | 81.5 Ų | 81.5 | 40% | 0.4 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -155.9 | 168.4 | -178.4 | 62 | -179.8 | 171.8 | -170.1 | 0 | 111.3 | Y437 K506 Y573 L641 V642 | Y437-K504 VanDerWaalsContact CD1-C 3.47Å; Y437-K504 VanDerWaalsContact CE1-C 3.45Å; Y437-K504 WeakPolarHBondContact CE1-O 3.46Å; K504-K506 PolarHBondContact O-N 3.38Å; K504-Y573 HydrophobicContact CB-CE1 4.25Å; K504-L641 HydrophobicContact CB-CB 4.14Å; K504-L641 HydrophobicContact CD-CB 3.97Å; K504-L641 HydrophobicContact CD-CD1 4.23Å; K504-V642 HydrophobicContact CB-CG1 4.25Å; K504-V642 HydrophobicContact CD-CG1 4.04Å; K504-V642 HydrophobicContact CG-CG1 4.31Å |
| 505 | P | 93.6 | Very high | 88.6 | Confident | 17 Ų | 17 | 79.7 Ų | 79.7 | 11% | 0.11 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -51.7 | 132.1 | 172.6 | -26.3 | 32.3 | 0 | 0 | 0 | 112.1 | Y437 Y516 P517 Y573 | Y437-P505 HydrophobicContact CE1-CG 4.33Å; Y437-P505 HydrophobicContact CE2-CG 3.68Å; Y437-P505 WeakPolarHBondContact OH-CA 3.19Å; Y437-P505 WeakPolarHBondContact OH-CG 3.39Å; P505-Y516 HydrophobicContact CB-CE2 4.46Å; P505-Y516 WeakPolarHBondContact O-CE2 3.48Å; P505-Y516 PolarHBondContact O-OH 3.07Å; P505-P517 HydrophobicContact CB-CG 4.35Å; P505-P517 HydrophobicContact CG-CG 4.18Å; P505-Y573 HydrophobicContact CG-CD1 3.55Å; P505-Y573 HydrophobicContact CG-CD2 4.31Å; P505-Y573 HydrophobicContact CG-CE1 4.1Å; P505-Y573 HydrophobicContact CG-CG 3.64Å |
| 506 | K | 89.1 | Confident | 88.5 | Confident | 168 Ų | 168 | 82.5 Ų | 82.5 | 73% | 0.73 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 138.7 | 176.6 | -68.4 | -171.5 | 177.9 | -173.6 | 0 | 110.2 | K504 | K504-K506 PolarHBondContact O-N 3.38Š|
| 507 | M | 86.1 | Confident | 88.5 | Confident | 144 Ų | 144 | 76.8 Ų | 76.8 | 71% | 0.709 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 130.3 | 168.7 | -160.5 | 159.7 | 71 | 0 | 0 | 108.5 | Y516 | M507-Y516 HydrophobicContact CB-CD2 4.33Å; M507-Y516 HydrophobicContact CB-CE2 4.16Å; M507-Y516 HydrophobicContact CG-CD2 4.23Å |
| 508 | T | 83.6 | Confident | 88.3 | Confident | 74 Ų | 74 | 84 Ų | 84 | 45% | 0.454 | 42% | 0.417 | S | S | . | . | trans | -127.7 | 167.9 | 179.4 | 60.8 | 0 | 0 | 0 | 0 | 109.4 | W510 S511 | T508-W510 PolarHBondContact O-N 3.14Å; T508-S511 PolarHBondContact N-OG 3.19Å; T508-S511 WeakPolarHBondContact O-CA 3.05Å; T508-S511 WeakPolarHBondContact O-CB 3.48Å; T508-S511 PolarHBondContact O-N 3.23Å; T508-S511 PolarHBondContact O-OG 3.46Å; T508-S511 PolarHBondContact OG1-OG 2.99Å | ||
| 509 | C | 78.3 | Confident | 88.2 | Confident | 93 Ų | 93 | 80.4 Ų | 80.4 | 63% | 0.628 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -56.1 | -34.4 | 174.1 | 52.4 | 0 | 0 | 0 | 0 | 112.5 | S511 L512 | C509-S511 PolarHBondContact O-N 3.34Å; C509-L512 WeakPolarHBondContact O-CB 3.5Å; C509-L512 PolarHBondContact O-N 3Å |
| 510 | W | 75 | Confident | 88.1 | Confident | 169 Ų | 169 | 78.2 Ų | 78.2 | 64% | 0.64 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -66.8 | -21.3 | 173.4 | -65.8 | 103.4 | 0 | 0 | 0 | 114 | T508 L512 L513 C514 | T508-W510 PolarHBondContact O-N 3.14Å; W510-L512 PolarHBondContact O-N 3.48Å; W510-L513 HydrophobicContact CE3-CD1 4.05Å; W510-L513 HydrophobicContact CZ3-CD1 4.15Å; W510-L513 PolarHBondContact O-N 3.09Å; W510-C514 WeakPolarHBondContact O-CB 3.48Å; W510-C514 PolarHBondContact O-N 3.08Å |
| 511 | S | 80.8 | Confident | 88 | Confident | 18 Ų | 18 | 78.2 Ų | 78.2 | 13% | 0.126 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.1 | -25 | 175.2 | -54.3 | 0 | 0 | 0 | 0 | 112.3 | T508 C509 G515 | T508-S511 PolarHBondContact N-OG 3.19Å; T508-S511 WeakPolarHBondContact O-CA 3.05Å; T508-S511 WeakPolarHBondContact O-CB 3.48Å; T508-S511 PolarHBondContact O-N 3.23Å; T508-S511 PolarHBondContact O-OG 3.46Å; T508-S511 PolarHBondContact OG1-OG 2.99Å; C509-S511 PolarHBondContact O-N 3.34Å; S511-G515 CarbonylContact O-C 3.17Å; S511-G515 WeakPolarHBondContact O-CA 3.12Å; S511-G515 PolarHBondContact O-N 3.21Å; S511-G515 VanDerWaalsContact O-N 3.09Å |
| 512 | L | 72.3 | Confident | 88 | Confident | 153 Ų | 153 | 71.2 Ų | 71.2 | 80% | 0.801 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -72.1 | -34.4 | 174.7 | -65.9 | 164.4 | 0 | 0 | 0 | 111.8 | C509 W510 | C509-L512 WeakPolarHBondContact O-CB 3.5Å; C509-L512 PolarHBondContact O-N 3Å; W510-L512 PolarHBondContact O-N 3.48Å |
| 513 | L | 76.4 | Confident | 88 | Confident | 136 Ų | 136 | 69.7 Ų | 69.7 | 71% | 0.712 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -87.2 | -38.4 | -178.6 | -67.6 | 169.3 | 0 | 0 | 0 | 112.8 | W510 | W510-L513 HydrophobicContact CE3-CD1 4.05Å; W510-L513 HydrophobicContact CZ3-CD1 4.15Å; W510-L513 PolarHBondContact O-N 3.09Å |
| 514 | C | 79.3 | Confident | 88 | Confident | 79 Ų | 79 | 69.8 Ų | 69.8 | 53% | 0.534 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -110.4 | 11.6 | -172.2 | -56.7 | 0 | 0 | 0 | 0 | 113.3 | W510 K575 | W510-C514 WeakPolarHBondContact O-CB 3.48Å; W510-C514 PolarHBondContact O-N 3.08Å; C514-K575 WeakPolarHBondContact O-CD 3.33Å; C514-K575 PolarHBondContact O-NZ 3.43Å |
| 515 | G | 85.6 | Confident | 88 | Confident | 33 Ų | 33 | 65.4 Ų | 65.4 | 34% | 0.34 | 33% | 0.33 | S | S | . | . | trans | 73.3 | 158.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S511 K575 | S511-G515 CarbonylContact O-C 3.17Å; S511-G515 WeakPolarHBondContact O-CA 3.12Å; S511-G515 PolarHBondContact O-N 3.21Å; S511-G515 VanDerWaalsContact O-N 3.09Å; G515-K575 WeakPolarHBondContact O-CE 3.23Å; G515-K575 PolarHBondContact O-NZ 3.38Å | ||
| 516 | Y | 91.8 | Very high | 88 | Confident | 59 Ų | 59 | 66.7 Ų | 66.7 | 23% | 0.231 | 34% | 0.335 | C | S | . | . | trans | -109.6 | 146.5 | 174.8 | -173.8 | -104.9 | 0 | 0 | 0 | 110.5 | P505 M507 R518 L641 | P505-Y516 HydrophobicContact CB-CE2 4.46Å; P505-Y516 WeakPolarHBondContact O-CE2 3.48Å; P505-Y516 PolarHBondContact O-OH 3.07Å; M507-Y516 HydrophobicContact CB-CD2 4.33Å; M507-Y516 HydrophobicContact CB-CE2 4.16Å; M507-Y516 HydrophobicContact CG-CD2 4.23Å; Y516-R518 PolarHBondContact O-N 3.44Å; Y516-L641 HydrophobicContact CD1-CD1 4.48Å; Y516-L641 HydrophobicContact CE1-CD1 3.56Å | ||
| 517 | P | 93.6 | Very high | 88.3 | Confident | 12 Ų | 12 | 59.3 Ų | 59.3 | 8% | 0.078 | 30% | 0.304 | C | S | . | . | trans | -55.7 | 139.6 | 175.7 | -28.3 | 38.2 | 0 | 0 | 0 | 112.4 | P505 R574 K575 L641 | P505-P517 HydrophobicContact CB-CG 4.35Å; P505-P517 HydrophobicContact CG-CG 4.18Å; P517-R574 CarbonylContact C-O 3.55Å; P517-R574 VanDerWaalsContact CA-O 3.3Å; P517-R574 WeakPolarHBondContact CA-O 3.5Å; P517-K575 HydrophobicContact CG-CG 4.25Å; P517-L641 HydrophobicContact CB-CD1 4.13Å; P517-L641 HydrophobicContact CB-CD2 4.35Å; P517-L641 WeakPolarHBondContact O-CD1 3.06Å | ||
| 518 | R | 94.2 | Very high | 88.8 | Confident | 164 Ų | 164 | 52.4 Ų | 52.4 | 62% | 0.619 | 27% | 0.27 | S | S | * | . | trans | -119.8 | -14.1 | -179.9 | -63.5 | 178.3 | 64.6 | -169.5 | -0.3 | 112.9 | Y516 R574 I577 | Y516-R518 PolarHBondContact O-N 3.44Å; R518-R574 PolarHBondContact N-O 3.02Å; R518-I577 HydrophobicContact CB-CG2 4.23Å | ||
| 519 | R | 95.1 | Very high | 89.3 | Confident | 24 Ų | 24 | 53.5 Ų | 53.5 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 138.4 | -178.9 | -179.5 | 168.3 | -66.1 | 166.7 | 4.1 | 110.2 | Y573 R574 I577 S638 D639 | R519-Y573 CarbonylContact O-C 3.58Å; R519-R574 HydrophobicContact CB-CB 4.39Å; R519-R574 PolarHBondContact N-O 2.74Å; R519-R574 PolarHBondContact O-N 3.17Å; R519-I577 HydrophobicContact CB-CG2 4.05Å; R519-S638 CarbonylContact C-O 3.52Å; R519-S638 VanDerWaalsContact CA-O 3.31Å; R519-S638 WeakPolarHBondContact CA-O 3.48Å; R519-S638 WeakPolarHBondContact CG-O 3.26Å; R519-D639 IonicContact CZ-OD1 2.8Å; R519-D639 VanDerWaalsContact CZ-OD1 3.24Å; R519-D639 IonicContact NE-OD1 3.75Å; R519-D639 PolarHBondContact NE-OD1 2.84Å; R519-D639 IonicContact NH2-OD1 3.88Å; R519-D639 PolarHBondContact NH2-OD1 2.85Å; R519-D639 IonicContact NH2-OD2 3.19Å; R519-D639 PolarHBondContact NH2-OD2 2.98Å |
| 520 | V | 95.9 | Very high | 90 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 132.5 | 167 | 59.5 | 0 | 0 | 0 | 0 | 108.4 | I571 F572 Y573 S637 S638 D640 L641 L644 | V520-I571 HydrophobicContact CG2-CD1 3.72Å; V520-I571 HydrophobicContact CG2-CG1 3.75Å; V520-F572 CarbonylContact C-O 3.55Å; V520-F572 WeakPolarHBondContact CA-O 3.41Å; V520-Y573 HydrophobicContact CB-CD1 4.34Å; V520-Y573 HydrophobicContact CB-CE1 4.29Å; V520-Y573 HydrophobicContact CG2-CD1 4.37Å; V520-Y573 HydrophobicContact CG2-CD2 4.5Å; V520-Y573 HydrophobicContact CG2-CE1 4.1Å; V520-Y573 HydrophobicContact CG2-CE2 4.19Å; V520-S637 CarbonylContact O-C 3.51Å; V520-S637 VanDerWaalsContact O-CA 3.27Å; V520-S637 WeakPolarHBondContact O-CA 3.48Å; V520-S638 PolarHBondContact N-O 2.81Å; V520-S638 PolarHBondContact O-N 3.27Å; V520-D640 VanDerWaalsContact CG1-O 3.32Å; V520-D640 WeakPolarHBondContact CG1-O 3.49Å; V520-L641 HydrophobicContact CB-CD2 4.27Å; V520-L644 HydrophobicContact CG1-CB 4.05Å; V520-L644 HydrophobicContact CG1-CD1 3.9Å; V520-L644 HydrophobicContact CG1-CG 3.93Å; V520-L644 HydrophobicContact CG2-CB 4.15Å; V520-L644 HydrophobicContact CG2-CD1 4.32Å |
| 521 | T | 95.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 123.9 | 177.2 | -61.3 | 0 | 0 | 0 | 0 | 110.2 | I571 F572 R574 I581 A603 V635 F636 S637 | T521-I571 CarbonylContact O-C 3.47Å; T521-I571 WeakPolarHBondContact O-CA 3.23Å; T521-F572 PolarHBondContact N-O 3.19Å; T521-F572 PolarHBondContact O-N 2.78Å; T521-R574 WeakPolarHBondContact OG1-CD 3.5Å; T521-R574 PolarHBondContact OG1-NH1 3.15Å; T521-I581 HydrophobicContact CG2-CD1 3.3Å; T521-A603 HydrophobicContact CG2-CB 3.75Å; T521-V635 HydrophobicContact CG2-CG1 3.83Å; T521-F636 CarbonylContact C-O 3.57Å; T521-F636 VanDerWaalsContact CA-O 3.25Å; T521-F636 WeakPolarHBondContact CA-O 3.41Å; T521-S637 WeakPolarHBondContact CB-OG 3.44Å; T521-S637 VanDerWaalsContact CG2-OG 3.25Å; T521-S637 WeakPolarHBondContact CG2-OG 3.41Å; T521-S637 PolarHBondContact OG1-OG 3.11Å |
| 522 | Q | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 141.7 | 166.6 | -71.8 | 171.3 | -35.8 | 0 | 0 | 110.3 | E432 T443 V444 Q445 A570 I571 V635 F636 L644 | E432-Q522 VanDerWaalsContact OE1-CD 3.31Å; E432-Q522 VanDerWaalsContact OE1-CG 3.31Å; E432-Q522 WeakPolarHBondContact OE1-CG 3.26Å; E432-Q522 PolarHBondContact OE1-NE2 2.94Å; T443-Q522 PolarHBondContact OG1-OE1 2.97Å; V444-Q522 HydrophobicContact CG2-CB 4.5Å; Q445-Q522 VanDerWaalsContact NE2-NE2 3.11Å; Q522-A570 CarbonylContact C-O 3.5Å; Q522-A570 WeakPolarHBondContact CA-O 3.29Å; Q522-I571 HydrophobicContact CG-CB 4.24Å; Q522-I571 HydrophobicContact CG-CD1 3.94Å; Q522-I571 HydrophobicContact CG-CG1 3.98Å; Q522-V635 WeakPolarHBondContact O-CA 3.37Å; Q522-F636 HydrophobicContact CB-CB 4.36Å; Q522-F636 PolarHBondContact N-O 3.31Å; Q522-F636 PolarHBondContact O-N 3.22Å; Q522-L644 HydrophobicContact CB-CD1 4.38Å; Q522-L644 HydrophobicContact CG-CB 4.15Å; Q522-L644 HydrophobicContact CG-CD1 4.02Å; Q522-L644 PolarHBondContact NE2-OXT 3.21Å |
| 523 | I | 95.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 132.3 | 174.4 | -178.2 | 170.3 | 0 | 0 | 0 | 110 | I525 I546 Q569 A570 F572 I581 V583 L601 K634 V635 | I523-I525 HydrophobicContact CD1-CD1 3.69Å; I523-I525 HydrophobicContact CG1-CD1 3.81Å; I523-I546 HydrophobicContact CD1-CG2 4.42Å; I523-I546 HydrophobicContact CG2-CD1 4.14Å; I523-I546 HydrophobicContact CG2-CG2 3.96Å; I523-Q569 CarbonylContact O-C 3.39Å; I523-Q569 VanDerWaalsContact O-CA 3.3Å; I523-Q569 WeakPolarHBondContact O-CA 3.33Å; I523-A570 HydrophobicContact CG2-CB 3.81Å; I523-A570 PolarHBondContact N-O 3.29Å; I523-A570 PolarHBondContact O-N 3.13Å; I523-F572 HydrophobicContact CG2-CD2 4.48Å; I523-F572 HydrophobicContact CG2-CE2 3.99Å; I523-I581 HydrophobicContact CD1-CG2 4.28Å; I523-V583 HydrophobicContact CD1-CG2 3.6Å; I523-L601 HydrophobicContact CD1-CD1 3.37Å; I523-K634 CarbonylContact C-O 3.59Å; I523-K634 WeakPolarHBondContact CA-O 3.44Å; I523-V635 HydrophobicContact CD1-CG2 4.28Å; I523-V635 HydrophobicContact CG1-CG2 4.16Å |
| 524 | K | 95.2 | Very high | 92.1 | Very high | 30 Ų | 30 | 42.5 Ų | 42.5 | 13% | 0.13 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 127.3 | 168.6 | -180 | 166.5 | -172.4 | 166.1 | 0 | 108.8 | V444 D567 Q569 V633 K634 | V444-K524 HydrophobicContact CB-CB 4.28Å; V444-K524 HydrophobicContact CB-CD 4.38Å; V444-K524 HydrophobicContact CG1-CB 4.23Å; K524-D567 IonicContact NZ-OD1 2.89Å; K524-Q569 HydrophobicContact CB-CG 4.18Å; K524-Q569 HydrophobicContact CD-CG 4.15Å; K524-Q569 HydrophobicContact CG-CG 3.94Å; K524-V633 CarbonylContact O-C 3.59Å; K524-V633 WeakPolarHBondContact O-CA 3.45Å; K524-K634 HydrophobicContact CB-CB 4.45Å; K524-K634 PolarHBondContact N-O 2.97Å; K524-K634 PolarHBondContact O-N 2.85Å |
| 525 | I | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 126.3 | 172.3 | -48.3 | -59.2 | 0 | 0 | 0 | 107.2 | I523 V544 I546 F566 T568 V583 I631 V633 | I523-I525 HydrophobicContact CD1-CD1 3.69Å; I523-I525 HydrophobicContact CG1-CD1 3.81Å; I525-V544 HydrophobicContact CG1-CG1 4.17Å; I525-V544 HydrophobicContact CG2-CG1 4.46Å; I525-V544 HydrophobicContact CG2-CG2 4.26Å; I525-I546 HydrophobicContact CD1-CD1 4.04Å; I525-I546 HydrophobicContact CD1-CG1 4.36Å; I525-I546 HydrophobicContact CG1-CD1 3.59Å; I525-I546 HydrophobicContact CG1-CG1 4.14Å; I525-F566 HydrophobicContact CB-CB 4.24Å; I525-F566 HydrophobicContact CG2-CB 4.02Å; I525-F566 HydrophobicContact CG2-CD2 3.95Å; I525-F566 HydrophobicContact CG2-CG 4.28Å; I525-F566 CarbonylContact O-C 3.59Å; I525-T568 PolarHBondContact N-O 3.42Å; I525-V583 HydrophobicContact CD1-CG1 3.73Å; I525-V583 HydrophobicContact CD1-CG2 4.11Å; I525-I631 HydrophobicContact CG2-CD1 3.98Å; I525-I631 HydrophobicContact CG2-CG1 4.14Å; I525-V633 HydrophobicContact CD1-CB 4.26Å; I525-V633 HydrophobicContact CD1-CG1 3.49Å; I525-V633 VanDerWaalsContact CD1-CG1 3.49Å |
| 526 | H | 93.4 | Very high | 91 | Very high | 45 Ų | 45 | 53.3 Ų | 53.3 | 21% | 0.208 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | -55.7 | -178 | -73.8 | -93.2 | 0 | 0 | 0 | 111.9 | V565 F566 T632 | H526-V565 WeakPolarHBondContact O-CA 3.41Å; H526-V565 WeakPolarHBondContact O-CG1 3.47Å; H526-F566 PolarHBondContact O-N 3.01Å; H526-F566 VanDerWaalsContact O-O 3.08Å; H526-T632 HydrophobicContact CB-CG2 4.27Å; H526-T632 PolarHBondContact N-O 3.44Å |
| 527 | S | 95.6 | Very high | 89.8 | Confident | 12 Ų | 12 | 55.1 Ų | 55.1 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 159.9 | -177.9 | 63.2 | 0 | 0 | 0 | 0 | 111.7 | E529 A564 I631 T632 | S527-E529 PolarHBondContact OG-OE1 2.98Å; S527-A564 CarbonylContact C-O 3.53Å; S527-A564 WeakPolarHBondContact CA-O 3.49Å; S527-A564 WeakPolarHBondContact CB-O 3.45Å; S527-I631 WeakPolarHBondContact O-CA 3.31Å; S527-I631 WeakPolarHBondContact O-CG1 3.2Å; S527-T632 PolarHBondContact N-O 3.17Å; S527-T632 PolarHBondContact O-N 2.78Å; S527-T632 PolarHBondContact OG-OG1 2.99Å |
| 528 | A | 95.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 130.6 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | L531 S563 A564 F566 V585 R630 I631 | A528-L531 HydrophobicContact CB-CD1 4.21Å; A528-L531 HydrophobicContact CB-CD2 4.12Å; A528-L531 HydrophobicContact CB-CG 4.4Å; A528-S563 CarbonylContact O-C 3.43Å; A528-S563 WeakPolarHBondContact O-CA 3.26Å; A528-A564 PolarHBondContact N-O 3.23Å; A528-A564 PolarHBondContact O-N 2.9Å; A528-F566 HydrophobicContact CB-CE2 3.77Å; A528-V585 HydrophobicContact CB-CG2 4.41Å; A528-R630 CarbonylContact C-O 3.54Å; A528-R630 WeakPolarHBondContact CA-O 3.2Å; A528-I631 HydrophobicContact CB-CG1 4.39Å |
| 529 | E | 95.4 | Very high | 87.9 | Confident | 97 Ų | 97 | 47.8 Ų | 47.8 | 45% | 0.453 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 149.9 | -168 | -69.9 | 163.8 | -142.8 | 0 | 0 | 110.9 | S527 L531 G629 R630 | S527-E529 PolarHBondContact OG-OE1 2.98Å; E529-L531 VanDerWaalsContact C-N 3.29Å; E529-L531 PolarHBondContact O-N 3.32Å; E529-G629 CarbonylContact O-C 3.49Å; E529-G629 WeakPolarHBondContact O-CA 3.33Å; E529-R630 PolarHBondContact N-O 2.99Å; E529-R630 PolarHBondContact O-N 3.21Å |
| 530 | G | 93.1 | Very high | 87.5 | Confident | 47 Ų | 47 | 46.9 Ų | 46.9 | 49% | 0.485 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 68.5 | 28.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T562 P628 G629 | G530-T562 PolarHBondContact N-O 2.84Å; G530-P628 CarbonylContact O-C 3.58Å; G530-G629 WeakPolarHBondContact O-CA 3.26Å; G530-G629 PolarHBondContact O-N 3.27Å; G530-G629 VanDerWaalsContact O-N 3.1Å |
| 531 | L | 92.6 | Very high | 87.4 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 4% | 0.037 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 150.3 | 179.8 | -61.4 | 175.9 | 0 | 0 | 0 | 111.6 | A528 E529 K533 P542 T562 V585 L596 L616 | A528-L531 HydrophobicContact CB-CD1 4.21Å; A528-L531 HydrophobicContact CB-CD2 4.12Å; A528-L531 HydrophobicContact CB-CG 4.4Å; E529-L531 VanDerWaalsContact C-N 3.29Å; E529-L531 PolarHBondContact O-N 3.32Å; L531-K533 PolarHBondContact O-N 3.25Å; L531-P542 HydrophobicContact CD1-CB 3.54Å; L531-P542 HydrophobicContact CD1-CG 3.82Å; L531-T562 WeakPolarHBondContact CB-O 3.3Å; L531-T562 WeakPolarHBondContact CG-O 3.41Å; L531-T562 PolarHBondContact N-O 3.31Å; L531-T562 WeakPolarHBondContact O-CG2 3.34Å; L531-V585 HydrophobicContact CD1-CG1 4.12Å; L531-V585 HydrophobicContact CD2-CG1 3.98Å; L531-L596 HydrophobicContact CB-CD1 4.46Å; L531-L596 HydrophobicContact CD1-CD1 4.3Å; L531-L616 HydrophobicContact CD2-CD1 3.66Å |
| 532 | Q | 88.8 | Confident | 87.4 | Confident | 97 Ų | 97 | 49.6 Ų | 49.6 | 45% | 0.453 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 126.6 | 176.5 | -171.4 | 178.9 | 19.4 | 0 | 0 | 110.8 | Q534 P628 | Q532-Q534 PolarHBondContact O-NE2 3.39Å; Q532-P628 HydrophobicContact CB-CB 4.18Å; Q532-P628 HydrophobicContact CB-CG 4.33Å |
| 533 | K | 84.9 | Confident | 87.4 | Confident | 136 Ų | 136 | 50.1 Ų | 50.1 | 59% | 0.591 | 26% | 0.256 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 138.4 | 174.3 | -58.6 | -177 | 167.6 | -171.9 | 0 | 110.9 | L531 G538 T562 | L531-K533 PolarHBondContact O-N 3.25Å; K533-G538 WeakPolarHBondContact CD-O 3.36Å; K533-G538 WeakPolarHBondContact CE-O 3.41Å; K533-G538 VanDerWaalsContact CG-O 3.26Å; K533-G538 WeakPolarHBondContact CG-O 3.25Å; K533-T562 HydrophobicContact CG-CG2 3.95Å |
| 534 | Q | 82.6 | Confident | 87.5 | Confident | 51 Ų | 51 | 50.1 Ų | 50.1 | 24% | 0.238 | 26% | 0.256 | C | S | . | . | trans | -117.8 | -28.1 | -175.5 | -60.4 | -53.9 | -38.6 | 0 | 0 | 113.9 | Q532 G539 A540 N587 L596 | Q532-Q534 PolarHBondContact O-NE2 3.39Å; Q534-G539 PolarHBondContact N-O 2.77Å; Q534-A540 HydrophobicContact CG-CB 4.17Å; Q534-N587 HydrophobicContact CG-CB 4.07Å; Q534-L596 HydrophobicContact CG-CD2 4.17Å | ||
| 535 | D | 73.3 | Confident | 87.6 | Confident | 70 Ų | 70 | 49.7 Ų | 49.7 | 37% | 0.374 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -107.2 | 174.1 | -179.7 | 70.3 | 12.7 | 0 | 0 | 0 | 113.1 | S537 G538 G539 | D535-S537 VanDerWaalsContact C-N 3.27Å; D535-S537 PolarHBondContact O-N 2.94Å; D535-S537 PolarHBondContact OD1-N 2.94Å; D535-S537 PolarHBondContact OD1-OG 2.73Å; D535-S537 VanDerWaalsContact OD1-OG 3.09Å; D535-S537 PolarHBondContact OD2-OG 3.5Å; D535-G538 PolarHBondContact O-N 3.33Å; D535-G538 PolarHBondContact OD1-N 2.96Å; D535-G539 PolarHBondContact N-O 2.8Å; D535-G539 PolarHBondContact OD1-N 2.99Å |
| 536 | R | 68.1 | Low | 87.7 | Confident | 268 Ų | 268 | 49.7 Ų | 49.7 | 100% | 1.011 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -21.7 | 178.3 | -66.9 | -176.6 | 179.8 | -177.3 | -0.1 | 112.9 | G538 | R536-G538 VanDerWaalsContact C-N 3.27Š|
| 537 | S | 65.4 | Low | 87.8 | Confident | 97 Ų | 97 | 50.6 Ų | 50.6 | 68% | 0.678 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -18.7 | 173.5 | 7.7 | 0 | 0 | 0 | 0 | 112.4 | D535 | D535-S537 VanDerWaalsContact C-N 3.27Å; D535-S537 PolarHBondContact O-N 2.94Å; D535-S537 PolarHBondContact OD1-N 2.94Å; D535-S537 PolarHBondContact OD1-OG 2.73Å; D535-S537 VanDerWaalsContact OD1-OG 3.09Å; D535-S537 PolarHBondContact OD2-OG 3.5Å |
| 538 | G | 67.8 | Low | 87.8 | Confident | 19 Ų | 19 | 50.2 Ų | 50.2 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 87.6 | 17.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | K533 D535 R536 | K533-G538 WeakPolarHBondContact CD-O 3.36Å; K533-G538 WeakPolarHBondContact CE-O 3.41Å; K533-G538 VanDerWaalsContact CG-O 3.26Å; K533-G538 WeakPolarHBondContact CG-O 3.25Å; D535-G538 PolarHBondContact O-N 3.33Å; D535-G538 PolarHBondContact OD1-N 2.96Å; R536-G538 VanDerWaalsContact C-N 3.27Å |
| 539 | G | 80.2 | Confident | 87.6 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | trans | -100.6 | 179.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q534 D535 D560 | Q534-G539 PolarHBondContact N-O 2.77Å; D535-G539 PolarHBondContact N-O 2.8Å; D535-G539 PolarHBondContact OD1-N 2.99Å; G539-D560 WeakPolarHBondContact CA-OD1 3.48Å | ||
| 540 | A | 87.7 | Confident | 87.3 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 3% | 0.033 | 29% | 0.293 | C | S | . | . | trans | -151.9 | 157.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q534 P542 D560 T561 N587 | Q534-A540 HydrophobicContact CG-CB 4.17Å; A540-P542 WeakPolarHBondContact O-CD 3.17Å; A540-D560 CarbonylContact O-C 3.16Å; A540-D560 WeakPolarHBondContact O-CA 3.3Å; A540-D560 PolarHBondContact O-N 2.9Å; A540-T561 PolarHBondContact O-N 3.44Å; A540-N587 WeakPolarHBondContact CA-OD1 3.39Å; A540-N587 WeakPolarHBondContact CB-OD1 3.29Å | ||
| 541 | D | 93.5 | Very high | 87.3 | Confident | 58 Ų | 58 | 59.3 Ų | 59.3 | 31% | 0.31 | 29% | 0.291 | S | S | . | . | trans | -110 | 69 | 176 | -69.4 | -31.2 | 0 | 0 | 0 | 111.1 | V557 Q558 Q559 D560 N587 S588 | D541-V557 HydrophobicContact CB-CG1 3.83Å; D541-Q558 CarbonylContact C-O 3.54Å; D541-Q558 VanDerWaalsContact C-O 3.26Å; D541-Q558 WeakPolarHBondContact CA-O 3.43Å; D541-Q559 VanDerWaalsContact OD1-CA 3.31Å; D541-Q559 WeakPolarHBondContact OD1-CA 3.35Å; D541-D560 PolarHBondContact OD1-N 2.64Å; D541-N587 PolarHBondContact N-OD1 3.34Å; D541-S588 PolarHBondContact O-N 3.31Å | ||
| 542 | P | 95 | Very high | 87.5 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 143.2 | -168.6 | 31.4 | -38.9 | 0 | 0 | 0 | 113.7 | L531 A540 Q558 T561 A564 F566 V585 W586 L596 | L531-P542 HydrophobicContact CD1-CB 3.54Å; L531-P542 HydrophobicContact CD1-CG 3.82Å; A540-P542 WeakPolarHBondContact O-CD 3.17Å; P542-Q558 VanDerWaalsContact CD-O 3.25Å; P542-Q558 WeakPolarHBondContact CD-O 3.22Å; P542-Q558 HydrophobicContact CG-CB 4.28Å; P542-Q558 PolarHBondContact O-N 2.91Å; P542-T561 VanDerWaalsContact CD-O 3.27Å; P542-T561 WeakPolarHBondContact CD-O 3.36Å; P542-T561 HydrophobicContact CG-CG2 4.11Å; P542-A564 HydrophobicContact CB-CB 4.39Å; P542-A564 HydrophobicContact CG-CB 3.5Å; P542-A564 VanDerWaalsContact CG-CB 3.5Å; P542-F566 HydrophobicContact CB-CZ 4.27Å; P542-F566 HydrophobicContact CG-CZ 4.5Å; P542-V585 HydrophobicContact CB-CG1 4.31Å; P542-W586 CarbonylContact C-O 3.56Å; P542-W586 WeakPolarHBondContact CA-O 3.44Å; P542-L596 HydrophobicContact CB-CD1 4.49Å |
| 543 | Y | 96.2 | Very high | 87.8 | Confident | 11 Ų | 11 | 62.5 Ų | 62.5 | 4% | 0.043 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 159.4 | 164.5 | 72.5 | -91.8 | 0 | 0 | 0 | 111 | L545 R554 V557 W586 D593 | Y543-L545 HydrophobicContact CE2-CB 4.46Å; Y543-R554 HydrophobicContact CD2-CG 3.76Å; Y543-R554 HydrophobicContact CE2-CG 4.04Å; Y543-V557 HydrophobicContact CD1-CG2 4.21Å; Y543-V557 HydrophobicContact CG-CG2 4.46Å; Y543-W586 HydrophobicContact CD1-CB 3.94Å; Y543-W586 HydrophobicContact CD2-CB 4.2Å; Y543-W586 HydrophobicContact CE1-CB 3.42Å; Y543-W586 VanDerWaalsContact CE1-CB 3.42Å; Y543-W586 HydrophobicContact CE1-CG 4.37Å; Y543-W586 HydrophobicContact CE2-CB 3.69Å; Y543-W586 AromaticContact CE2-CG 3.98Å; Y543-W586 HydrophobicContact CE2-CG 3.98Å; Y543-W586 HydrophobicContact CG-CB 4.32Å; Y543-W586 AromaticContact CZ-CG 3.77Å; Y543-W586 PolarHBondContact N-O 3.25Å; Y543-W586 PolarHBondContact O-N 3.1Å; Y543-D593 HydrophobicContact CE1-CB 4.23Å; Y543-D593 WeakPolarHBondContact CE1-OD2 3.48Å; Y543-D593 VanDerWaalsContact CZ-OD2 3.26Å; Y543-D593 PolarHBondContact OH-OD2 3.48Å |
| 544 | V | 97.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 138.9 | -179.5 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | I525 I546 R554 S555 F566 V583 Q584 V585 I631 | I525-V544 HydrophobicContact CG1-CG1 4.17Å; I525-V544 HydrophobicContact CG2-CG1 4.46Å; I525-V544 HydrophobicContact CG2-CG2 4.26Å; V544-I546 HydrophobicContact CG1-CG1 3.99Å; V544-R554 CarbonylContact O-C 3.38Å; V544-R554 WeakPolarHBondContact O-CA 3.2Å; V544-S555 PolarHBondContact N-OG 2.91Å; V544-S555 PolarHBondContact O-N 3.03Å; V544-F566 HydrophobicContact CG2-CD1 4.05Å; V544-F566 HydrophobicContact CG2-CD2 3.67Å; V544-F566 HydrophobicContact CG2-CE1 3.89Å; V544-F566 HydrophobicContact CG2-CE2 3.48Å; V544-F566 VanDerWaalsContact CG2-CE2 3.48Å; V544-F566 HydrophobicContact CG2-CG 3.95Å; V544-F566 HydrophobicContact CG2-CZ 3.6Å; V544-V583 HydrophobicContact CG1-CG1 3.5Å; V544-V583 VanDerWaalsContact CG1-CG1 3.5Å; V544-Q584 CarbonylContact C-O 3.58Å; V544-Q584 VanDerWaalsContact CA-O 3.32Å; V544-Q584 WeakPolarHBondContact CA-O 3.37Å; V544-V585 HydrophobicContact CG2-CG2 4.42Å; V544-I631 HydrophobicContact CG2-CD1 4.38Å |
| 545 | L | 97 | Very high | 88.9 | Confident | 21 Ų | 21 | 59.8 Ų | 59.8 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 107.6 | 174.1 | -175.7 | 63.2 | 0 | 0 | 0 | 109.2 | Y543 K547 K552 V553 R554 Q584 | Y543-L545 HydrophobicContact CE2-CB 4.46Å; L545-K547 HydrophobicContact CD2-CD 4.49Å; L545-K547 HydrophobicContact CG-CG 4.2Å; L545-K552 HydrophobicContact CD1-CB 4.12Å; L545-V553 CarbonylContact C-O 3.59Å; L545-V553 WeakPolarHBondContact CA-O 3.19Å; L545-R554 HydrophobicContact CD1-CB 4Å; L545-R554 HydrophobicContact CD1-CG 4.48Å; L545-Q584 HydrophobicContact CB-CB 4.4Å; L545-Q584 PolarHBondContact N-O 2.81Å; L545-Q584 PolarHBondContact O-N 2.82Å |
| 546 | I | 97.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 119.8 | 178.4 | -46.9 | 173.4 | 0 | 0 | 0 | 107.8 | I523 I525 V544 K552 V553 T568 A570 F572 I581 I582 V583 | I523-I546 HydrophobicContact CD1-CG2 4.42Å; I523-I546 HydrophobicContact CG2-CD1 4.14Å; I523-I546 HydrophobicContact CG2-CG2 3.96Å; I525-I546 HydrophobicContact CD1-CD1 4.04Å; I525-I546 HydrophobicContact CD1-CG1 4.36Å; I525-I546 HydrophobicContact CG1-CD1 3.59Å; I525-I546 HydrophobicContact CG1-CG1 4.14Å; V544-I546 HydrophobicContact CG1-CG1 3.99Å; I546-K552 CarbonylContact O-C 3.55Å; I546-K552 VanDerWaalsContact O-CA 3.25Å; I546-K552 WeakPolarHBondContact O-CA 3.48Å; I546-V553 HydrophobicContact CB-CB 4.48Å; I546-V553 PolarHBondContact N-O 2.98Å; I546-V553 PolarHBondContact O-N 2.87Å; I546-T568 HydrophobicContact CD1-CG2 4.13Å; I546-A570 HydrophobicContact CD1-CB 3.94Å; I546-F572 HydrophobicContact CB-CZ 4.33Å; I546-F572 HydrophobicContact CG2-CE2 3.6Å; I546-F572 HydrophobicContact CG2-CZ 3.76Å; I546-I581 HydrophobicContact CG2-CG2 3.78Å; I546-I582 CarbonylContact C-O 3.53Å; I546-V583 HydrophobicContact CG2-CG2 4.43Å |
| 547 | K | 96.1 | Very high | 91 | Very high | 64 Ų | 64 | 49.4 Ų | 49.4 | 28% | 0.278 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 136.4 | 179.7 | -62.3 | 175.3 | 175.6 | 166.8 | 0 | 110.3 | L545 Q551 K552 I581 I582 | L545-K547 HydrophobicContact CD2-CD 4.49Å; L545-K547 HydrophobicContact CG-CG 4.2Å; K547-Q551 WeakPolarHBondContact CA-O 3.37Å; K547-K552 HydrophobicContact CG-CB 4.28Å; K547-I581 WeakPolarHBondContact O-CA 3.26Å; K547-I582 HydrophobicContact CB-CB 4.28Å; K547-I582 PolarHBondContact N-O 3Å; K547-I582 PolarHBondContact O-N 3.04Å |
| 548 | C | 95.2 | Very high | 92.3 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.02 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 119.6 | 169.1 | -173.2 | 0 | 0 | 0 | 0 | 107.9 | N550 Q551 F572 I581 | C548-N550 PolarHBondContact O-N 2.6Å; C548-Q551 PolarHBondContact N-O 2.88Å; C548-Q551 PolarHBondContact O-N 3.43Å; C548-F572 HydrophobicContact CB-CB 4.11Å; C548-F572 HydrophobicContact CB-CD1 3.56Å; C548-F572 HydrophobicContact CB-CD2 3.89Å; C548-F572 HydrophobicContact CB-CE1 3.86Å; C548-F572 HydrophobicContact CB-CE2 4.17Å; C548-F572 HydrophobicContact CB-CG 3.57Å; C548-F572 HydrophobicContact CB-CZ 4.15Å; C548-I581 HydrophobicContact CB-CG1 4.11Å |
| 549 | E | 91.9 | Very high | 93.4 | Very high | 70 Ų | 70 | 54.6 Ų | 54.6 | 33% | 0.327 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | -125.2 | -172.7 | -55.2 | 176.1 | 177.8 | 0 | 0 | 110.8 | Q551 K575 N576 | E549-Q551 VanDerWaalsContact C-N 3.33Å; E549-K575 PolarHBondContact OE1-N 2.68Å; E549-N576 PolarHBondContact OE1-N 3.06Å |
| 550 | N | 89.7 | Confident | 93.8 | Very high | 172 Ų | 172 | 59.3 Ų | 59.3 | 92% | 0.92 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 1.7 | 179.2 | -64.2 | -18.8 | 0 | 0 | 0 | 113.6 | C548 | C548-N550 PolarHBondContact O-N 2.6Š|
| 551 | Q | 93.3 | Very high | 94 | Very high | 94 Ų | 94 | 60.8 Ų | 60.8 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 144.7 | -178.2 | -60.3 | -170.4 | 0.9 | 0 | 0 | 111.2 | K547 C548 E549 F572 | K547-Q551 WeakPolarHBondContact CA-O 3.37Å; C548-Q551 PolarHBondContact N-O 2.88Å; C548-Q551 PolarHBondContact O-N 3.43Å; E549-Q551 VanDerWaalsContact C-N 3.33Å; Q551-F572 HydrophobicContact CB-CD1 3.94Å; Q551-F572 HydrophobicContact CB-CE1 3.85Å |
| 552 | K | 95.9 | Very high | 93.8 | Very high | 161 Ų | 161 | 59.8 Ų | 59.8 | 70% | 0.7 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 141.5 | 177.1 | 63.9 | -174.9 | 178.6 | -177.6 | 0 | 111.4 | L545 I546 K547 | L545-K552 HydrophobicContact CD1-CB 4.12Å; I546-K552 CarbonylContact O-C 3.55Å; I546-K552 VanDerWaalsContact O-CA 3.25Å; I546-K552 WeakPolarHBondContact O-CA 3.48Å; K547-K552 HydrophobicContact CG-CB 4.28Å |
| 553 | V | 96.6 | Very high | 93.7 | Very high | 10 Ų | 10 | 63 Ų | 63 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 129.5 | 173 | 179.2 | 0 | 0 | 0 | 0 | 108.2 | D433 N434 L545 I546 T568 A570 F572 | D433-V553 HydrophobicContact CB-CG1 3.88Å; N434-V553 HydrophobicContact CB-CG2 3.77Å; L545-V553 CarbonylContact C-O 3.59Å; L545-V553 WeakPolarHBondContact CA-O 3.19Å; I546-V553 HydrophobicContact CB-CB 4.48Å; I546-V553 PolarHBondContact N-O 2.98Å; I546-V553 PolarHBondContact O-N 2.87Å; V553-T568 HydrophobicContact CG1-CG2 4.1Å; V553-A570 HydrophobicContact CB-CB 4Å; V553-A570 HydrophobicContact CG1-CB 4.24Å; V553-A570 HydrophobicContact CG2-CB 3.74Å; V553-F572 HydrophobicContact CG2-CE1 4.4Å; V553-F572 HydrophobicContact CG2-CZ 4.19Å |
| 554 | R | 95.3 | Very high | 93.5 | Very high | 122 Ų | 122 | 62.5 Ų | 62.5 | 46% | 0.46 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 131.4 | -178.3 | -173.9 | -175.3 | 175.4 | 157.1 | 4.5 | 109.2 | Y543 V544 L545 D593 | Y543-R554 HydrophobicContact CD2-CG 3.76Å; Y543-R554 HydrophobicContact CE2-CG 4.04Å; V544-R554 CarbonylContact O-C 3.38Å; V544-R554 WeakPolarHBondContact O-CA 3.2Å; L545-R554 HydrophobicContact CD1-CB 4Å; L545-R554 HydrophobicContact CD1-CG 4.48Å; R554-D593 IonicContact NH2-OD2 3.33Å; R554-D593 PolarHBondContact NH2-OD2 2.82Å |
| 555 | S | 94.8 | Very high | 93.3 | Very high | 8 Ų | 8 | 67.5 Ų | 67.5 | 6% | 0.056 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 169.8 | 172.8 | 75.8 | 0 | 0 | 0 | 0 | 112.1 | V544 T568 | V544-S555 PolarHBondContact N-OG 2.91Å; V544-S555 PolarHBondContact O-N 3.03Å; S555-T568 WeakPolarHBondContact CA-OG1 3.39Å; S555-T568 WeakPolarHBondContact CB-OG1 3.44Å |
| 556 | T | 91.6 | Very high | 93 | Very high | 65 Ų | 65 | 66.7 Ų | 66.7 | 40% | 0.399 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 154.7 | 160.6 | 56 | 0 | 0 | 0 | 0 | 110.5 | Q558 | T556-Q558 PolarHBondContact OG1-NE2 3.44Š|
| 557 | V | 93.2 | Very high | 92.3 | Very high | 54 Ų | 54 | 69.3 Ų | 69.3 | 33% | 0.327 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 132.1 | 172.8 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | D541 Y543 | D541-V557 HydrophobicContact CB-CG1 3.83Å; Y543-V557 HydrophobicContact CD1-CG2 4.21Å; Y543-V557 HydrophobicContact CG-CG2 4.46Å |
| 558 | Q | 92.3 | Very high | 92.2 | Very high | 59 Ų | 59 | 66.5 Ų | 66.5 | 28% | 0.276 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -93.5 | 133.1 | 167.8 | -58.3 | -56.8 | -42.1 | 0 | 0 | 107.9 | D541 P542 T556 T561 A564 F566 | D541-Q558 CarbonylContact C-O 3.54Å; D541-Q558 VanDerWaalsContact C-O 3.26Å; D541-Q558 WeakPolarHBondContact CA-O 3.43Å; P542-Q558 VanDerWaalsContact CD-O 3.25Å; P542-Q558 WeakPolarHBondContact CD-O 3.22Å; P542-Q558 HydrophobicContact CG-CB 4.28Å; P542-Q558 PolarHBondContact O-N 2.91Å; T556-Q558 PolarHBondContact OG1-NE2 3.44Å; Q558-T561 HydrophobicContact CB-CG2 3.84Å; Q558-A564 HydrophobicContact CB-CB 3.94Å; Q558-A564 HydrophobicContact CG-CB 3.85Å; Q558-F566 HydrophobicContact CG-CD1 4.27Å; Q558-F566 HydrophobicContact CG-CE1 3.85Å; Q558-F566 HydrophobicContact CG-CZ 4.49Å |
| 559 | Q | 90.9 | Very high | 92.2 | Very high | 166 Ų | 166 | 66.5 Ų | 66.5 | 78% | 0.776 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -92.3 | 140.1 | -172.6 | -67.8 | -179.8 | -19.2 | 0 | 0 | 111.6 | D541 T561 | D541-Q559 VanDerWaalsContact OD1-CA 3.31Å; D541-Q559 WeakPolarHBondContact OD1-CA 3.35Å; Q559-T561 PolarHBondContact O-N 3.29Å |
| 560 | D | 89.6 | Confident | 92.4 | Very high | 103 Ų | 103 | 63.1 Ų | 63.1 | 55% | 0.551 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 46.6 | 52.1 | 168.6 | -166.3 | 23.9 | 0 | 0 | 0 | 114.3 | G539 A540 D541 | G539-D560 WeakPolarHBondContact CA-OD1 3.48Å; A540-D560 CarbonylContact O-C 3.16Å; A540-D560 WeakPolarHBondContact O-CA 3.3Å; A540-D560 PolarHBondContact O-N 2.9Å; D541-D560 PolarHBondContact OD1-N 2.64Å |
| 561 | T | 90.8 | Very high | 92.7 | Very high | 36 Ų | 36 | 55.2 Ų | 55.2 | 22% | 0.221 | 29% | 0.285 | C | S | . | . | trans | -146.3 | 143.1 | -179.3 | -175.8 | 0 | 0 | 0 | 0 | 113.7 | A540 P542 Q558 Q559 S563 A564 | A540-T561 PolarHBondContact O-N 3.44Å; P542-T561 VanDerWaalsContact CD-O 3.27Å; P542-T561 WeakPolarHBondContact CD-O 3.36Å; P542-T561 HydrophobicContact CG-CG2 4.11Å; Q558-T561 HydrophobicContact CB-CG2 3.84Å; Q559-T561 PolarHBondContact O-N 3.29Å; T561-S563 VanDerWaalsContact OG1-C 3.24Å; T561-S563 PolarHBondContact OG1-N 2.84Å; T561-S563 PolarHBondContact OG1-O 2.95Å; T561-A564 HydrophobicContact CG2-CB 4.01Å | ||
| 562 | T | 89.9 | Confident | 92.9 | Very high | 36 Ų | 36 | 50.8 Ų | 50.8 | 22% | 0.221 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -99.4 | -3.3 | 168.6 | 53.2 | 0 | 0 | 0 | 0 | 113.2 | G530 L531 K533 | G530-T562 PolarHBondContact N-O 2.84Å; L531-T562 WeakPolarHBondContact CB-O 3.3Å; L531-T562 WeakPolarHBondContact CG-O 3.41Å; L531-T562 PolarHBondContact N-O 3.31Å; L531-T562 WeakPolarHBondContact O-CG2 3.34Å; K533-T562 HydrophobicContact CG-CG2 3.95Å |
| 563 | S | 92.1 | Very high | 92.9 | Very high | 67 Ų | 67 | 44.1 Ų | 44.1 | 47% | 0.469 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -130.6 | 90.6 | 176.3 | -68.6 | 0 | 0 | 0 | 0 | 108.9 | A528 T561 | A528-S563 CarbonylContact O-C 3.43Å; A528-S563 WeakPolarHBondContact O-CA 3.26Å; T561-S563 VanDerWaalsContact OG1-C 3.24Å; T561-S563 PolarHBondContact OG1-N 2.84Å; T561-S563 PolarHBondContact OG1-O 2.95Å |
| 564 | A | 92.5 | Very high | 92.8 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 132.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S527 A528 P542 Q558 T561 F566 | S527-A564 CarbonylContact C-O 3.53Å; S527-A564 WeakPolarHBondContact CA-O 3.49Å; S527-A564 WeakPolarHBondContact CB-O 3.45Å; A528-A564 PolarHBondContact N-O 3.23Å; A528-A564 PolarHBondContact O-N 2.9Å; P542-A564 HydrophobicContact CB-CB 4.39Å; P542-A564 HydrophobicContact CG-CB 3.5Å; P542-A564 VanDerWaalsContact CG-CB 3.5Å; Q558-A564 HydrophobicContact CB-CB 3.94Å; Q558-A564 HydrophobicContact CG-CB 3.85Å; T561-A564 HydrophobicContact CG2-CB 4.01Å; A564-F566 HydrophobicContact CB-CE1 4.17Å; A564-F566 HydrophobicContact CB-CE2 3.7Å; A564-F566 HydrophobicContact CB-CZ 3.47Å; A564-F566 VanDerWaalsContact CB-CZ 3.47Å |
| 565 | V | 92.9 | Very high | 92.7 | Very high | 105 Ų | 105 | 41.9 Ų | 41.9 | 64% | 0.636 | 23% | 0.228 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 127.4 | 168.2 | 178.7 | 0 | 0 | 0 | 0 | 108.1 | H526 | H526-V565 WeakPolarHBondContact O-CA 3.41Å; H526-V565 WeakPolarHBondContact O-CG1 3.47Å |
| 566 | F | 90.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 142.5 | 174.9 | -58 | -74.6 | 0 | 0 | 0 | 108.8 | I525 H526 A528 P542 V544 Q558 A564 | I525-F566 HydrophobicContact CB-CB 4.24Å; I525-F566 HydrophobicContact CG2-CB 4.02Å; I525-F566 HydrophobicContact CG2-CD2 3.95Å; I525-F566 HydrophobicContact CG2-CG 4.28Å; I525-F566 CarbonylContact O-C 3.59Å; H526-F566 PolarHBondContact O-N 3.01Å; H526-F566 VanDerWaalsContact O-O 3.08Å; A528-F566 HydrophobicContact CB-CE2 3.77Å; P542-F566 HydrophobicContact CB-CZ 4.27Å; P542-F566 HydrophobicContact CG-CZ 4.5Å; V544-F566 HydrophobicContact CG2-CD1 4.05Å; V544-F566 HydrophobicContact CG2-CD2 3.67Å; V544-F566 HydrophobicContact CG2-CE1 3.89Å; V544-F566 HydrophobicContact CG2-CE2 3.48Å; V544-F566 VanDerWaalsContact CG2-CE2 3.48Å; V544-F566 HydrophobicContact CG2-CG 3.95Å; V544-F566 HydrophobicContact CG2-CZ 3.6Å; Q558-F566 HydrophobicContact CG-CD1 4.27Å; Q558-F566 HydrophobicContact CG-CE1 3.85Å; Q558-F566 HydrophobicContact CG-CZ 4.49Å; A564-F566 HydrophobicContact CB-CE1 4.17Å; A564-F566 HydrophobicContact CB-CE2 3.7Å; A564-F566 HydrophobicContact CB-CZ 3.47Å; A564-F566 VanDerWaalsContact CB-CZ 3.47Å |
| 567 | D | 83.2 | Confident | 92.5 | Very high | 55 Ų | 55 | 44.4 Ų | 44.4 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 49.2 | 169.8 | -176.1 | 32.9 | 0 | 0 | 0 | 108.9 | K430 K524 | K430-D567 WeakPolarHBondContact CD-OD2 3.3Å; K430-D567 WeakPolarHBondContact CE-OD2 3.4Å; K430-D567 IonicContact NZ-OD2 3.55Å; K430-D567 PolarHBondContact NZ-OD2 3.47Å; K524-D567 IonicContact NZ-OD1 2.89Å |
| 568 | T | 93.3 | Very high | 92.3 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.8 | -176.1 | -62.7 | 0 | 0 | 0 | 0 | 109.4 | I525 I546 V553 S555 | I525-T568 PolarHBondContact N-O 3.42Å; I546-T568 HydrophobicContact CD1-CG2 4.13Å; V553-T568 HydrophobicContact CG1-CG2 4.1Å; S555-T568 WeakPolarHBondContact CA-OG1 3.39Å; S555-T568 WeakPolarHBondContact CB-OG1 3.44Å |
| 569 | Q | 95.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 138.7 | -178.3 | -56.1 | 176.9 | 25.5 | 0 | 0 | 108.9 | E432 D433 V444 I523 K524 | E432-Q569 CarbonylContact C-O 3.54Å; E432-Q569 VanDerWaalsContact CA-O 3.27Å; E432-Q569 WeakPolarHBondContact CA-O 3.24Å; E432-Q569 HydrophobicContact CB-CB 4.29Å; E432-Q569 HydrophobicContact CG-CB 3.94Å; D433-Q569 PolarHBondContact N-O 2.82Å; V444-Q569 PolarHBondContact O-NE2 2.72Å; I523-Q569 CarbonylContact O-C 3.39Å; I523-Q569 VanDerWaalsContact O-CA 3.3Å; I523-Q569 WeakPolarHBondContact O-CA 3.33Å; K524-Q569 HydrophobicContact CB-CG 4.18Å; K524-Q569 HydrophobicContact CD-CG 4.15Å; K524-Q569 HydrophobicContact CG-CG 3.94Å |
| 570 | A | 96.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 146.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111 | Q522 I523 I546 V553 F572 | Q522-A570 CarbonylContact C-O 3.5Å; Q522-A570 WeakPolarHBondContact CA-O 3.29Å; I523-A570 HydrophobicContact CG2-CB 3.81Å; I523-A570 PolarHBondContact N-O 3.29Å; I523-A570 PolarHBondContact O-N 3.13Å; I546-A570 HydrophobicContact CD1-CB 3.94Å; V553-A570 HydrophobicContact CB-CB 4Å; V553-A570 HydrophobicContact CG1-CB 4.24Å; V553-A570 HydrophobicContact CG2-CB 3.74Å; A570-F572 HydrophobicContact CB-CD2 4.44Å; A570-F572 HydrophobicContact CB-CE2 3.56Å; A570-F572 HydrophobicContact CB-CZ 3.71Å |
| 571 | I | 96.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 130.6 | 173.7 | -174.2 | 167.4 | 0 | 0 | 0 | 109.9 | E432 N434 R435 V520 T521 Q522 Y573 | E432-I571 HydrophobicContact CB-CB 4.15Å; E432-I571 HydrophobicContact CB-CG2 3.84Å; E432-I571 HydrophobicContact CG-CB 3.9Å; E432-I571 HydrophobicContact CG-CG2 4.12Å; N434-I571 PolarHBondContact ND2-O 3Å; N434-I571 PolarHBondContact OD1-N 2.93Å; N434-I571 PolarHBondContact OD1-O 3.23Å; R435-I571 HydrophobicContact CB-CG2 4.12Å; V520-I571 HydrophobicContact CG2-CD1 3.72Å; V520-I571 HydrophobicContact CG2-CG1 3.75Å; T521-I571 CarbonylContact O-C 3.47Å; T521-I571 WeakPolarHBondContact O-CA 3.23Å; Q522-I571 HydrophobicContact CG-CB 4.24Å; Q522-I571 HydrophobicContact CG-CD1 3.94Å; Q522-I571 HydrophobicContact CG-CG1 3.98Å; I571-Y573 HydrophobicContact CD1-CE2 4.09Å; I571-Y573 HydrophobicContact CG1-CE2 4.13Å |
| 572 | F | 96.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.009 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.5 | -178.3 | -59.4 | -75.5 | 0 | 0 | 0 | 110.9 | V520 T521 I523 I546 C548 Q551 V553 A570 R574 I581 | V520-F572 CarbonylContact C-O 3.55Å; V520-F572 WeakPolarHBondContact CA-O 3.41Å; T521-F572 PolarHBondContact N-O 3.19Å; T521-F572 PolarHBondContact O-N 2.78Å; I523-F572 HydrophobicContact CG2-CD2 4.48Å; I523-F572 HydrophobicContact CG2-CE2 3.99Å; I546-F572 HydrophobicContact CB-CZ 4.33Å; I546-F572 HydrophobicContact CG2-CE2 3.6Å; I546-F572 HydrophobicContact CG2-CZ 3.76Å; C548-F572 HydrophobicContact CB-CB 4.11Å; C548-F572 HydrophobicContact CB-CD1 3.56Å; C548-F572 HydrophobicContact CB-CD2 3.89Å; C548-F572 HydrophobicContact CB-CE1 3.86Å; C548-F572 HydrophobicContact CB-CE2 4.17Å; C548-F572 HydrophobicContact CB-CG 3.57Å; C548-F572 HydrophobicContact CB-CZ 4.15Å; Q551-F572 HydrophobicContact CB-CD1 3.94Å; Q551-F572 HydrophobicContact CB-CE1 3.85Å; V553-F572 HydrophobicContact CG2-CE1 4.4Å; V553-F572 HydrophobicContact CG2-CZ 4.19Å; A570-F572 HydrophobicContact CB-CD2 4.44Å; A570-F572 HydrophobicContact CB-CE2 3.56Å; A570-F572 HydrophobicContact CB-CZ 3.71Å; F572-R574 HydrophobicContact CB-CG 4.12Å; F572-I581 HydrophobicContact CD2-CD1 4.16Å |
| 573 | Y | 95.3 | Very high | 93.1 | Very high | 20 Ų | 20 | 35.3 Ų | 35.3 | 8% | 0.078 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 97.9 | 170.8 | -72.5 | -100 | 0 | 0 | 0 | 107.9 | Y437 K504 P505 R519 V520 I571 L641 | Y437-Y573 HydrophobicContact CD2-CD2 4.03Å; Y437-Y573 HydrophobicContact CD2-CE1 4.43Å; Y437-Y573 AromaticContact CD2-CE2 3.37Å; Y437-Y573 HydrophobicContact CD2-CE2 3.37Å; Y437-Y573 AromaticContact CD2-CZ 3.59Å; Y437-Y573 AromaticContact CE2-CD2 3.98Å; Y437-Y573 HydrophobicContact CE2-CD2 3.98Å; Y437-Y573 AromaticContact CE2-CE2 3.82Å; Y437-Y573 HydrophobicContact CE2-CE2 3.82Å; Y437-Y573 HydrophobicContact CG-CE2 4.4Å; K504-Y573 HydrophobicContact CB-CE1 4.25Å; P505-Y573 HydrophobicContact CG-CD1 3.55Å; P505-Y573 HydrophobicContact CG-CD2 4.31Å; P505-Y573 HydrophobicContact CG-CE1 4.1Å; P505-Y573 HydrophobicContact CG-CG 3.64Å; R519-Y573 CarbonylContact O-C 3.58Å; V520-Y573 HydrophobicContact CB-CD1 4.34Å; V520-Y573 HydrophobicContact CB-CE1 4.29Å; V520-Y573 HydrophobicContact CG2-CD1 4.37Å; V520-Y573 HydrophobicContact CG2-CD2 4.5Å; V520-Y573 HydrophobicContact CG2-CE1 4.1Å; V520-Y573 HydrophobicContact CG2-CE2 4.19Å; I571-Y573 HydrophobicContact CD1-CE2 4.09Å; I571-Y573 HydrophobicContact CG1-CE2 4.13Å; Y573-L641 HydrophobicContact CD1-CB 4.49Å; Y573-L641 HydrophobicContact CD1-CD2 4.18Å; Y573-L641 HydrophobicContact CE1-CB 4.26Å |
| 574 | R | 94.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 130.6 | -166 | -60.8 | 170.5 | 65.6 | -166.4 | 2.6 | 111.2 | P517 R518 R519 T521 F572 I577 S579 A602 A603 | P517-R574 CarbonylContact C-O 3.55Å; P517-R574 VanDerWaalsContact CA-O 3.3Å; P517-R574 WeakPolarHBondContact CA-O 3.5Å; R518-R574 PolarHBondContact N-O 3.02Å; R519-R574 HydrophobicContact CB-CB 4.39Å; R519-R574 PolarHBondContact N-O 2.74Å; R519-R574 PolarHBondContact O-N 3.17Å; T521-R574 WeakPolarHBondContact OG1-CD 3.5Å; T521-R574 PolarHBondContact OG1-NH1 3.15Å; F572-R574 HydrophobicContact CB-CG 4.12Å; R574-I577 PolarHBondContact NH2-O 3.13Å; R574-S579 PolarHBondContact NH2-O 3Å; R574-A602 PolarHBondContact NH1-O 3.08Å; R574-A602 VanDerWaalsContact NH1-O 3.15Å; R574-A602 PolarHBondContact NH2-O 3.33Å; R574-A603 PolarHBondContact NH1-O 2.81Å |
| 575 | K | 93.3 | Very high | 93.5 | Very high | 84 Ų | 84 | 32.6 Ų | 32.6 | 37% | 0.365 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -92.2 | -43.9 | 173.6 | -61 | -179.3 | 176 | -167.2 | 0 | 110.7 | C514 G515 P517 E549 | C514-K575 WeakPolarHBondContact O-CD 3.33Å; C514-K575 PolarHBondContact O-NZ 3.43Å; G515-K575 WeakPolarHBondContact O-CE 3.23Å; G515-K575 PolarHBondContact O-NZ 3.38Å; P517-K575 HydrophobicContact CG-CG 4.25Å; E549-K575 PolarHBondContact OE1-N 2.68Å |
| 576 | N | 90.9 | Very high | 93.7 | Very high | 85 Ų | 85 | 29.2 Ų | 29.2 | 46% | 0.455 | 15% | 0.152 | S | C | . | . | trans | -97.1 | 100 | 176.2 | -174.1 | -12.1 | 0 | 0 | 0 | 109.3 | E549 D578 S579 | E549-N576 PolarHBondContact OE1-N 3.06Å; N576-D578 PolarHBondContact O-N 3.1Å; N576-D578 PolarHBondContact OD1-N 2.78Å; N576-D578 VanDerWaalsContact OD1-N 3.12Å; N576-S579 WeakPolarHBondContact O-CB 3.3Å; N576-S579 PolarHBondContact O-N 2.77Å; N576-S579 PolarHBondContact OD1-N 3.44Å | ||
| 577 | I | 91 | Very high | 93.8 | Very high | 42 Ų | 42 | 29.2 Ų | 29.2 | 22% | 0.215 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -20.3 | -177.2 | 62.3 | 175.1 | 0 | 0 | 0 | 113.2 | R518 R519 R574 | R518-I577 HydrophobicContact CB-CG2 4.23Å; R519-I577 HydrophobicContact CB-CG2 4.05Å; R574-I577 PolarHBondContact NH2-O 3.13Å |
| 578 | D | 89.1 | Confident | 94.2 | Very high | 141 Ų | 141 | 28 Ų | 28 | 75% | 0.754 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -17.7 | 178.8 | -55.6 | -45.8 | 0 | 0 | 0 | 111.9 | N576 P580 | N576-D578 PolarHBondContact O-N 3.1Å; N576-D578 PolarHBondContact OD1-N 2.78Å; N576-D578 VanDerWaalsContact OD1-N 3.12Å; D578-P580 WeakPolarHBondContact O-CD 3.35Å |
| 579 | S | 90.6 | Very high | 94 | Very high | 32 Ų | 32 | 31 Ų | 31 | 22% | 0.224 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -70.8 | 121.7 | 175.5 | -170.3 | 0 | 0 | 0 | 0 | 110.1 | R574 N576 | R574-S579 PolarHBondContact NH2-O 3Å; N576-S579 WeakPolarHBondContact O-CB 3.3Å; N576-S579 PolarHBondContact O-N 2.77Å; N576-S579 PolarHBondContact OD1-N 3.44Å |
| 580 | P | 93.4 | Very high | 93.3 | Very high | 42 Ų | 42 | 38.1 Ų | 38.1 | 27% | 0.273 | 21% | 0.207 | S | C | . | . | P | Polyproline II helix | trans | -72.3 | 155.2 | -178.2 | 30.3 | -35.3 | 0 | 0 | 0 | 111.6 | D578 L600 L601 | D578-P580 WeakPolarHBondContact O-CD 3.35Å; P580-L600 HydrophobicContact CB-CB 4.48Å; P580-L600 HydrophobicContact CG-CD2 4.28Å; P580-L601 CarbonylContact C-O 3.48Å; P580-L601 VanDerWaalsContact CA-O 3.27Å; P580-L601 WeakPolarHBondContact CA-O 3.39Å; P580-L601 WeakPolarHBondContact CB-O 3.4Å |
| 581 | I | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 124.1 | 162.7 | -60.7 | 178.8 | 0 | 0 | 0 | 107.7 | T521 I523 I546 K547 C548 F572 V583 L601 A603 | T521-I581 HydrophobicContact CG2-CD1 3.3Å; I523-I581 HydrophobicContact CD1-CG2 4.28Å; I546-I581 HydrophobicContact CG2-CG2 3.78Å; K547-I581 WeakPolarHBondContact O-CA 3.26Å; C548-I581 HydrophobicContact CB-CG1 4.11Å; F572-I581 HydrophobicContact CD2-CD1 4.16Å; I581-V583 HydrophobicContact CG2-CG2 4.43Å; I581-L601 HydrophobicContact CB-CB 4.22Å; I581-L601 PolarHBondContact N-O 3.42Å; I581-L601 PolarHBondContact O-N 3.15Å; I581-A603 HydrophobicContact CD1-CB 4.01Å |
| 582 | I | 95.8 | Very high | 92.1 | Very high | 47 Ų | 47 | 50.9 Ų | 50.9 | 24% | 0.241 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 115.3 | -178.1 | -45.4 | -178.2 | 0 | 0 | 0 | 107.9 | I546 K547 Q584 Q598 L600 | I546-I582 CarbonylContact C-O 3.53Å; K547-I582 HydrophobicContact CB-CB 4.28Å; K547-I582 PolarHBondContact N-O 3Å; K547-I582 PolarHBondContact O-N 3.04Å; I582-Q584 HydrophobicContact CG2-CG 3.71Å; I582-Q598 HydrophobicContact CG2-CB 4.37Å; I582-L600 HydrophobicContact CB-CD2 4.08Å; I582-L600 HydrophobicContact CD1-CD2 4.23Å; I582-L600 HydrophobicContact CG1-CD2 3.65Å; I582-L600 HydrophobicContact CG2-CD2 3.83Å |
| 583 | V | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 111.6 | 173.5 | -172.1 | 0 | 0 | 0 | 0 | 107.9 | I523 I525 V544 I546 I581 Q598 A599 L601 I631 | I523-V583 HydrophobicContact CD1-CG2 3.6Å; I525-V583 HydrophobicContact CD1-CG1 3.73Å; I525-V583 HydrophobicContact CD1-CG2 4.11Å; V544-V583 HydrophobicContact CG1-CG1 3.5Å; V544-V583 VanDerWaalsContact CG1-CG1 3.5Å; I546-V583 HydrophobicContact CG2-CG2 4.43Å; I581-V583 HydrophobicContact CG2-CG2 4.43Å; V583-Q598 CarbonylContact O-C 3.58Å; V583-Q598 WeakPolarHBondContact O-CA 3.44Å; V583-Q598 WeakPolarHBondContact O-CB 3.23Å; V583-A599 PolarHBondContact N-O 2.97Å; V583-A599 PolarHBondContact O-N 2.9Å; V583-L601 HydrophobicContact CG2-CD1 3.71Å; V583-I631 HydrophobicContact CB-CD1 4.4Å; V583-I631 HydrophobicContact CG1-CD1 3.37Å |
| 584 | Q | 96.4 | Very high | 91.7 | Very high | 13 Ų | 13 | 55.5 Ų | 55.5 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 137.1 | -179 | -54.8 | -170.8 | -41.8 | 0 | 0 | 110.4 | V544 L545 I582 W586 F595 G597 Q598 | V544-Q584 CarbonylContact C-O 3.58Å; V544-Q584 VanDerWaalsContact CA-O 3.32Å; V544-Q584 WeakPolarHBondContact CA-O 3.37Å; L545-Q584 HydrophobicContact CB-CB 4.4Å; L545-Q584 PolarHBondContact N-O 2.81Å; L545-Q584 PolarHBondContact O-N 2.82Å; I582-Q584 HydrophobicContact CG2-CG 3.71Å; Q584-W586 VanDerWaalsContact CB-NE1 3.33Å; Q584-F595 HydrophobicContact CB-CE2 4.11Å; Q584-F595 HydrophobicContact CG-CE2 4.22Å; Q584-G597 WeakPolarHBondContact CA-O 3.26Å; Q584-Q598 HydrophobicContact CB-CB 4.47Å; Q584-Q598 HydrophobicContact CG-CB 3.99Å; Q584-Q598 VanDerWaalsContact NE2-OE1 3.11Å |
| 585 | V | 96.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 132.1 | 171.3 | -168.5 | 0 | 0 | 0 | 0 | 108.3 | A528 L531 P542 V544 L596 G597 L616 I631 | A528-V585 HydrophobicContact CB-CG2 4.41Å; L531-V585 HydrophobicContact CD1-CG1 4.12Å; L531-V585 HydrophobicContact CD2-CG1 3.98Å; P542-V585 HydrophobicContact CB-CG1 4.31Å; V544-V585 HydrophobicContact CG2-CG2 4.42Å; V585-L596 HydrophobicContact CB-CB 4.31Å; V585-L596 HydrophobicContact CG1-CB 4.31Å; V585-L596 HydrophobicContact CG1-CD1 4.13Å; V585-L596 WeakPolarHBondContact O-CB 3.42Å; V585-L596 PolarHBondContact O-N 3.11Å; V585-G597 PolarHBondContact N-O 3.38Å; V585-G597 PolarHBondContact O-N 2.84Å; V585-L616 HydrophobicContact CB-CD1 4.3Å; V585-L616 HydrophobicContact CG2-CD1 3.96Å; V585-L616 HydrophobicContact CG2-CD2 3.87Å; V585-I631 HydrophobicContact CG2-CD1 3.88Å |
| 586 | W | 95.8 | Very high | 91.7 | Very high | 34 Ų | 34 | 53.7 Ų | 53.7 | 13% | 0.129 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 149.9 | -176.9 | -70.1 | 81.5 | 0 | 0 | 0 | 109.9 | P542 Y543 Q584 D593 Q594 F595 | P542-W586 CarbonylContact C-O 3.56Å; P542-W586 WeakPolarHBondContact CA-O 3.44Å; Y543-W586 HydrophobicContact CD1-CB 3.94Å; Y543-W586 HydrophobicContact CD2-CB 4.2Å; Y543-W586 HydrophobicContact CE1-CB 3.42Å; Y543-W586 VanDerWaalsContact CE1-CB 3.42Å; Y543-W586 HydrophobicContact CE1-CG 4.37Å; Y543-W586 HydrophobicContact CE2-CB 3.69Å; Y543-W586 AromaticContact CE2-CG 3.98Å; Y543-W586 HydrophobicContact CE2-CG 3.98Å; Y543-W586 HydrophobicContact CG-CB 4.32Å; Y543-W586 AromaticContact CZ-CG 3.77Å; Y543-W586 PolarHBondContact N-O 3.25Å; Y543-W586 PolarHBondContact O-N 3.1Å; Q584-W586 VanDerWaalsContact CB-NE1 3.33Å; W586-D593 HydrophobicContact CE3-CB 4Å; W586-D593 HydrophobicContact CZ3-CB 4.49Å; W586-D593 WeakPolarHBondContact CZ3-O 3.38Å; W586-Q594 CarbonylContact C-O 3.59Å; W586-Q594 VanDerWaalsContact CA-O 3.27Å; W586-Q594 WeakPolarHBondContact CA-O 3.27Å; W586-Q594 VanDerWaalsContact CE3-C 3.49Å; W586-F595 HydrophobicContact CD2-CB 4.35Å; W586-F595 HydrophobicContact CD2-CD2 4.31Å; W586-F595 AromaticContact CE2-CD2 3.84Å; W586-F595 HydrophobicContact CE3-CB 4.05Å; W586-F595 HydrophobicContact CH2-CB 4.2Å; W586-F595 HydrophobicContact CZ2-CB 4.42Å; W586-F595 AromaticContact CZ2-CD2 3.96Å; W586-F595 HydrophobicContact CZ2-CD2 3.96Å; W586-F595 HydrophobicContact CZ3-CB 3.98Å |
| 587 | N | 93.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 125.1 | 168.5 | -173.6 | 73.7 | 0 | 0 | 0 | 109.3 | Q534 A540 D541 N589 D593 Q594 L596 | Q534-N587 HydrophobicContact CG-CB 4.07Å; A540-N587 WeakPolarHBondContact CA-OD1 3.39Å; A540-N587 WeakPolarHBondContact CB-OD1 3.29Å; D541-N587 PolarHBondContact N-OD1 3.34Å; N587-N589 PolarHBondContact ND2-ND2 3.43Å; N587-N589 PolarHBondContact ND2-OD1 2.94Å; N587-D593 CarbonylContact O-C 3.49Å; N587-D593 VanDerWaalsContact O-CA 3.25Å; N587-D593 WeakPolarHBondContact O-CA 3.44Å; N587-D593 WeakPolarHBondContact O-CB 3.26Å; N587-Q594 HydrophobicContact CB-CB 4.25Å; N587-Q594 PolarHBondContact N-O 3.36Å; N587-Q594 PolarHBondContact O-N 3.17Å; N587-L596 HydrophobicContact CB-CD1 4.03Å; N587-L596 HydrophobicContact CB-CD2 4.12Å; N587-L596 HydrophobicContact CB-CG 4.09Å |
| 588 | S | 92.5 | Very high | 92.2 | Very high | 31 Ų | 31 | 48.2 Ų | 48.2 | 22% | 0.217 | 27% | 0.267 | C | S | . | . | trans | -72.5 | 130.1 | 174.3 | -162.3 | 0 | 0 | 0 | 0 | 109.8 | D541 D593 | D541-S588 PolarHBondContact O-N 3.31Å; S588-D593 WeakPolarHBondContact CA-OD1 3.37Å | ||
| 589 | N | 87.9 | Confident | 92.5 | Very high | 68 Ų | 68 | 41.8 Ų | 41.8 | 36% | 0.364 | 23% | 0.234 | S | C | . | . | trans | -133.8 | 160.1 | 177.3 | -76.1 | -42.4 | 0 | 0 | 0 | 110.6 | N587 L591 C592 D593 | N587-N589 PolarHBondContact ND2-ND2 3.43Å; N587-N589 PolarHBondContact ND2-OD1 2.94Å; N589-L591 VanDerWaalsContact C-N 3.33Å; N589-L591 PolarHBondContact O-N 2.79Å; N589-C592 VanDerWaalsContact CB-O 3.28Å; N589-C592 WeakPolarHBondContact CB-O 3.46Å; N589-C592 PolarHBondContact ND2-O 2.95Å; N589-D593 PolarHBondContact N-OD1 2.91Å; N589-D593 VanDerWaalsContact N-OD1 3.08Å | ||
| 590 | V | 81.1 | Confident | 92.6 | Very high | 151 Ų | 151 | 41.8 Ų | 41.8 | 92% | 0.915 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -62.8 | -37.4 | -179.3 | -179.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 591 | L | 82.1 | Confident | 92.6 | Very high | 175 Ų | 175 | 40.3 Ų | 40.3 | 92% | 0.916 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -99.9 | -55.2 | -176.6 | -67.3 | 174 | 0 | 0 | 0 | 113 | N589 | N589-L591 VanDerWaalsContact C-N 3.33Å; N589-L591 PolarHBondContact O-N 2.79Å |
| 592 | C | 85.4 | Confident | 92.5 | Very high | 98 Ų | 98 | 41.9 Ų | 41.9 | 66% | 0.662 | 23% | 0.234 | S | C | * | . | trans | -148.8 | 123.3 | -176.9 | -170.9 | 0 | 0 | 0 | 0 | 110.6 | N589 | N589-C592 VanDerWaalsContact CB-O 3.28Å; N589-C592 WeakPolarHBondContact CB-O 3.46Å; N589-C592 PolarHBondContact ND2-O 2.95Å | ||
| 593 | D | 92.2 | Very high | 92.2 | Very high | 39 Ų | 39 | 39.7 Ų | 39.7 | 21% | 0.209 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -60.6 | 138.4 | 177.5 | -68.1 | -7.5 | 0 | 0 | 0 | 110.7 | Y543 R554 W586 N587 S588 N589 | Y543-D593 HydrophobicContact CE1-CB 4.23Å; Y543-D593 WeakPolarHBondContact CE1-OD2 3.48Å; Y543-D593 VanDerWaalsContact CZ-OD2 3.26Å; Y543-D593 PolarHBondContact OH-OD2 3.48Å; R554-D593 IonicContact NH2-OD2 3.33Å; R554-D593 PolarHBondContact NH2-OD2 2.82Å; W586-D593 HydrophobicContact CE3-CB 4Å; W586-D593 HydrophobicContact CZ3-CB 4.49Å; W586-D593 WeakPolarHBondContact CZ3-O 3.38Å; N587-D593 CarbonylContact O-C 3.49Å; N587-D593 VanDerWaalsContact O-CA 3.25Å; N587-D593 WeakPolarHBondContact O-CA 3.44Å; N587-D593 WeakPolarHBondContact O-CB 3.26Å; S588-D593 WeakPolarHBondContact CA-OD1 3.37Å; N589-D593 PolarHBondContact N-OD1 2.91Å; N589-D593 VanDerWaalsContact N-OD1 3.08Å |
| 594 | Q | 92.3 | Very high | 91.9 | Very high | 79 Ų | 79 | 42 Ų | 42 | 37% | 0.369 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 133.8 | -176.4 | -177.6 | 175.3 | -11.6 | 0 | 0 | 110.9 | W586 N587 | W586-Q594 CarbonylContact C-O 3.59Å; W586-Q594 VanDerWaalsContact CA-O 3.27Å; W586-Q594 WeakPolarHBondContact CA-O 3.27Å; W586-Q594 VanDerWaalsContact CE3-C 3.49Å; N587-Q594 HydrophobicContact CB-CB 4.25Å; N587-Q594 PolarHBondContact N-O 3.36Å; N587-Q594 PolarHBondContact O-N 3.17Å |
| 595 | F | 94 | Very high | 91.5 | Very high | 42 Ų | 42 | 43.3 Ų | 43.3 | 18% | 0.184 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 125.5 | 177.7 | 176.9 | -99.3 | 0 | 0 | 0 | 110.3 | Q584 W586 G597 Q598 R619 | Q584-F595 HydrophobicContact CB-CE2 4.11Å; Q584-F595 HydrophobicContact CG-CE2 4.22Å; W586-F595 HydrophobicContact CD2-CB 4.35Å; W586-F595 HydrophobicContact CD2-CD2 4.31Å; W586-F595 AromaticContact CE2-CD2 3.84Å; W586-F595 HydrophobicContact CE3-CB 4.05Å; W586-F595 HydrophobicContact CH2-CB 4.2Å; W586-F595 HydrophobicContact CZ2-CB 4.42Å; W586-F595 AromaticContact CZ2-CD2 3.96Å; W586-F595 HydrophobicContact CZ2-CD2 3.96Å; W586-F595 HydrophobicContact CZ3-CB 3.98Å; F595-G597 VanDerWaalsContact CE2-O 3.29Å; F595-G597 WeakPolarHBondContact CE2-O 3.25Å; F595-G597 VanDerWaalsContact CZ-CA 3.46Å; F595-G597 WeakPolarHBondContact CZ-O 3.48Å; F595-Q598 HydrophobicContact CE2-CB 4.07Å; F595-Q598 HydrophobicContact CZ-CB 3.83Å; F595-Q598 HydrophobicContact CZ-CG 3.93Å; F595-R619 HydrophobicContact CD1-CG 4.06Å; F595-R619 HydrophobicContact CE1-CG 3.65Å; F595-R619 HydrophobicContact CE2-CG 4.21Å; F595-R619 HydrophobicContact CG-CG 4.49Å; F595-R619 HydrophobicContact CZ-CG 3.72Å |
| 596 | L | 93.4 | Very high | 91 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -28.9 | 179.6 | -62.3 | -178.6 | 0 | 0 | 0 | 112.7 | L531 Q534 P542 V585 N587 V627 | L531-L596 HydrophobicContact CB-CD1 4.46Å; L531-L596 HydrophobicContact CD1-CD1 4.3Å; Q534-L596 HydrophobicContact CG-CD2 4.17Å; P542-L596 HydrophobicContact CB-CD1 4.49Å; V585-L596 HydrophobicContact CB-CB 4.31Å; V585-L596 HydrophobicContact CG1-CB 4.31Å; V585-L596 HydrophobicContact CG1-CD1 4.13Å; V585-L596 WeakPolarHBondContact O-CB 3.42Å; V585-L596 PolarHBondContact O-N 3.11Å; N587-L596 HydrophobicContact CB-CD1 4.03Å; N587-L596 HydrophobicContact CB-CD2 4.12Å; N587-L596 HydrophobicContact CB-CG 4.09Å; L596-V627 VanDerWaalsContact O-CG2 3.24Å; L596-V627 WeakPolarHBondContact O-CG2 3.29Å |
| 597 | G | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.5 | 174.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q584 V585 F595 R617 | Q584-G597 WeakPolarHBondContact CA-O 3.26Å; V585-G597 PolarHBondContact N-O 3.38Å; V585-G597 PolarHBondContact O-N 2.84Å; F595-G597 VanDerWaalsContact CE2-O 3.29Å; F595-G597 WeakPolarHBondContact CE2-O 3.25Å; F595-G597 VanDerWaalsContact CZ-CA 3.46Å; F595-G597 WeakPolarHBondContact CZ-O 3.48Å; G597-R617 CarbonylContact C-O 3.58Å; G597-R617 WeakPolarHBondContact CA-O 3.46Å |
| 598 | Q | 96.4 | Very high | 90.3 | Very high | 12 Ų | 12 | 51.7 Ų | 51.7 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 159.9 | 174.7 | 67.8 | 179.8 | 13.6 | 0 | 0 | 113.2 | I582 V583 Q584 F595 R617 G618 G620 | I582-Q598 HydrophobicContact CG2-CB 4.37Å; V583-Q598 CarbonylContact O-C 3.58Å; V583-Q598 WeakPolarHBondContact O-CA 3.44Å; V583-Q598 WeakPolarHBondContact O-CB 3.23Å; Q584-Q598 HydrophobicContact CB-CB 4.47Å; Q584-Q598 HydrophobicContact CG-CB 3.99Å; Q584-Q598 VanDerWaalsContact NE2-OE1 3.11Å; F595-Q598 HydrophobicContact CE2-CB 4.07Å; F595-Q598 HydrophobicContact CZ-CB 3.83Å; F595-Q598 HydrophobicContact CZ-CG 3.93Å; Q598-R617 PolarHBondContact N-O 3.2Å; Q598-R617 PolarHBondContact O-N 2.79Å; Q598-G618 PolarHBondContact NE2-O 3.49Å; Q598-G620 PolarHBondContact NE2-O 3.18Å |
| 599 | A | 95.3 | Very high | 90 | Very high | 7 Ų | 7 | 55.9 Ų | 55.9 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 140.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V583 L614 I631 | V583-A599 PolarHBondContact N-O 2.97Å; V583-A599 PolarHBondContact O-N 2.9Å; A599-L614 HydrophobicContact CB-CB 4.33Å; A599-L614 HydrophobicContact CB-CD1 4.14Å; A599-I631 HydrophobicContact CB-CG2 3.78Å |
| 600 | L | 94.4 | Very high | 90 | Very high | 32 Ų | 32 | 60 Ų | 60 | 17% | 0.168 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 108.9 | -179.2 | -65.1 | 175.9 | 0 | 0 | 0 | 111.1 | P580 I582 G620 R622 | P580-L600 HydrophobicContact CB-CB 4.48Å; P580-L600 HydrophobicContact CG-CD2 4.28Å; I582-L600 HydrophobicContact CB-CD2 4.08Å; I582-L600 HydrophobicContact CD1-CD2 4.23Å; I582-L600 HydrophobicContact CG1-CD2 3.65Å; I582-L600 HydrophobicContact CG2-CD2 3.83Å; L600-G620 WeakPolarHBondContact CD1-O 3.43Å; L600-R622 HydrophobicContact CB-CG 4.04Å; L600-R622 HydrophobicContact CD1-CG 3.91Å; L600-R622 PolarHBondContact O-NE 3.15Å; L600-R622 PolarHBondContact O-NH2 2.95Å |
| 601 | L | 93.4 | Very high | 90.5 | Very high | 11 Ų | 11 | 57.9 Ų | 57.9 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 127.1 | -176.4 | -61.2 | 165.7 | 0 | 0 | 0 | 110.1 | I523 P580 I581 V583 L614 V633 V635 | I523-L601 HydrophobicContact CD1-CD1 3.37Å; P580-L601 CarbonylContact C-O 3.48Å; P580-L601 VanDerWaalsContact CA-O 3.27Å; P580-L601 WeakPolarHBondContact CA-O 3.39Å; P580-L601 WeakPolarHBondContact CB-O 3.4Å; I581-L601 HydrophobicContact CB-CB 4.22Å; I581-L601 PolarHBondContact N-O 3.42Å; I581-L601 PolarHBondContact O-N 3.15Å; V583-L601 HydrophobicContact CG2-CD1 3.71Å; L601-L614 HydrophobicContact CD2-CD1 3.37Å; L601-L614 HydrophobicContact CG-CD1 4.42Å; L601-V633 HydrophobicContact CD1-CG2 4.31Å; L601-V633 HydrophobicContact CD2-CG2 4.2Å; L601-V635 HydrophobicContact CD1-CG2 3.89Å; L601-V635 HydrophobicContact CD2-CG2 4.42Å |
| 602 | A | 91.3 | Very high | 91.1 | Very high | 33 Ų | 33 | 52 Ų | 52 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | trans | -70.9 | -40.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | R574 R622 | R574-A602 PolarHBondContact NH1-O 3.08Å; R574-A602 VanDerWaalsContact NH1-O 3.15Å; R574-A602 PolarHBondContact NH2-O 3.33Å; A602-R622 VanDerWaalsContact N-NH2 3.13Å | ||
| 603 | A | 89.9 | Confident | 91.6 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | trans | 55.8 | 58.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T521 R574 I581 D607 V635 S637 | T521-A603 HydrophobicContact CG2-CB 3.75Å; R574-A603 PolarHBondContact NH1-O 2.81Å; I581-A603 HydrophobicContact CD1-CB 4.01Å; A603-D607 VanDerWaalsContact CA-OD2 3.22Å; A603-D607 WeakPolarHBondContact CA-OD2 3.37Å; A603-D607 PolarHBondContact N-OD2 2.88Å; A603-D607 VanDerWaalsContact N-OD2 3.07Å; A603-V635 HydrophobicContact CB-CG1 3.65Å; A603-S637 WeakPolarHBondContact O-CB 3.3Å; A603-S637 PolarHBondContact O-OG 3.14Å | ||
| 604 | S | 90.4 | Very high | 91.7 | Very high | 47 Ų | 47 | 51.8 Ų | 51.8 | 33% | 0.329 | 29% | 0.29 | S | S | . | . | trans | -83.1 | 150 | 171.6 | -64.7 | 0 | 0 | 0 | 0 | 110 | G606 D607 | S604-G606 PolarHBondContact O-N 3.19Å; S604-G606 VanDerWaalsContact O-N 3.15Å; S604-D607 PolarHBondContact N-OD2 2.8Å; S604-D607 VanDerWaalsContact O-CB 3.31Å; S604-D607 WeakPolarHBondContact O-CB 3.38Å; S604-D607 PolarHBondContact O-N 3.41Å | ||
| 605 | P | 88.6 | Confident | 91.8 | Very high | 41 Ų | 41 | 50.6 Ų | 50.6 | 27% | 0.266 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25.5 | 179.1 | -26.7 | 34.6 | 0 | 0 | 0 | 114.5 | ||
| 606 | G | 86.5 | Confident | 91.9 | Very high | 76 Ų | 76 | 48.6 Ų | 48.6 | 78% | 0.784 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -2.2 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | S604 | S604-G606 PolarHBondContact O-N 3.19Å; S604-G606 VanDerWaalsContact O-N 3.15Å |
| 607 | D | 87.3 | Confident | 92 | Very high | 57 Ų | 57 | 52 Ų | 52 | 31% | 0.305 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -64.3 | 149.2 | 176.1 | -70.8 | -12.2 | 0 | 0 | 0 | 110.1 | A603 S604 R609 | A603-D607 VanDerWaalsContact CA-OD2 3.22Å; A603-D607 WeakPolarHBondContact CA-OD2 3.37Å; A603-D607 PolarHBondContact N-OD2 2.88Å; A603-D607 VanDerWaalsContact N-OD2 3.07Å; S604-D607 PolarHBondContact N-OD2 2.8Å; S604-D607 VanDerWaalsContact O-CB 3.31Å; S604-D607 WeakPolarHBondContact O-CB 3.38Å; S604-D607 PolarHBondContact O-N 3.41Å; D607-R609 PolarHBondContact O-N 3.14Å |
| 608 | P | 86.2 | Confident | 91.8 | Very high | 81 Ų | 81 | 52.8 Ų | 52.8 | 53% | 0.526 | 30% | 0.296 | S | S | . | . | trans | -56.9 | 130.4 | 177.9 | -20.7 | 28.9 | 0 | 0 | 0 | 111.4 | E610 Q612 | P608-E610 VanDerWaalsContact C-N 3.26Å; P608-E610 PolarHBondContact O-N 2.97Å; P608-Q612 PolarHBondContact O-NE2 3.26Å | ||
| 609 | R | 86.7 | Confident | 91.5 | Very high | 118 Ų | 118 | 59.8 Ų | 59.8 | 45% | 0.445 | 32% | 0.322 | S | S | . | . | trans | -82.8 | -4.9 | -179.2 | -64.3 | -179.3 | -179.3 | -161.1 | -4.3 | 113.5 | D607 K634 F636 | D607-R609 PolarHBondContact O-N 3.14Å; R609-K634 WeakPolarHBondContact O-CE 3.44Å; R609-F636 HydrophobicContact CB-CD1 4.19Å; R609-F636 HydrophobicContact CB-CE1 3.73Å; R609-F636 HydrophobicContact CB-CZ 4.36Å; R609-F636 HydrophobicContact CG-CD1 4.03Å; R609-F636 HydrophobicContact CG-CE1 4.04Å | ||
| 610 | E | 88.8 | Confident | 90.7 | Very high | 155 Ų | 155 | 61.8 Ų | 61.8 | 72% | 0.724 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -75.3 | 167.2 | 176.4 | -66.1 | -178.7 | -176.4 | 0 | 0 | 111.4 | P608 | P608-E610 VanDerWaalsContact C-N 3.26Å; P608-E610 PolarHBondContact O-N 2.97Å |
| 611 | Q | 91.8 | Very high | 89.7 | Confident | 106 Ų | 106 | 63.6 Ų | 63.6 | 50% | 0.495 | 36% | 0.358 | S | S | . | . | trans | -70.1 | 132.1 | 176.8 | -174.7 | 171 | -9.7 | 0 | 0 | 109.6 | T632 | Q611-T632 HydrophobicContact CG-CG2 3.38Š| ||
| 612 | Q | 93.7 | Very high | 88.6 | Confident | 52 Ų | 52 | 70 Ų | 70 | 24% | 0.243 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 134.3 | -176.5 | -62.6 | 178.6 | -6.4 | 0 | 0 | 110.1 | P608 T632 V633 | P608-Q612 PolarHBondContact O-NE2 3.26Å; Q612-T632 CarbonylContact O-C 3.57Å; Q612-T632 VanDerWaalsContact O-CA 3.31Å; Q612-T632 WeakPolarHBondContact O-CA 3.36Å; Q612-V633 PolarHBondContact N-O 3.5Å; Q612-V633 PolarHBondContact O-N 3.45Å |
| 613 | T | 95.3 | Very high | 88.1 | Confident | 82 Ų | 82 | 76.6 Ų | 76.6 | 50% | 0.503 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 122.2 | 171.7 | -60.5 | 0 | 0 | 0 | 0 | 109.3 | R630 I631 T632 | T613-R630 HydrophobicContact CG2-CB 3.75Å; T613-R630 HydrophobicContact CG2-CG 4.38Å; T613-I631 CarbonylContact C-O 3.53Å; T613-I631 WeakPolarHBondContact CA-O 3.21Å; T613-T632 WeakPolarHBondContact OG1-CG2 3.03Å; T613-T632 PolarHBondContact OG1-OG1 3.05Å |
| 614 | L | 94.6 | Very high | 87.8 | Confident | 50 Ų | 50 | 77.3 Ų | 77.3 | 26% | 0.262 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 135.6 | -173.8 | -57.9 | 176.2 | 0 | 0 | 0 | 110.2 | A599 L601 R630 I631 V633 | A599-L614 HydrophobicContact CB-CB 4.33Å; A599-L614 HydrophobicContact CB-CD1 4.14Å; L601-L614 HydrophobicContact CD2-CD1 3.37Å; L601-L614 HydrophobicContact CG-CD1 4.42Å; L614-R630 CarbonylContact O-C 3.26Å; L614-R630 VanDerWaalsContact O-CA 3.28Å; L614-R630 WeakPolarHBondContact O-CA 3.45Å; L614-I631 HydrophobicContact CB-CG2 4.18Å; L614-I631 PolarHBondContact N-O 3.17Å; L614-I631 PolarHBondContact O-N 3.13Å; L614-V633 HydrophobicContact CD1-CG2 4.11Å |
| 615 | Q | 96 | Very high | 87.7 | Confident | 54 Ų | 54 | 78.8 Ų | 78.8 | 25% | 0.252 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 131.6 | 172.9 | -171.5 | 60 | 44.3 | 0 | 0 | 110 | E626 V627 G629 | Q615-E626 HydrophobicContact CG-CB 4.17Å; Q615-E626 HydrophobicContact CG-CG 4.07Å; Q615-V627 PolarHBondContact NE2-O 2.53Å; Q615-G629 PolarHBondContact NE2-O 3.24Å |
| 616 | L | 96 | Very high | 87.9 | Confident | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 144.1 | 176 | -67.7 | 177.5 | 0 | 0 | 0 | 110.6 | L531 V585 V627 G629 I631 | L531-L616 HydrophobicContact CD2-CD1 3.66Å; V585-L616 HydrophobicContact CB-CD1 4.3Å; V585-L616 HydrophobicContact CG2-CD1 3.96Å; V585-L616 HydrophobicContact CG2-CD2 3.87Å; L616-V627 HydrophobicContact CB-CG2 3.7Å; L616-V627 PolarHBondContact O-N 3.06Å; L616-G629 VanDerWaalsContact CB-O 3.31Å; L616-G629 WeakPolarHBondContact CB-O 3.47Å; L616-G629 WeakPolarHBondContact CG-O 2.93Å; L616-G629 PolarHBondContact N-O 3.48Å; L616-I631 HydrophobicContact CD2-CB 3.99Å; L616-I631 HydrophobicContact CD2-CG2 3.77Å |
| 617 | R | 94.7 | Very high | 88.2 | Confident | 77 Ų | 77 | 80.5 Ų | 80.5 | 29% | 0.291 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 162.3 | 178.3 | -67.4 | -179.9 | 173.6 | -113.9 | -3.7 | 111.9 | G597 Q598 R622 A624 A625 E626 | G597-R617 CarbonylContact C-O 3.58Å; G597-R617 WeakPolarHBondContact CA-O 3.46Å; Q598-R617 PolarHBondContact N-O 3.2Å; Q598-R617 PolarHBondContact O-N 2.79Å; R617-R622 VanDerWaalsContact CD-O 3.29Å; R617-R622 WeakPolarHBondContact CD-O 3.19Å; R617-R622 PolarHBondContact NH1-O 2.57Å; R617-A624 HydrophobicContact CB-CB 4.36Å; R617-A624 WeakPolarHBondContact CD-O 3.47Å; R617-A624 PolarHBondContact NH1-O 2.92Å; R617-A625 CarbonylContact C-O 3.57Å; R617-A625 WeakPolarHBondContact CA-O 3.4Å; R617-E626 HydrophobicContact CG-CG 4.3Å; R617-E626 IonicContact CZ-OE1 3.24Å; R617-E626 IonicContact NH2-OE1 2.86Å; R617-E626 PolarHBondContact NH2-OE1 3.44Å |
| 618 | G | 91.6 | Very high | 88.5 | Confident | 16 Ų | 16 | 80.9 Ų | 80.9 | 17% | 0.165 | 42% | 0.42 | C | S | . | . | trans | -60.5 | 175.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q598 A625 | Q598-G618 PolarHBondContact NE2-O 3.49Å; G618-A625 PolarHBondContact N-O 3.26Å | ||
| 619 | R | 88.4 | Confident | 88.9 | Confident | 160 Ų | 160 | 77.4 Ų | 77.4 | 60% | 0.604 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -67.8 | 139.3 | 175.3 | -69.7 | -171 | -176.5 | -166.8 | 8.1 | 110.6 | F595 | F595-R619 HydrophobicContact CD1-CG 4.06Å; F595-R619 HydrophobicContact CE1-CG 3.65Å; F595-R619 HydrophobicContact CE2-CG 4.21Å; F595-R619 HydrophobicContact CG-CG 4.49Å; F595-R619 HydrophobicContact CZ-CG 3.72Å |
| 620 | G | 78.4 | Confident | 89.3 | Confident | 49 Ų | 49 | 78.7 Ų | 78.7 | 51% | 0.505 | 40% | 0.404 | S | S | . | . | S | Bend | trans | 128.7 | -142.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q598 L600 | Q598-G620 PolarHBondContact NE2-O 3.18Å; L600-G620 WeakPolarHBondContact CD1-O 3.43Å |
| 621 | S | 74.4 | Confident | 89.7 | Confident | 69 Ų | 69 | 71.3 Ų | 71.3 | 48% | 0.483 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -76.1 | 176.5 | -179.5 | 72 | 0 | 0 | 0 | 0 | 112.4 | E623 A624 | S621-E623 PolarHBondContact O-N 2.93Å; S621-E623 VanDerWaalsContact O-N 3.16Å; S621-E623 PolarHBondContact OG-N 2.92Å; S621-A624 WeakPolarHBondContact O-CB 3.5Å; S621-A624 PolarHBondContact O-N 3.38Å; S621-A624 VanDerWaalsContact O-N 3.14Å |
| 622 | R | 70 | Confident | 89.9 | Confident | 145 Ų | 145 | 66.6 Ų | 66.6 | 55% | 0.547 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -18.4 | 173.7 | -76.6 | -177.5 | 168.4 | 178.4 | -4.1 | 113.6 | L600 A602 R617 A624 | L600-R622 HydrophobicContact CB-CG 4.04Å; L600-R622 HydrophobicContact CD1-CG 3.91Å; L600-R622 PolarHBondContact O-NE 3.15Å; L600-R622 PolarHBondContact O-NH2 2.95Å; A602-R622 VanDerWaalsContact N-NH2 3.13Å; R617-R622 VanDerWaalsContact CD-O 3.29Å; R617-R622 WeakPolarHBondContact CD-O 3.19Å; R617-R622 PolarHBondContact NH1-O 2.57Å; R622-A624 VanDerWaalsContact C-N 3.34Å |
| 623 | E | 80.1 | Confident | 90 | Very high | 172 Ų | 172 | 64.1 Ų | 64.1 | 80% | 0.804 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -0.8 | -179.7 | -63.8 | 170.5 | -176 | 0 | 0 | 112.8 | S621 | S621-E623 PolarHBondContact O-N 2.93Å; S621-E623 VanDerWaalsContact O-N 3.16Å; S621-E623 PolarHBondContact OG-N 2.92Å |
| 624 | A | 84.1 | Confident | 89.9 | Confident | 17 Ų | 17 | 63 Ų | 63 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -55.9 | 147.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | R617 S621 R622 | R617-A624 HydrophobicContact CB-CB 4.36Å; R617-A624 WeakPolarHBondContact CD-O 3.47Å; R617-A624 PolarHBondContact NH1-O 2.92Å; S621-A624 WeakPolarHBondContact O-CB 3.5Å; S621-A624 PolarHBondContact O-N 3.38Å; S621-A624 VanDerWaalsContact O-N 3.14Å; R622-A624 VanDerWaalsContact C-N 3.34Å |
| 625 | A | 88.8 | Confident | 89.9 | Confident | 77 Ų | 77 | 61.3 Ų | 61.3 | 64% | 0.636 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 141.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R617 G618 | R617-A625 CarbonylContact C-O 3.57Å; R617-A625 WeakPolarHBondContact CA-O 3.4Å; G618-A625 PolarHBondContact N-O 3.26Å |
| 626 | E | 92.3 | Very high | 89.9 | Confident | 116 Ų | 116 | 59.7 Ų | 59.7 | 54% | 0.542 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 139 | 174.8 | -61.1 | -169.5 | 162.2 | 0 | 0 | 110.1 | Q615 R617 | Q615-E626 HydrophobicContact CG-CB 4.17Å; Q615-E626 HydrophobicContact CG-CG 4.07Å; R617-E626 HydrophobicContact CG-CG 4.3Å; R617-E626 IonicContact CZ-OE1 3.24Å; R617-E626 IonicContact NH2-OE1 2.86Å; R617-E626 PolarHBondContact NH2-OE1 3.44Å |
| 627 | V | 93.4 | Very high | 89.8 | Confident | 37 Ų | 37 | 60 Ų | 60 | 22% | 0.224 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 159.5 | 175.6 | -62.6 | 0 | 0 | 0 | 0 | 109 | L596 Q615 L616 G629 | L596-V627 VanDerWaalsContact O-CG2 3.24Å; L596-V627 WeakPolarHBondContact O-CG2 3.29Å; Q615-V627 PolarHBondContact NE2-O 2.53Å; L616-V627 HydrophobicContact CB-CG2 3.7Å; L616-V627 PolarHBondContact O-N 3.06Å; V627-G629 PolarHBondContact O-N 3.36Å |
| 628 | P | 92.8 | Very high | 89.8 | Confident | 65 Ų | 65 | 56.7 Ų | 56.7 | 42% | 0.422 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 134.4 | 179.6 | -26.2 | 35.4 | 0 | 0 | 0 | 112.6 | G530 Q532 | G530-P628 CarbonylContact O-C 3.58Å; Q532-P628 HydrophobicContact CB-CB 4.18Å; Q532-P628 HydrophobicContact CB-CG 4.33Å |
| 629 | G | 94.4 | Very high | 90 | Very high | 8 Ų | 8 | 60.3 Ų | 60.3 | 8% | 0.082 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 107 | 156.3 | 172 | 0 | 0 | 0 | 0 | 0 | 114.8 | E529 G530 Q615 L616 V627 | E529-G629 CarbonylContact O-C 3.49Å; E529-G629 WeakPolarHBondContact O-CA 3.33Å; G530-G629 WeakPolarHBondContact O-CA 3.26Å; G530-G629 PolarHBondContact O-N 3.27Å; G530-G629 VanDerWaalsContact O-N 3.1Å; Q615-G629 PolarHBondContact NE2-O 3.24Å; L616-G629 VanDerWaalsContact CB-O 3.31Å; L616-G629 WeakPolarHBondContact CB-O 3.47Å; L616-G629 WeakPolarHBondContact CG-O 2.93Å; L616-G629 PolarHBondContact N-O 3.48Å; V627-G629 PolarHBondContact O-N 3.36Å |
| 630 | R | 96.5 | Very high | 90.3 | Very high | 146 Ų | 146 | 56.6 Ų | 56.6 | 55% | 0.551 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 147.4 | -179.6 | -67.5 | 178.3 | 176.1 | -179.4 | 0.6 | 109.1 | A528 E529 T613 L614 | A528-R630 CarbonylContact C-O 3.54Å; A528-R630 WeakPolarHBondContact CA-O 3.2Å; E529-R630 PolarHBondContact N-O 2.99Å; E529-R630 PolarHBondContact O-N 3.21Å; T613-R630 HydrophobicContact CG2-CB 3.75Å; T613-R630 HydrophobicContact CG2-CG 4.38Å; L614-R630 CarbonylContact O-C 3.26Å; L614-R630 VanDerWaalsContact O-CA 3.28Å; L614-R630 WeakPolarHBondContact O-CA 3.45Å |
| 631 | I | 96.3 | Very high | 91 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 133.5 | 176 | -169.2 | 163.8 | 0 | 0 | 0 | 110.2 | I525 S527 A528 V544 V583 V585 A599 T613 L614 L616 V633 | I525-I631 HydrophobicContact CG2-CD1 3.98Å; I525-I631 HydrophobicContact CG2-CG1 4.14Å; S527-I631 WeakPolarHBondContact O-CA 3.31Å; S527-I631 WeakPolarHBondContact O-CG1 3.2Å; A528-I631 HydrophobicContact CB-CG1 4.39Å; V544-I631 HydrophobicContact CG2-CD1 4.38Å; V583-I631 HydrophobicContact CB-CD1 4.4Å; V583-I631 HydrophobicContact CG1-CD1 3.37Å; V585-I631 HydrophobicContact CG2-CD1 3.88Å; A599-I631 HydrophobicContact CB-CG2 3.78Å; T613-I631 CarbonylContact C-O 3.53Å; T613-I631 WeakPolarHBondContact CA-O 3.21Å; L614-I631 HydrophobicContact CB-CG2 4.18Å; L614-I631 PolarHBondContact N-O 3.17Å; L614-I631 PolarHBondContact O-N 3.13Å; L616-I631 HydrophobicContact CD2-CB 3.99Å; L616-I631 HydrophobicContact CD2-CG2 3.77Å; I631-V633 HydrophobicContact CD1-CG1 4.4Å; I631-V633 HydrophobicContact CG1-CG1 3.96Å |
| 632 | T | 96.3 | Very high | 91.9 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.6 | -179.3 | -55.3 | 0 | 0 | 0 | 0 | 109.8 | H526 S527 Q611 Q612 T613 | H526-T632 HydrophobicContact CB-CG2 4.27Å; H526-T632 PolarHBondContact N-O 3.44Å; S527-T632 PolarHBondContact N-O 3.17Å; S527-T632 PolarHBondContact O-N 2.78Å; S527-T632 PolarHBondContact OG-OG1 2.99Å; Q611-T632 HydrophobicContact CG-CG2 3.38Å; Q612-T632 CarbonylContact O-C 3.57Å; Q612-T632 VanDerWaalsContact O-CA 3.31Å; Q612-T632 WeakPolarHBondContact O-CA 3.36Å; T613-T632 WeakPolarHBondContact OG1-CG2 3.03Å; T613-T632 PolarHBondContact OG1-OG1 3.05Å |
| 633 | V | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 157.9 | -171.4 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | K524 I525 L601 Q612 L614 I631 V635 | K524-V633 CarbonylContact O-C 3.59Å; K524-V633 WeakPolarHBondContact O-CA 3.45Å; I525-V633 HydrophobicContact CD1-CB 4.26Å; I525-V633 HydrophobicContact CD1-CG1 3.49Å; I525-V633 VanDerWaalsContact CD1-CG1 3.49Å; L601-V633 HydrophobicContact CD1-CG2 4.31Å; L601-V633 HydrophobicContact CD2-CG2 4.2Å; Q612-V633 PolarHBondContact N-O 3.5Å; Q612-V633 PolarHBondContact O-N 3.45Å; L614-V633 HydrophobicContact CD1-CG2 4.11Å; I631-V633 HydrophobicContact CD1-CG1 4.4Å; I631-V633 HydrophobicContact CG1-CG1 3.96Å; V633-V635 HydrophobicContact CG2-CG2 4.26Å |
| 634 | K | 94.5 | Very high | 93.2 | Very high | 60 Ų | 60 | 40.3 Ų | 40.3 | 26% | 0.261 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 129.9 | 169.9 | -164.4 | 180 | -171.1 | -169 | 0 | 108.7 | I523 K524 R609 F636 | I523-K634 CarbonylContact C-O 3.59Å; I523-K634 WeakPolarHBondContact CA-O 3.44Å; K524-K634 HydrophobicContact CB-CB 4.45Å; K524-K634 PolarHBondContact N-O 2.97Å; K524-K634 PolarHBondContact O-N 2.85Å; R609-K634 WeakPolarHBondContact O-CE 3.44Å; K634-F636 HydrophobicContact CD-CE2 3.73Å; K634-F636 HydrophobicContact CD-CZ 4.19Å; K634-F636 VanDerWaalsContact CE-CZ 3.42Å; K634-F636 HydrophobicContact CG-CD2 4.5Å; K634-F636 HydrophobicContact CG-CE2 3.74Å; K634-F636 HydrophobicContact CG-CZ 4.38Å |
| 635 | V | 94.5 | Very high | 93.7 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 134.8 | -172 | -174.2 | 0 | 0 | 0 | 0 | 110 | T521 Q522 I523 L601 A603 V633 | T521-V635 HydrophobicContact CG2-CG1 3.83Å; Q522-V635 WeakPolarHBondContact O-CA 3.37Å; I523-V635 HydrophobicContact CD1-CG2 4.28Å; I523-V635 HydrophobicContact CG1-CG2 4.16Å; L601-V635 HydrophobicContact CD1-CG2 3.89Å; L601-V635 HydrophobicContact CD2-CG2 4.42Å; A603-V635 HydrophobicContact CB-CG1 3.65Å; V633-V635 HydrophobicContact CG2-CG2 4.26Å |
| 636 | F | 94.9 | Very high | 94 | Very high | 21 Ų | 21 | 39.6 Ų | 39.6 | 9% | 0.092 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 130.7 | 172.2 | -66.8 | -93 | 0 | 0 | 0 | 108.8 | T443 V444 T521 Q522 R609 K634 L644 | T443-F636 HydrophobicContact CG2-CD1 4.4Å; V444-F636 HydrophobicContact CG1-CD2 3.57Å; V444-F636 HydrophobicContact CG1-CE2 3.43Å; V444-F636 VanDerWaalsContact CG1-CE2 3.43Å; T521-F636 CarbonylContact C-O 3.57Å; T521-F636 VanDerWaalsContact CA-O 3.25Å; T521-F636 WeakPolarHBondContact CA-O 3.41Å; Q522-F636 HydrophobicContact CB-CB 4.36Å; Q522-F636 PolarHBondContact N-O 3.31Å; Q522-F636 PolarHBondContact O-N 3.22Å; R609-F636 HydrophobicContact CB-CD1 4.19Å; R609-F636 HydrophobicContact CB-CE1 3.73Å; R609-F636 HydrophobicContact CB-CZ 4.36Å; R609-F636 HydrophobicContact CG-CD1 4.03Å; R609-F636 HydrophobicContact CG-CE1 4.04Å; K634-F636 HydrophobicContact CD-CE2 3.73Å; K634-F636 HydrophobicContact CD-CZ 4.19Å; K634-F636 VanDerWaalsContact CE-CZ 3.42Å; K634-F636 HydrophobicContact CG-CD2 4.5Å; K634-F636 HydrophobicContact CG-CE2 3.74Å; K634-F636 HydrophobicContact CG-CZ 4.38Å; F636-L644 HydrophobicContact CB-CD1 4.23Å; F636-L644 HydrophobicContact CB-CD2 4.41Å |
| 637 | S | 95.2 | Very high | 94 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 4% | 0.042 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 143.6 | 175.2 | -62.4 | 0 | 0 | 0 | 0 | 111.1 | V520 T521 A603 | V520-S637 CarbonylContact O-C 3.51Å; V520-S637 VanDerWaalsContact O-CA 3.27Å; V520-S637 WeakPolarHBondContact O-CA 3.48Å; T521-S637 WeakPolarHBondContact CB-OG 3.44Å; T521-S637 VanDerWaalsContact CG2-OG 3.25Å; T521-S637 WeakPolarHBondContact CG2-OG 3.41Å; T521-S637 PolarHBondContact OG1-OG 3.11Å; A603-S637 WeakPolarHBondContact O-CB 3.3Å; A603-S637 PolarHBondContact O-OG 3.14Å |
| 638 | S | 95.1 | Very high | 94.1 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 6% | 0.056 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 143.7 | 173.9 | -174.2 | 0 | 0 | 0 | 0 | 110.9 | R519 V520 D640 E643 | R519-S638 CarbonylContact C-O 3.52Å; R519-S638 VanDerWaalsContact CA-O 3.31Å; R519-S638 WeakPolarHBondContact CA-O 3.48Å; R519-S638 WeakPolarHBondContact CG-O 3.26Å; V520-S638 PolarHBondContact N-O 2.81Å; V520-S638 PolarHBondContact O-N 3.27Å; S638-D640 VanDerWaalsContact C-N 3.27Å; S638-D640 PolarHBondContact OG-N 3.02Å; S638-D640 PolarHBondContact OG-O 2.88Å; S638-E643 WeakPolarHBondContact CB-OE2 3.41Å; S638-E643 PolarHBondContact OG-OE2 2.99Å |
| 639 | D | 95.3 | Very high | 94.2 | Very high | 92 Ų | 92 | 33.4 Ų | 33.4 | 49% | 0.492 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -81.4 | -12.5 | 169.7 | -65 | -21.7 | 0 | 0 | 0 | 111.4 | R519 | R519-D639 IonicContact CZ-OD1 2.8Å; R519-D639 VanDerWaalsContact CZ-OD1 3.24Å; R519-D639 IonicContact NE-OD1 3.75Å; R519-D639 PolarHBondContact NE-OD1 2.84Å; R519-D639 IonicContact NH2-OD1 3.88Å; R519-D639 PolarHBondContact NH2-OD1 2.85Å; R519-D639 IonicContact NH2-OD2 3.19Å; R519-D639 PolarHBondContact NH2-OD2 2.98Å |
| 640 | D | 94.4 | Very high | 94.1 | Very high | 81 Ų | 81 | 35.1 Ų | 35.1 | 43% | 0.433 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -87 | 111.3 | 165.5 | -177.2 | 5.8 | 0 | 0 | 0 | 110.5 | V520 S638 V642 E643 | V520-D640 VanDerWaalsContact CG1-O 3.32Å; V520-D640 WeakPolarHBondContact CG1-O 3.49Å; S638-D640 VanDerWaalsContact C-N 3.27Å; S638-D640 PolarHBondContact OG-N 3.02Å; S638-D640 PolarHBondContact OG-O 2.88Å; D640-V642 PolarHBondContact O-N 2.57Å; D640-V642 VanDerWaalsContact O-N 3.09Å; D640-V642 WeakPolarHBondContact OD1-CG2 3.26Å; D640-V642 PolarHBondContact OD1-N 2.76Å; D640-E643 HydrophobicContact CB-CB 4.22Å; D640-E643 PolarHBondContact O-N 3.39Å; D640-E643 VanDerWaalsContact O-N 3.08Å |
| 641 | L | 93.9 | Very high | 94 | Very high | 11 Ų | 11 | 27.1 Ų | 27.1 | 6% | 0.058 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -11.2 | -178.1 | -58.4 | -173.7 | 0 | 0 | 0 | 114.1 | K504 Y516 P517 V520 Y573 | K504-L641 HydrophobicContact CB-CB 4.14Å; K504-L641 HydrophobicContact CD-CB 3.97Å; K504-L641 HydrophobicContact CD-CD1 4.23Å; Y516-L641 HydrophobicContact CD1-CD1 4.48Å; Y516-L641 HydrophobicContact CE1-CD1 3.56Å; P517-L641 HydrophobicContact CB-CD1 4.13Å; P517-L641 HydrophobicContact CB-CD2 4.35Å; P517-L641 WeakPolarHBondContact O-CD1 3.06Å; V520-L641 HydrophobicContact CB-CD2 4.27Å; Y573-L641 HydrophobicContact CD1-CB 4.49Å; Y573-L641 HydrophobicContact CD1-CD2 4.18Å; Y573-L641 HydrophobicContact CE1-CB 4.26Å |
| 642 | V | 93.1 | Very high | 93.8 | Very high | 26 Ų | 26 | 29.2 Ų | 29.2 | 16% | 0.158 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 16.7 | 175.2 | -59.5 | 0 | 0 | 0 | 0 | 113 | H440 D503 K504 D640 | H440-V642 WeakPolarHBondContact CB-O 3.26Å; H440-V642 PolarHBondContact CD2-O 2.91Å; D503-V642 HydrophobicContact CB-CG1 3.88Å; K504-V642 HydrophobicContact CB-CG1 4.25Å; K504-V642 HydrophobicContact CD-CG1 4.04Å; K504-V642 HydrophobicContact CG-CG1 4.31Å; D640-V642 PolarHBondContact O-N 2.57Å; D640-V642 VanDerWaalsContact O-N 3.09Å; D640-V642 WeakPolarHBondContact OD1-CG2 3.26Å; D640-V642 PolarHBondContact OD1-N 2.76Å |
| 643 | E | 90 | Very high | 93.6 | Very high | 52 Ų | 52 | 31.2 Ų | 31.2 | 24% | 0.243 | 16% | 0.161 | C | C | . | . | trans | -82.8 | -24 | 175.3 | -156.6 | -164.3 | 147.9 | 0 | 0 | 113.4 | K441 S638 D640 | K441-E643 WeakPolarHBondContact CB-O 3.33Å; K441-E643 HydrophobicContact CD-CG 4.46Å; K441-E643 WeakPolarHBondContact CD-O 3.15Å; K441-E643 IonicContact NZ-OE1 3.44Å; K441-E643 PolarHBondContact NZ-OE1 2.87Å; S638-E643 WeakPolarHBondContact CB-OE2 3.41Å; S638-E643 PolarHBondContact OG-OE2 2.99Å; D640-E643 HydrophobicContact CB-CB 4.22Å; D640-E643 PolarHBondContact O-N 3.39Å; D640-E643 VanDerWaalsContact O-N 3.08Å | ||
| 644 | L | 87.3 | Confident | 93.5 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | trans | -117.9 | 0 | -164.5 | -62.8 | -170.3 | 0 | 0 | 0 | 116.2 | R435 T443 V520 Q522 F636 | R435-L644 PolarHBondContact NH2-OXT 2.81Å; T443-L644 HydrophobicContact CG2-CD2 4.25Å; V520-L644 HydrophobicContact CG1-CB 4.05Å; V520-L644 HydrophobicContact CG1-CD1 3.9Å; V520-L644 HydrophobicContact CG1-CG 3.93Å; V520-L644 HydrophobicContact CG2-CB 4.15Å; V520-L644 HydrophobicContact CG2-CD1 4.32Å; Q522-L644 HydrophobicContact CB-CD1 4.38Å; Q522-L644 HydrophobicContact CG-CB 4.15Å; Q522-L644 HydrophobicContact CG-CD1 4.02Å; Q522-L644 PolarHBondContact NE2-OXT 3.21Å; F636-L644 HydrophobicContact CB-CD1 4.23Å; F636-L644 HydrophobicContact CB-CD2 4.41Å |
Retrieved 644 of 644 residues in 211.1 ms
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