| 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 | 23.9 | Very low | 62.3 | Low | 244 Ų | 244 | 63.7 Ų | 63.7 | 100% | 1.202 | 38% | 0.379 | S | S | * | . | 0 | 118 | 0 | -65.5 | -179.5 | -155.5 | 0 | 0 | 106.1 | S3 | M1-S3 PolarHBondContact O-N 2.62Š| |||
| 2 | A | 28.1 | Very low | 64.9 | Low | 100 Ų | 100 | 61 Ų | 61 | 83% | 0.826 | 36% | 0.363 | S | S | * | . | trans | -69 | 118.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 108 | T4 | A2-T4 PolarHBondContact O-N 2.92Š| ||
| 3 | S | 32.6 | Very low | 67 | Low | 84 Ų | 84 | 58.3 Ų | 58.3 | 59% | 0.587 | 35% | 0.348 | S | S | * | . | trans | -58.7 | 124.8 | 173.4 | 56.3 | 0 | 0 | 0 | 0 | 108.8 | M1 A5 | M1-S3 PolarHBondContact O-N 2.62Å; S3-A5 PolarHBondContact O-N 3.07Å; S3-A5 VanDerWaalsContact O-N 3.1Å | ||
| 4 | T | 43.1 | Very low | 68.5 | Low | 92 Ų | 92 | 58.3 Ų | 58.3 | 56% | 0.564 | 36% | 0.357 | S | S | * | . | trans | -71.6 | 8.2 | 178.4 | 35.6 | 0 | 0 | 0 | 0 | 113.3 | A2 G6 S7 D23 | A2-T4 PolarHBondContact O-N 2.92Å; T4-G6 PolarHBondContact O-N 3.11Å; T4-S7 PolarHBondContact O-N 3.31Å; T4-D23 VanDerWaalsContact C-CG 3.45Å; T4-D23 VanDerWaalsContact CA-OD2 3.23Å; T4-D23 WeakPolarHBondContact CA-OD2 3.34Å; T4-D23 VanDerWaalsContact CB-CG 3.45Å; T4-D23 WeakPolarHBondContact CB-OD1 3.44Å; T4-D23 WeakPolarHBondContact CB-OD2 3.43Å; T4-D23 VanDerWaalsContact O-OD2 3.05Å; T4-D23 PolarHBondContact OG1-OD1 2.92Å; T4-D23 PolarHBondContact OG1-OD2 2.96Å | ||
| 5 | A | 49.1 | Very low | 69.9 | Low | 36 Ų | 36 | 62.9 Ų | 62.9 | 30% | 0.298 | 37% | 0.373 | S | S | . | . | trans | -50 | 126.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S3 D23 K77 | S3-A5 PolarHBondContact O-N 3.07Å; S3-A5 VanDerWaalsContact O-N 3.1Å; A5-D23 WeakPolarHBondContact CA-OD2 3.25Å; A5-D23 PolarHBondContact N-OD2 3.45Å; A5-K77 PolarHBondContact O-NZ 3.32Å | ||
| 6 | G | 59.7 | Low | 71.4 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | S | Bend | trans | 75.2 | 39.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | T4 K77 | T4-G6 PolarHBondContact O-N 3.11Å; G6-K77 PolarHBondContact O-NZ 3.07Å |
| 7 | S | 79 | Confident | 72.8 | Confident | 37 Ų | 37 | 59.5 Ų | 59.5 | 26% | 0.259 | 35% | 0.346 | S | S | . | . | trans | -101.3 | 133.4 | 160.4 | -175.1 | 0 | 0 | 0 | 0 | 108.6 | T4 S22 | T4-S7 PolarHBondContact O-N 3.31Å; S7-S22 WeakPolarHBondContact O-CB 3.24Å; S7-S22 PolarHBondContact O-N 3.5Å; S7-S22 PolarHBondContact O-OG 3.48Å; S7-S22 PolarHBondContact OG-OG 2.91Å | ||
| 8 | F | 89.8 | Confident | 74 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 163.4 | 176.7 | -56.3 | -100 | 0 | 0 | 0 | 109.9 | I19 E20 Q21 I56 F184 Y186 | F8-I19 HydrophobicContact CB-CG2 4.1Å; F8-I19 HydrophobicContact CD1-CG2 3.92Å; F8-I19 HydrophobicContact CG-CG2 4.28Å; F8-E20 CarbonylContact C-O 3.52Å; F8-E20 WeakPolarHBondContact CA-O 3.44Å; F8-E20 VanDerWaalsContact CB-O 3.31Å; F8-E20 WeakPolarHBondContact CB-O 3.35Å; F8-Q21 HydrophobicContact CD1-CB 3.97Å; F8-Q21 HydrophobicContact CD1-CG 4.26Å; F8-Q21 HydrophobicContact CE1-CB 4.01Å; F8-Q21 HydrophobicContact CE1-CG 4.05Å; F8-I56 HydrophobicContact CB-CD1 4.11Å; F8-I56 HydrophobicContact CB-CG1 3.69Å; F8-I56 PolarHBondContact N-O 3.49Å; F8-I56 PolarHBondContact O-N 3.41Å; F8-F184 HydrophobicContact CD1-CD1 4.24Å; F8-F184 AromaticContact CE1-CD1 3.88Å; F8-F184 HydrophobicContact CE1-CD1 3.88Å; F8-Y186 AromaticContact CE2-CE2 3.86Å; F8-Y186 HydrophobicContact CE2-CE2 3.86Å; F8-Y186 AromaticContact CE2-CZ 3.98Å; F8-Y186 WeakPolarHBondContact CE2-OH 3.44Å; F8-Y186 HydrophobicContact CZ-CE2 4.35Å; F8-Y186 WeakPolarHBondContact CZ-OH 3.43Å |
| 9 | R | 91.9 | Very high | 75 | Confident | 93 Ų | 93 | 54.2 Ų | 54.2 | 35% | 0.351 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 129.2 | 167.5 | -43.8 | -170.9 | -156.8 | 146.8 | -7.2 | 108.6 | I19 E20 T53 | R9-I19 WeakPolarHBondContact O-CA 3.48Å; R9-E20 HydrophobicContact CB-CG 3.75Å; R9-E20 WeakPolarHBondContact CD-OE1 3.26Å; R9-E20 HydrophobicContact CG-CG 4.12Å; R9-E20 IonicContact CZ-OE1 3.33Å; R9-E20 PolarHBondContact N-O 2.93Å; R9-E20 IonicContact NE-OE1 3.43Å; R9-E20 PolarHBondContact NE-OE1 3.26Å; R9-E20 IonicContact NH1-OE1 2.76Å; R9-E20 PolarHBondContact NH1-OE1 3.01Å; R9-E20 PolarHBondContact O-N 3.33Å; R9-T53 HydrophobicContact CB-CG2 4.01Å |
| 10 | L | 94.3 | Very high | 75.8 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 116.6 | 174 | 173.8 | 65.2 | 0 | 0 | 0 | 108.2 | F17 Y18 I19 T53 I54 I56 L71 V73 I97 | L10-F17 HydrophobicContact CD1-CB 3.99Å; L10-F17 HydrophobicContact CD1-CD1 4.28Å; L10-F17 HydrophobicContact CD1-CG 4.45Å; L10-Y18 CarbonylContact C-O 3.57Å; L10-Y18 WeakPolarHBondContact CA-O 3.02Å; L10-I19 HydrophobicContact CD1-CD1 4.37Å; L10-I19 HydrophobicContact CD1-CG1 3.67Å; L10-T53 WeakPolarHBondContact O-CA 3.4Å; L10-I54 HydrophobicContact CB-CG1 3.92Å; L10-I54 HydrophobicContact CD2-CD1 4.06Å; L10-I54 HydrophobicContact CD2-CG1 4.18Å; L10-I54 HydrophobicContact CG-CG1 4.35Å; L10-I54 PolarHBondContact N-O 3.45Å; L10-I54 PolarHBondContact O-N 2.92Å; L10-I56 HydrophobicContact CB-CD1 4.1Å; L10-I56 HydrophobicContact CB-CG1 4.45Å; L10-I56 HydrophobicContact CB-CG2 4.1Å; L10-L71 HydrophobicContact CD1-CD2 4.12Å; L10-L71 HydrophobicContact CD2-CD2 4.35Å; L10-V73 HydrophobicContact CD2-CG1 4.36Å; L10-I97 HydrophobicContact CD2-CD1 3.48Å; L10-I97 VanDerWaalsContact CD2-CD1 3.48Å |
| 11 | H | 94.2 | Very high | 76.2 | Confident | 13 Ų | 13 | 51.9 Ų | 51.9 | 6% | 0.06 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 124 | 170.5 | -44 | -94.3 | 0 | 0 | 0 | 109.5 | F17 Y18 E20 V47 A51 E52 T53 | H11-F17 WeakPolarHBondContact O-CA 3.27Å; H11-Y18 HydrophobicContact CB-CD2 4.49Å; H11-Y18 PolarHBondContact N-O 3.06Å; H11-Y18 PolarHBondContact O-N 2.8Å; H11-E20 IonicContact CE1-OE1 3.75Å; H11-E20 VanDerWaalsContact NE2-CG 3.32Å; H11-E20 WeakPolarHBondContact NE2-CG 3.41Å; H11-E20 IonicContact NE2-OE1 3.41Å; H11-E20 PolarHBondContact NE2-OE1 3.48Å; H11-E20 IonicContact NE2-OE2 3.72Å; H11-V47 HydrophobicContact CB-CG1 3.91Å; H11-A51 HydrophobicContact CB-CB 3.74Å; H11-E52 CarbonylContact C-O 3.51Å; H11-E52 WeakPolarHBondContact CA-O 3.44Å; H11-T53 VanDerWaalsContact CE1-CG2 3.45Å; H11-T53 WeakPolarHBondContact CE1-CG2 3.49Å; H11-T53 WeakPolarHBondContact ND1-CG2 3.43Å; H11-T53 PolarHBondContact ND1-OG1 3.4Å |
| 12 | T | 93.2 | Very high | 78.6 | Confident | 31 Ų | 31 | 42 Ų | 42 | 19% | 0.19 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 126.1 | -177.8 | -60.5 | 0 | 0 | 0 | 0 | 110.5 | F17 E52 | T12-F17 HydrophobicContact CG2-CD1 3.96Å; T12-F17 HydrophobicContact CG2-CE1 3.68Å; T12-E52 PolarHBondContact N-O 3.39Å; T12-E52 PolarHBondContact O-N 3.03Å; T12-E52 VanDerWaalsContact O-N 3.1Å |
| 13 | T | 92.1 | Very high | 80.2 | Confident | 26 Ų | 26 | 40 Ų | 40 | 16% | 0.16 | 23% | 0.227 | C | C | . | . | trans | -118 | -179.9 | 170.7 | 68.4 | 0 | 0 | 0 | 0 | 110.5 | E15 K16 Y18 R34 P48 A51 | T13-E15 VanDerWaalsContact C-N 3.26Å; T13-E15 PolarHBondContact O-N 3.39Å; T13-K16 PolarHBondContact N-O 3.27Å; T13-K16 WeakPolarHBondContact OG1-CA 3.35Å; T13-K16 PolarHBondContact OG1-N 2.66Å; T13-K16 PolarHBondContact OG1-O 2.85Å; T13-Y18 HydrophobicContact CG2-CD2 4.32Å; T13-Y18 HydrophobicContact CG2-CE2 3.82Å; T13-R34 PolarHBondContact O-NH1 3.29Å; T13-P48 HydrophobicContact CG2-CB 4.36Å; T13-P48 HydrophobicContact CG2-CG 4.04Å; T13-A51 HydrophobicContact CG2-CB 3.63Å | ||
| 14 | A | 87.4 | Confident | 81.3 | Confident | 58 Ų | 58 | 41.8 Ų | 41.8 | 48% | 0.479 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -64.2 | -33.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 15 | E | 89.8 | Confident | 81.8 | Confident | 127 Ų | 127 | 44.7 Ų | 44.7 | 59% | 0.593 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -112.1 | -24 | -169.6 | -64 | 176.7 | 176.9 | 0 | 0 | 112.8 | T13 R34 | T13-E15 VanDerWaalsContact C-N 3.26Å; T13-E15 PolarHBondContact O-N 3.39Å; E15-R34 WeakPolarHBondContact O-CA 3.41Å; E15-R34 WeakPolarHBondContact O-CB 3.33Å; E15-R34 WeakPolarHBondContact O-CG 3.49Å; E15-R34 PolarHBondContact O-N 2.83Å |
| 16 | K | 93.6 | Very high | 82.2 | Confident | 68 Ų | 68 | 44.5 Ų | 44.5 | 30% | 0.296 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 147.8 | -171.1 | -66.4 | 178.3 | 174.4 | -172.5 | 0 | 112.9 | T13 Y18 V31 I32 D33 | T13-K16 PolarHBondContact N-O 3.27Å; T13-K16 WeakPolarHBondContact OG1-CA 3.35Å; T13-K16 PolarHBondContact OG1-N 2.66Å; T13-K16 PolarHBondContact OG1-O 2.85Å; K16-Y18 HydrophobicContact CB-CD2 4.32Å; K16-Y18 HydrophobicContact CB-CE2 3.57Å; K16-Y18 VanDerWaalsContact CD-OH 3.28Å; K16-Y18 WeakPolarHBondContact CD-OH 3.48Å; K16-V31 HydrophobicContact CB-CG1 4.22Å; K16-V31 HydrophobicContact CD-CG1 3.8Å; K16-V31 HydrophobicContact CG-CG1 4.19Å; K16-I32 WeakPolarHBondContact CA-O 3.28Å; K16-D33 WeakPolarHBondContact CE-OD2 3.23Å |
| 17 | F | 95 | Very high | 82.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 138.9 | 160.7 | -57.9 | -63.5 | 0 | 0 | 0 | 109.2 | L10 H11 T12 V31 I32 R34 L71 I97 Y99 | L10-F17 HydrophobicContact CD1-CB 3.99Å; L10-F17 HydrophobicContact CD1-CD1 4.28Å; L10-F17 HydrophobicContact CD1-CG 4.45Å; H11-F17 WeakPolarHBondContact O-CA 3.27Å; T12-F17 HydrophobicContact CG2-CD1 3.96Å; T12-F17 HydrophobicContact CG2-CE1 3.68Å; F17-V31 WeakPolarHBondContact O-CA 3.5Å; F17-I32 HydrophobicContact CB-CB 4.21Å; F17-I32 HydrophobicContact CD2-CB 4.27Å; F17-I32 HydrophobicContact CD2-CG2 4.3Å; F17-I32 PolarHBondContact N-O 2.79Å; F17-I32 PolarHBondContact O-N 3.3Å; F17-R34 HydrophobicContact CD2-CG 3.83Å; F17-R34 HydrophobicContact CE2-CG 3.61Å; F17-R34 HydrophobicContact CG-CG 4.41Å; F17-R34 HydrophobicContact CZ-CG 4.02Å; F17-L71 HydrophobicContact CB-CD2 4.47Å; F17-L71 HydrophobicContact CD2-CD2 4.16Å; F17-L71 HydrophobicContact CE2-CB 4.43Å; F17-L71 HydrophobicContact CG-CD2 4.18Å; F17-I97 HydrophobicContact CE1-CG2 3.77Å; F17-I97 HydrophobicContact CZ-CG2 3.75Å; F17-Y99 HydrophobicContact CD2-CE1 4.48Å; F17-Y99 AromaticContact CE2-CD1 3.68Å; F17-Y99 HydrophobicContact CE2-CD1 3.68Å; F17-Y99 AromaticContact CE2-CE1 3.97Å; F17-Y99 HydrophobicContact CE2-CE1 3.97Å; F17-Y99 HydrophobicContact CE2-CG 4.11Å |
| 18 | Y | 94.5 | Very high | 82.9 | Confident | 19 Ų | 19 | 49.3 Ų | 49.3 | 8% | 0.075 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 128.7 | 174.1 | -56.3 | -98.6 | 0 | 0 | 0 | 108.8 | L10 H11 T13 K16 V29 L30 V31 T42 V47 P48 | L10-Y18 CarbonylContact C-O 3.57Å; L10-Y18 WeakPolarHBondContact CA-O 3.02Å; H11-Y18 HydrophobicContact CB-CD2 4.49Å; H11-Y18 PolarHBondContact N-O 3.06Å; H11-Y18 PolarHBondContact O-N 2.8Å; T13-Y18 HydrophobicContact CG2-CD2 4.32Å; T13-Y18 HydrophobicContact CG2-CE2 3.82Å; K16-Y18 HydrophobicContact CB-CD2 4.32Å; K16-Y18 HydrophobicContact CB-CE2 3.57Å; K16-Y18 VanDerWaalsContact CD-OH 3.28Å; K16-Y18 WeakPolarHBondContact CD-OH 3.48Å; Y18-V29 HydrophobicContact CD1-CG1 4.21Å; Y18-L30 CarbonylContact C-O 3.53Å; Y18-L30 VanDerWaalsContact CA-O 3.29Å; Y18-L30 WeakPolarHBondContact CA-O 3.36Å; Y18-V31 HydrophobicContact CD1-CG1 4.37Å; Y18-V31 HydrophobicContact CD1-CG2 3.68Å; Y18-V31 HydrophobicContact CE1-CG1 4.07Å; Y18-V31 HydrophobicContact CE1-CG2 3.8Å; Y18-T42 HydrophobicContact CD1-CG2 4.23Å; Y18-T42 HydrophobicContact CE1-CG2 4.35Å; Y18-V47 HydrophobicContact CD1-CG2 4.08Å; Y18-V47 HydrophobicContact CG-CG1 4.46Å; Y18-V47 HydrophobicContact CG-CG2 4.27Å; Y18-P48 HydrophobicContact CE2-CG 4.29Å |
| 19 | I | 93.5 | Very high | 82.9 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 108.9 | -179 | -62.2 | 156.3 | 0 | 0 | 0 | 108 | F8 R9 L10 L30 I32 I56 V59 L71 F184 | F8-I19 HydrophobicContact CB-CG2 4.1Å; F8-I19 HydrophobicContact CD1-CG2 3.92Å; F8-I19 HydrophobicContact CG-CG2 4.28Å; R9-I19 WeakPolarHBondContact O-CA 3.48Å; L10-I19 HydrophobicContact CD1-CD1 4.37Å; L10-I19 HydrophobicContact CD1-CG1 3.67Å; I19-L30 HydrophobicContact CB-CB 4.21Å; I19-L30 HydrophobicContact CB-CD2 4.48Å; I19-L30 HydrophobicContact CD1-CD2 3.74Å; I19-L30 HydrophobicContact CD1-CG 4.25Å; I19-L30 PolarHBondContact N-O 3.44Å; I19-L30 PolarHBondContact O-N 3.11Å; I19-I32 HydrophobicContact CD1-CD1 4.12Å; I19-I56 HydrophobicContact CG2-CD1 4.49Å; I19-V59 HydrophobicContact CD1-CG2 3.78Å; I19-V59 HydrophobicContact CG2-CG2 4.32Å; I19-L71 HydrophobicContact CD1-CD2 4.42Å; I19-F184 HydrophobicContact CG2-CD1 4.06Å; I19-F184 WeakPolarHBondContact O-CE1 3.39Å |
| 20 | E | 90.3 | Very high | 83 | Confident | 7 Ų | 7 | 44.9 Ų | 44.9 | 3% | 0.033 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 140.5 | 175.7 | 69.8 | 172.9 | -165.2 | 0 | 0 | 110.6 | F8 R9 H11 V29 R44 | F8-E20 CarbonylContact C-O 3.52Å; F8-E20 WeakPolarHBondContact CA-O 3.44Å; F8-E20 VanDerWaalsContact CB-O 3.31Å; F8-E20 WeakPolarHBondContact CB-O 3.35Å; R9-E20 HydrophobicContact CB-CG 3.75Å; R9-E20 WeakPolarHBondContact CD-OE1 3.26Å; R9-E20 HydrophobicContact CG-CG 4.12Å; R9-E20 IonicContact CZ-OE1 3.33Å; R9-E20 PolarHBondContact N-O 2.93Å; R9-E20 IonicContact NE-OE1 3.43Å; R9-E20 PolarHBondContact NE-OE1 3.26Å; R9-E20 IonicContact NH1-OE1 2.76Å; R9-E20 PolarHBondContact NH1-OE1 3.01Å; R9-E20 PolarHBondContact O-N 3.33Å; H11-E20 IonicContact CE1-OE1 3.75Å; H11-E20 VanDerWaalsContact NE2-CG 3.32Å; H11-E20 WeakPolarHBondContact NE2-CG 3.41Å; H11-E20 IonicContact NE2-OE1 3.41Å; H11-E20 PolarHBondContact NE2-OE1 3.48Å; H11-E20 IonicContact NE2-OE2 3.72Å; E20-V29 HydrophobicContact CB-CG2 4.03Å; E20-R44 IonicContact OE1-NH2 2.71Å; E20-R44 PolarHBondContact OE1-NH2 3Å; E20-R44 IonicContact OE2-CZ 3.74Å; E20-R44 IonicContact OE2-NE 3.94Å; E20-R44 PolarHBondContact OE2-NE 3.18Å; E20-R44 IonicContact OE2-NH2 3.65Å; E20-R44 PolarHBondContact OE2-NH2 3.26Å |
| 21 | Q | 85.2 | Confident | 83 | Confident | 52 Ų | 52 | 45.1 Ų | 45.1 | 24% | 0.243 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 138.9 | 170.4 | -168 | 170.2 | -15.8 | 0 | 0 | 109.4 | F8 D23 | F8-Q21 HydrophobicContact CD1-CB 3.97Å; F8-Q21 HydrophobicContact CD1-CG 4.26Å; F8-Q21 HydrophobicContact CE1-CB 4.01Å; F8-Q21 HydrophobicContact CE1-CG 4.05Å; Q21-D23 VanDerWaalsContact C-N 3.34Å; Q21-D23 PolarHBondContact O-N 3.01Å |
| 22 | S | 73.8 | Confident | 83 | Confident | 36 Ų | 36 | 44.5 Ų | 44.5 | 25% | 0.252 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -80.1 | -14.3 | -172.6 | -60.5 | 0 | 0 | 0 | 0 | 114.3 | S7 | S7-S22 WeakPolarHBondContact O-CB 3.24Å; S7-S22 PolarHBondContact O-N 3.5Å; S7-S22 PolarHBondContact O-OG 3.48Å; S7-S22 PolarHBondContact OG-OG 2.91Å |
| 23 | D | 63.1 | Low | 83.1 | Confident | 58 Ų | 58 | 44.6 Ų | 44.6 | 31% | 0.31 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -115.1 | 3.8 | -152.1 | -98.7 | 39.9 | 0 | 0 | 0 | 116.2 | T4 A5 Q21 | T4-D23 VanDerWaalsContact C-CG 3.45Å; T4-D23 VanDerWaalsContact CA-OD2 3.23Å; T4-D23 WeakPolarHBondContact CA-OD2 3.34Å; T4-D23 VanDerWaalsContact CB-CG 3.45Å; T4-D23 WeakPolarHBondContact CB-OD1 3.44Å; T4-D23 WeakPolarHBondContact CB-OD2 3.43Å; T4-D23 VanDerWaalsContact O-OD2 3.05Å; T4-D23 PolarHBondContact OG1-OD1 2.92Å; T4-D23 PolarHBondContact OG1-OD2 2.96Å; A5-D23 WeakPolarHBondContact CA-OD2 3.25Å; A5-D23 PolarHBondContact N-OD2 3.45Å; Q21-D23 VanDerWaalsContact C-N 3.34Å; Q21-D23 PolarHBondContact O-N 3.01Å |
| 24 | D | 54.4 | Low | 83 | Confident | 122 Ų | 122 | 44.5 Ų | 44.5 | 65% | 0.652 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -149.6 | 167.3 | 176.1 | -147.5 | -12.2 | 0 | 0 | 0 | 110.7 | S26 | D24-S26 PolarHBondContact O-N 3.45Š|
| 25 | D | 54.2 | Low | 83.1 | Confident | 154 Ų | 154 | 47.4 Ų | 47.4 | 82% | 0.824 | 25% | 0.254 | S | S | * | . | trans | -64.2 | 29.6 | 162.5 | -78 | -33 | 0 | 0 | 0 | 111.4 | V27 | D25-V27 PolarHBondContact O-N 3.01Š| ||
| 26 | S | 57.7 | Low | 83.1 | Confident | 31 Ų | 31 | 43.6 Ų | 43.6 | 22% | 0.217 | 24% | 0.241 | C | C | . | . | trans | -59.4 | 107.7 | 177.5 | 65.8 | 0 | 0 | 0 | 0 | 108.2 | D24 D28 | D24-S26 PolarHBondContact O-N 3.45Å; S26-D28 PolarHBondContact O-N 3.42Å | ||
| 27 | V | 66.8 | Low | 82.9 | Confident | 87 Ų | 87 | 43.1 Ų | 43.1 | 53% | 0.527 | 24% | 0.244 | S | C | . | . | trans | -68.7 | -31.1 | 179 | -171.8 | 0 | 0 | 0 | 0 | 110 | D25 V43 R44 | D25-V27 PolarHBondContact O-N 3.01Å; V27-V43 HydrophobicContact CG1-CB 3.88Å; V27-V43 HydrophobicContact CG1-CG1 3.59Å; V27-V43 VanDerWaalsContact O-CA 3.31Å; V27-V43 WeakPolarHBondContact O-CA 3.29Å; V27-R44 PolarHBondContact O-N 2.61Å | ||
| 28 | D | 85.6 | Confident | 82.8 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 29% | 0.289 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 123.5 | -172.6 | -57.8 | -24.1 | 0 | 0 | 0 | 112.4 | S26 T42 R183 | S26-D28 PolarHBondContact O-N 3.42Å; D28-T42 WeakPolarHBondContact CA-O 3.31Å; D28-R183 IonicContact OD2-CZ 3.59Å; D28-R183 IonicContact OD2-NH1 2.79Å; D28-R183 PolarHBondContact OD2-NH1 2.89Å; D28-R183 IonicContact OD2-NH2 2.74Å |
| 29 | V | 91.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 125.9 | 174.2 | 175.7 | 0 | 0 | 0 | 0 | 107.9 | Y18 E20 V31 T42 R44 V47 | Y18-V29 HydrophobicContact CD1-CG1 4.21Å; E20-V29 HydrophobicContact CB-CG2 4.03Å; V29-V31 PolarHBondContact O-N 3.36Å; V29-T42 HydrophobicContact CB-CG2 3.95Å; V29-T42 HydrophobicContact CG1-CG2 4.27Å; V29-T42 PolarHBondContact N-O 3.37Å; V29-T42 PolarHBondContact O-N 2.84Å; V29-R44 HydrophobicContact CG2-CB 4.21Å; V29-V47 HydrophobicContact CG1-CG2 4.02Å; V29-V47 HydrophobicContact CG2-CG2 4.29Å |
| 30 | L | 93.5 | Very high | 82.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 122.6 | 173.4 | 162.8 | 64.1 | 0 | 0 | 0 | 109.1 | Y18 I19 I32 M39 L41 F175 L181 F184 | Y18-L30 CarbonylContact C-O 3.53Å; Y18-L30 VanDerWaalsContact CA-O 3.29Å; Y18-L30 WeakPolarHBondContact CA-O 3.36Å; I19-L30 HydrophobicContact CB-CB 4.21Å; I19-L30 HydrophobicContact CB-CD2 4.48Å; I19-L30 HydrophobicContact CD1-CD2 3.74Å; I19-L30 HydrophobicContact CD1-CG 4.25Å; I19-L30 PolarHBondContact N-O 3.44Å; I19-L30 PolarHBondContact O-N 3.11Å; L30-I32 HydrophobicContact CD1-CG1 4.14Å; L30-I32 HydrophobicContact CD2-CD1 4.39Å; L30-I32 HydrophobicContact CD2-CG1 4.46Å; L30-I32 HydrophobicContact CG-CG1 4.16Å; L30-M39 HydrophobicContact CD1-CB 4.16Å; L30-L41 HydrophobicContact CB-CD2 4.4Å; L30-F175 HydrophobicContact CD2-CE1 3.89Å; L30-L181 HydrophobicContact CD1-CD1 4.31Å; L30-L181 HydrophobicContact CD1-CD2 3.88Å; L30-F184 HydrophobicContact CB-CD1 3.87Å; L30-F184 HydrophobicContact CB-CD2 3.95Å; L30-F184 HydrophobicContact CB-CE1 3.83Å; L30-F184 HydrophobicContact CB-CE2 3.93Å; L30-F184 HydrophobicContact CB-CG 3.93Å; L30-F184 HydrophobicContact CB-CZ 3.86Å; L30-F184 HydrophobicContact CD2-CB 3.94Å; L30-F184 HydrophobicContact CD2-CD1 4.45Å; L30-F184 HydrophobicContact CD2-CD2 4.34Å; L30-F184 HydrophobicContact CD2-CG 4Å |
| 31 | V | 94.6 | Very high | 82.8 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.024 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.7 | 173.5 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | K16 F17 Y18 V29 M39 S40 T42 | K16-V31 HydrophobicContact CB-CG1 4.22Å; K16-V31 HydrophobicContact CD-CG1 3.8Å; K16-V31 HydrophobicContact CG-CG1 4.19Å; F17-V31 WeakPolarHBondContact O-CA 3.5Å; Y18-V31 HydrophobicContact CD1-CG1 4.37Å; Y18-V31 HydrophobicContact CD1-CG2 3.68Å; Y18-V31 HydrophobicContact CE1-CG1 4.07Å; Y18-V31 HydrophobicContact CE1-CG2 3.8Å; V29-V31 PolarHBondContact O-N 3.36Å; V31-M39 WeakPolarHBondContact O-CA 3.42Å; V31-S40 PolarHBondContact N-O 3.19Å; V31-S40 PolarHBondContact O-N 2.87Å; V31-T42 HydrophobicContact CG2-CG2 3.16Å |
| 32 | I | 94.8 | Very high | 83.1 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 116.2 | 171.1 | -55.1 | 179.2 | 0 | 0 | 0 | 107.5 | K16 F17 I19 L30 R34 M39 L71 Y99 | K16-I32 WeakPolarHBondContact CA-O 3.28Å; F17-I32 HydrophobicContact CB-CB 4.21Å; F17-I32 HydrophobicContact CD2-CB 4.27Å; F17-I32 HydrophobicContact CD2-CG2 4.3Å; F17-I32 PolarHBondContact N-O 2.79Å; F17-I32 PolarHBondContact O-N 3.3Å; I19-I32 HydrophobicContact CD1-CD1 4.12Å; L30-I32 HydrophobicContact CD1-CG1 4.14Å; L30-I32 HydrophobicContact CD2-CD1 4.39Å; L30-I32 HydrophobicContact CD2-CG1 4.46Å; L30-I32 HydrophobicContact CG-CG1 4.16Å; I32-R34 PolarHBondContact O-N 2.91Å; I32-M39 HydrophobicContact CD1-CE 4.45Å; I32-M39 HydrophobicContact CG1-CG 4.18Å; I32-L71 HydrophobicContact CD1-CD1 3.98Å; I32-Y99 HydrophobicContact CG2-CE1 4.48Å; I32-Y99 HydrophobicContact CG2-CE2 3.5Å; I32-Y99 VanDerWaalsContact CG2-CE2 3.5Å; I32-Y99 VanDerWaalsContact CG2-CZ 3.48Å; I32-Y99 WeakPolarHBondContact CG2-OH 3.37Å |
| 33 | D | 93.3 | Very high | 83.9 | Confident | 34 Ų | 34 | 55 Ų | 55 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 122.2 | 175.2 | -165.3 | -61.5 | 0 | 0 | 0 | 110.3 | K16 V35 S36 T37 E38 | K16-D33 WeakPolarHBondContact CE-OD2 3.23Å; D33-V35 PolarHBondContact O-N 3.21Å; D33-V35 WeakPolarHBondContact OD1-CA 3.38Å; D33-V35 WeakPolarHBondContact OD1-CB 3.41Å; D33-V35 PolarHBondContact OD1-N 2.84Å; D33-S36 VanDerWaalsContact CB-OG 3.27Å; D33-S36 WeakPolarHBondContact CB-OG 3.37Å; D33-S36 PolarHBondContact OD1-N 3.33Å; D33-T37 WeakPolarHBondContact O-CA 3.44Å; D33-T37 PolarHBondContact O-N 2.8Å; D33-E38 PolarHBondContact N-O 2.98Å |
| 34 | R | 92 | Very high | 84.8 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 9% | 0.087 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -15.5 | -176.1 | -61.3 | 175 | 64.2 | 164.7 | 11.1 | 112.5 | T13 E15 F17 I32 S98 Y99 | T13-R34 PolarHBondContact O-NH1 3.29Å; E15-R34 WeakPolarHBondContact O-CA 3.41Å; E15-R34 WeakPolarHBondContact O-CB 3.33Å; E15-R34 WeakPolarHBondContact O-CG 3.49Å; E15-R34 PolarHBondContact O-N 2.83Å; F17-R34 HydrophobicContact CD2-CG 3.83Å; F17-R34 HydrophobicContact CE2-CG 3.61Å; F17-R34 HydrophobicContact CG-CG 4.41Å; F17-R34 HydrophobicContact CZ-CG 4.02Å; I32-R34 PolarHBondContact O-N 2.91Å; R34-S98 PolarHBondContact NH2-O 3.42Å; R34-Y99 WeakPolarHBondContact CB-O 3.47Å; R34-Y99 PolarHBondContact NE-O 3.38Å; R34-Y99 PolarHBondContact NH2-O 2.9Å |
| 35 | V | 88.8 | Confident | 86.2 | Confident | 119 Ų | 119 | 57.3 Ų | 57.3 | 72% | 0.721 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -54.8 | -179 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | D33 | D33-V35 PolarHBondContact O-N 3.21Å; D33-V35 WeakPolarHBondContact OD1-CA 3.38Å; D33-V35 WeakPolarHBondContact OD1-CB 3.41Å; D33-V35 PolarHBondContact OD1-N 2.84Å |
| 36 | S | 89.5 | Confident | 87.7 | Confident | 48 Ų | 48 | 53.7 Ų | 53.7 | 34% | 0.336 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -15.7 | -179 | 71.8 | 0 | 0 | 0 | 0 | 113.5 | D33 E38 | D33-S36 VanDerWaalsContact CB-OG 3.27Å; D33-S36 WeakPolarHBondContact CB-OG 3.37Å; D33-S36 PolarHBondContact OD1-N 3.33Å; S36-E38 PolarHBondContact O-N 2.96Å; S36-E38 WeakPolarHBondContact OG-CB 3.42Å; S36-E38 PolarHBondContact OG-N 3.34Å |
| 37 | T | 90.3 | Very high | 89.1 | Confident | 58 Ų | 58 | 53.2 Ų | 53.2 | 36% | 0.356 | 30% | 0.298 | S | S | . | . | trans | 64.9 | 5.5 | -173 | 67.8 | 0 | 0 | 0 | 0 | 114.5 | D33 M69 Y99 | D33-T37 WeakPolarHBondContact O-CA 3.44Å; D33-T37 PolarHBondContact O-N 2.8Å; T37-M69 HydrophobicContact CG2-CB 4.42Å; T37-M69 HydrophobicContact CG2-CG 3.79Å; T37-Y99 HydrophobicContact CG2-CD2 4.14Å; T37-Y99 HydrophobicContact CG2-CE2 4.23Å | ||
| 38 | E | 91.4 | Very high | 90.2 | Very high | 138 Ų | 138 | 51.2 Ų | 51.2 | 65% | 0.645 | 29% | 0.287 | S | S | * | . | trans | -73.9 | 140.3 | 179.8 | -66.2 | 177.6 | 162.1 | 0 | 0 | 111.2 | D33 S36 | D33-E38 PolarHBondContact N-O 2.98Å; S36-E38 PolarHBondContact O-N 2.96Å; S36-E38 WeakPolarHBondContact OG-CB 3.42Å; S36-E38 PolarHBondContact OG-N 3.34Å | ||
| 39 | M | 93.9 | Very high | 90.1 | Very high | 16 Ų | 16 | 58.2 Ų | 58.2 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 135.1 | 173.6 | -57.2 | -171.2 | -170.9 | 0 | 0 | 109.4 | L30 V31 I32 T62 E174 F175 L181 | L30-M39 HydrophobicContact CD1-CB 4.16Å; V31-M39 WeakPolarHBondContact O-CA 3.42Å; I32-M39 HydrophobicContact CD1-CE 4.45Å; I32-M39 HydrophobicContact CG1-CG 4.18Å; M39-T62 HydrophobicContact CE-CG2 3.74Å; M39-E174 HydrophobicContact CE-CB 3.73Å; M39-E174 HydrophobicContact CE-CG 4.47Å; M39-E174 WeakPolarHBondContact CE-OE2 3.5Å; M39-E174 HydrophobicContact SD-CB 4.34Å; M39-F175 HydrophobicContact CE-CE1 4.41Å; M39-F175 HydrophobicContact CE-CE2 3.92Å; M39-F175 HydrophobicContact CE-CZ 3.84Å; M39-F175 HydrophobicContact SD-CD1 4.11Å; M39-F175 HydrophobicContact SD-CE1 3.73Å; M39-F175 HydrophobicContact SD-CE2 4.2Å; M39-F175 HydrophobicContact SD-CZ 3.78Å; M39-L181 HydrophobicContact CB-CD1 3.68Å; M39-L181 HydrophobicContact CG-CD1 4.45Å; M39-L181 HydrophobicContact SD-CD1 3.96Å |
| 40 | S | 93.1 | Very high | 89.9 | Confident | 62 Ų | 62 | 63.6 Ų | 63.6 | 43% | 0.434 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 167 | 179.4 | 57.1 | 0 | 0 | 0 | 0 | 110.9 | V31 | V31-S40 PolarHBondContact N-O 3.19Å; V31-S40 PolarHBondContact O-N 2.87Å |
| 41 | L | 92.6 | Very high | 89.6 | Confident | 57 Ų | 57 | 64.1 Ų | 64.1 | 30% | 0.298 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 137.6 | 173.9 | -61.1 | -178.9 | 0 | 0 | 0 | 110.3 | L30 E180 L181 F184 | L30-L41 HydrophobicContact CB-CD2 4.4Å; L41-E180 HydrophobicContact CD1-CB 3.82Å; L41-E180 HydrophobicContact CD1-CG 3.93Å; L41-E180 HydrophobicContact CG-CG 4.48Å; L41-L181 HydrophobicContact CD2-CD2 3.64Å; L41-L181 HydrophobicContact CG-CD2 4.05Å; L41-F184 HydrophobicContact CD2-CE2 3.65Å; L41-F184 HydrophobicContact CD2-CZ 4.11Å |
| 42 | T | 91.7 | Very high | 89.4 | Confident | 36 Ų | 36 | 70.7 Ų | 70.7 | 22% | 0.221 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 176.4 | 175.8 | -147.1 | 0 | 0 | 0 | 0 | 109.8 | Y18 D28 V29 V31 D46 | Y18-T42 HydrophobicContact CD1-CG2 4.23Å; Y18-T42 HydrophobicContact CE1-CG2 4.35Å; D28-T42 WeakPolarHBondContact CA-O 3.31Å; V29-T42 HydrophobicContact CB-CG2 3.95Å; V29-T42 HydrophobicContact CG1-CG2 4.27Å; V29-T42 PolarHBondContact N-O 3.37Å; V29-T42 PolarHBondContact O-N 2.84Å; V31-T42 HydrophobicContact CG2-CG2 3.16Å; T42-D46 HydrophobicContact CG2-CB 4.09Å; T42-D46 PolarHBondContact OG1-OD2 3.21Å |
| 43 | V | 88.6 | Confident | 89.3 | Confident | 54 Ų | 54 | 74 Ų | 74 | 33% | 0.327 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 154.7 | 175.4 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | V27 S45 D46 | V27-V43 HydrophobicContact CG1-CB 3.88Å; V27-V43 HydrophobicContact CG1-CG1 3.59Å; V27-V43 VanDerWaalsContact O-CA 3.31Å; V27-V43 WeakPolarHBondContact O-CA 3.29Å; V43-S45 WeakPolarHBondContact CG2-OG 3.5Å; V43-S45 PolarHBondContact O-N 2.83Å; V43-S45 VanDerWaalsContact O-N 3.08Å; V43-D46 WeakPolarHBondContact CG2-OD2 3.41Å; V43-D46 PolarHBondContact N-OD2 2.78Å; V43-D46 WeakPolarHBondContact O-CB 3.38Å; V43-D46 PolarHBondContact O-N 3.36Å |
| 44 | R | 83.9 | Confident | 89.3 | Confident | 127 Ų | 127 | 74.6 Ų | 74.6 | 48% | 0.479 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -54.1 | -31 | -178.9 | -167.1 | 177.2 | -168.2 | -174.2 | 6.2 | 115.1 | E20 V27 V29 D46 V47 | E20-R44 IonicContact OE1-NH2 2.71Å; E20-R44 PolarHBondContact OE1-NH2 3Å; E20-R44 IonicContact OE2-CZ 3.74Å; E20-R44 IonicContact OE2-NE 3.94Å; E20-R44 PolarHBondContact OE2-NE 3.18Å; E20-R44 IonicContact OE2-NH2 3.65Å; E20-R44 PolarHBondContact OE2-NH2 3.26Å; V27-R44 PolarHBondContact O-N 2.61Å; V29-R44 HydrophobicContact CG2-CB 4.21Å; R44-D46 PolarHBondContact O-N 3.09Å; R44-V47 PolarHBondContact O-N 2.8Å |
| 45 | S | 83.5 | Confident | 89.3 | Confident | 102 Ų | 102 | 78.1 Ų | 78.1 | 71% | 0.713 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -63.7 | -19.4 | 176.9 | 52.8 | 0 | 0 | 0 | 0 | 113.8 | V43 V47 | V43-S45 WeakPolarHBondContact CG2-OG 3.5Å; V43-S45 PolarHBondContact O-N 2.83Å; V43-S45 VanDerWaalsContact O-N 3.08Å; S45-V47 VanDerWaalsContact C-N 3.32Å |
| 46 | D | 85.4 | Confident | 89.5 | Confident | 77 Ų | 77 | 72.6 Ų | 72.6 | 41% | 0.412 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -85.4 | -9.4 | -178.3 | -51.9 | -31.3 | 0 | 0 | 0 | 112.2 | T42 V43 R44 P48 | T42-D46 HydrophobicContact CG2-CB 4.09Å; T42-D46 PolarHBondContact OG1-OD2 3.21Å; V43-D46 WeakPolarHBondContact CG2-OD2 3.41Å; V43-D46 PolarHBondContact N-OD2 2.78Å; V43-D46 WeakPolarHBondContact O-CB 3.38Å; V43-D46 PolarHBondContact O-N 3.36Å; R44-D46 PolarHBondContact O-N 3.09Å; D46-P48 VanDerWaalsContact O-CD 3.23Å; D46-P48 WeakPolarHBondContact O-CD 3.3Å |
| 47 | V | 87.4 | Confident | 89.6 | Confident | 22 Ų | 22 | 71.1 Ų | 71.1 | 13% | 0.133 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -71.1 | 118.6 | 178.1 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | H11 Y18 V29 R44 S45 M49 | H11-V47 HydrophobicContact CB-CG1 3.91Å; Y18-V47 HydrophobicContact CD1-CG2 4.08Å; Y18-V47 HydrophobicContact CG-CG1 4.46Å; Y18-V47 HydrophobicContact CG-CG2 4.27Å; V29-V47 HydrophobicContact CG1-CG2 4.02Å; V29-V47 HydrophobicContact CG2-CG2 4.29Å; R44-V47 PolarHBondContact O-N 2.8Å; S45-V47 VanDerWaalsContact C-N 3.32Å; V47-M49 PolarHBondContact O-N 2.84Å |
| 48 | P | 89.3 | Confident | 89.7 | Confident | 45 Ų | 45 | 68.4 Ų | 68.4 | 29% | 0.292 | 38% | 0.381 | S | S | . | . | trans | -66.3 | 132.8 | -177.5 | -24.6 | 37.3 | 0 | 0 | 0 | 112.3 | T13 Y18 D46 S50 A51 | T13-P48 HydrophobicContact CG2-CB 4.36Å; T13-P48 HydrophobicContact CG2-CG 4.04Å; Y18-P48 HydrophobicContact CE2-CG 4.29Å; D46-P48 VanDerWaalsContact O-CD 3.23Å; D46-P48 WeakPolarHBondContact O-CD 3.3Å; P48-S50 PolarHBondContact O-N 3.18Å; P48-S50 VanDerWaalsContact O-N 3.09Å; P48-A51 WeakPolarHBondContact O-CB 3.36Å; P48-A51 PolarHBondContact O-N 3.48Å | ||
| 49 | M | 83.7 | Confident | 89.8 | Confident | 200 Ų | 200 | 61.9 Ų | 61.9 | 99% | 0.985 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -22.7 | 176.3 | -71.1 | -100.7 | -69.7 | 0 | 0 | 113.8 | V47 A51 | V47-M49 PolarHBondContact O-N 2.84Å; M49-A51 VanDerWaalsContact C-N 3.28Å |
| 50 | S | 86.8 | Confident | 89.9 | Confident | 113 Ų | 113 | 61.1 Ų | 61.1 | 79% | 0.79 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -2.7 | 177.4 | 62.2 | 0 | 0 | 0 | 0 | 113.9 | P48 | P48-S50 PolarHBondContact O-N 3.18Å; P48-S50 VanDerWaalsContact O-N 3.09Å |
| 51 | A | 87.9 | Confident | 90 | Very high | 12 Ų | 12 | 58.2 Ų | 58.2 | 10% | 0.099 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -73.3 | 134.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | H11 T13 P48 M49 T53 | H11-A51 HydrophobicContact CB-CB 3.74Å; T13-A51 HydrophobicContact CG2-CB 3.63Å; P48-A51 WeakPolarHBondContact O-CB 3.36Å; P48-A51 PolarHBondContact O-N 3.48Å; M49-A51 VanDerWaalsContact C-N 3.28Å; A51-T53 PolarHBondContact O-N 3.37Å; A51-T53 PolarHBondContact O-OG1 2.99Å |
| 52 | E | 90 | Very high | 90.1 | Very high | 142 Ų | 142 | 55.9 Ų | 55.9 | 66% | 0.664 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 122.7 | 173.7 | -175.5 | 177.2 | -176.5 | 0 | 0 | 108.8 | H11 T12 | H11-E52 CarbonylContact C-O 3.51Å; H11-E52 WeakPolarHBondContact CA-O 3.44Å; T12-E52 PolarHBondContact N-O 3.39Å; T12-E52 PolarHBondContact O-N 3.03Å; T12-E52 VanDerWaalsContact O-N 3.1Å |
| 53 | T | 92.3 | Very high | 90.3 | Very high | 70 Ų | 70 | 54.4 Ų | 54.4 | 43% | 0.429 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 122.5 | -172.3 | -54.6 | 0 | 0 | 0 | 0 | 110.4 | R9 L10 H11 A51 | R9-T53 HydrophobicContact CB-CG2 4.01Å; L10-T53 WeakPolarHBondContact O-CA 3.4Å; H11-T53 VanDerWaalsContact CE1-CG2 3.45Å; H11-T53 WeakPolarHBondContact CE1-CG2 3.49Å; H11-T53 WeakPolarHBondContact ND1-CG2 3.43Å; H11-T53 PolarHBondContact ND1-OG1 3.4Å; A51-T53 PolarHBondContact O-N 3.37Å; A51-T53 PolarHBondContact O-OG1 2.99Å |
| 54 | I | 92.3 | Very high | 90.5 | Very high | 46 Ų | 46 | 57 Ų | 57 | 24% | 0.236 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 137.9 | 174 | 65.3 | 173.7 | 0 | 0 | 0 | 110.9 | L10 I56 | L10-I54 HydrophobicContact CB-CG1 3.92Å; L10-I54 HydrophobicContact CD2-CD1 4.06Å; L10-I54 HydrophobicContact CD2-CG1 4.18Å; L10-I54 HydrophobicContact CG-CG1 4.35Å; L10-I54 PolarHBondContact N-O 3.45Å; L10-I54 PolarHBondContact O-N 2.92Å; I54-I56 HydrophobicContact CD1-CG2 4.33Å; I54-I56 HydrophobicContact CG1-CG2 4.16Å |
| 55 | P | 92.6 | Very high | 90.9 | Very high | 97 Ų | 97 | 51 Ų | 51 | 63% | 0.63 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 135.2 | 173 | 30.5 | -33 | 0 | 0 | 0 | 109.9 | ||
| 56 | I | 94.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 157.5 | 175.2 | 67.5 | 170.1 | 0 | 0 | 0 | 110.1 | F8 L10 I19 I54 V59 V73 | F8-I56 HydrophobicContact CB-CD1 4.11Å; F8-I56 HydrophobicContact CB-CG1 3.69Å; F8-I56 PolarHBondContact N-O 3.49Å; F8-I56 PolarHBondContact O-N 3.41Å; L10-I56 HydrophobicContact CB-CD1 4.1Å; L10-I56 HydrophobicContact CB-CG1 4.45Å; L10-I56 HydrophobicContact CB-CG2 4.1Å; I19-I56 HydrophobicContact CG2-CD1 4.49Å; I54-I56 HydrophobicContact CD1-CG2 4.33Å; I54-I56 HydrophobicContact CG1-CG2 4.16Å; I56-V59 HydrophobicContact CD1-CG2 4.38Å; I56-V73 HydrophobicContact CB-CB 4.44Å; I56-V73 HydrophobicContact CD1-CB 4.15Å; I56-V73 HydrophobicContact CD1-CG1 3.9Å; I56-V73 HydrophobicContact CG2-CB 4.17Å; I56-V73 HydrophobicContact CG2-CG2 3.99Å |
| 57 | C | 91.8 | Very high | 91.2 | Very high | 18 Ų | 18 | 44.1 Ų | 44.1 | 12% | 0.122 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -92.1 | -12.5 | -179.5 | -67.9 | 0 | 0 | 0 | 0 | 113.5 | I74 K77 | C57-I74 HydrophobicContact CB-CB 4.06Å; C57-I74 HydrophobicContact CB-CG2 3.83Å; C57-I74 WeakPolarHBondContact CB-O 3.47Å; C57-I74 PolarHBondContact N-O 3.07Å; C57-K77 HydrophobicContact CB-CB 4.23Å; C57-K77 HydrophobicContact CB-CD 3.89Å; C57-K77 HydrophobicContact CB-CG 4.09Å |
| 58 | G | 91.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.6 | 162.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112 | I74 | G58-I74 PolarHBondContact O-N 3.17Å |
| 59 | V | 94.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 125.7 | 175.8 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | I19 I56 L71 F175 F184 V185 | I19-V59 HydrophobicContact CD1-CG2 3.78Å; I19-V59 HydrophobicContact CG2-CG2 4.32Å; I56-V59 HydrophobicContact CD1-CG2 4.38Å; V59-L71 HydrophobicContact CG1-CD1 3.92Å; V59-F175 HydrophobicContact CG1-CZ 3.98Å; V59-F184 WeakPolarHBondContact CB-O 3.29Å; V59-V185 HydrophobicContact CB-CG1 3.9Å; V59-V185 HydrophobicContact CG1-CG1 3.94Å |
| 60 | M | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | -32.8 | 175.4 | -169.3 | 70.9 | 170.3 | 0 | 0 | 111.1 | I72 I74 F94 L125 L130 N168 L172 V188 F497 | M60-I72 HydrophobicContact CB-CB 3.97Å; M60-I72 HydrophobicContact CB-CG2 3.71Å; M60-I72 WeakPolarHBondContact CB-O 3.42Å; M60-I72 HydrophobicContact CG-CG2 4.05Å; M60-I72 PolarHBondContact N-O 2.91Å; M60-I74 HydrophobicContact CB-CG1 4.46Å; M60-I74 HydrophobicContact SD-CD1 4.42Å; M60-F94 HydrophobicContact CE-CE1 4.38Å; M60-F94 HydrophobicContact SD-CE1 4.11Å; M60-L125 HydrophobicContact CE-CD2 3.97Å; M60-L125 HydrophobicContact CG-CD2 4.26Å; M60-L130 HydrophobicContact CE-CD1 4.18Å; M60-N168 HydrophobicContact CE-CB 3.94Å; M60-N168 HydrophobicContact CG-CB 4.36Å; M60-N168 PolarHBondContact O-ND2 3.12Å; M60-N168 HydrophobicContact SD-CB 4.19Å; M60-L172 WeakPolarHBondContact O-CD2 3.27Å; M60-V188 HydrophobicContact CE-CB 4.15Å; M60-V188 HydrophobicContact CE-CG1 4.07Å; M60-V188 HydrophobicContact CE-CG2 4.16Å; M60-V188 HydrophobicContact SD-CB 4.3Å; M60-V188 HydrophobicContact SD-CG2 3.65Å; M60-F497 HydrophobicContact CE-CZ 3.8Å |
| 61 | G | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 139.8 | -163.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I72 L171 | G61-I72 PolarHBondContact N-O 3.09Å; G61-I72 PolarHBondContact O-N 2.85Å; G61-L171 CarbonylContact C-O 3.55Å; G61-L171 VanDerWaalsContact CA-O 3.31Å; G61-L171 WeakPolarHBondContact CA-O 3.12Å |
| 62 | T | 95.8 | Very high | 93.1 | Very high | 8 Ų | 8 | 27.3 Ų | 27.3 | 5% | 0.049 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 151.5 | 179.7 | 52.8 | 0 | 0 | 0 | 0 | 111.1 | M39 Y70 L71 Y99 L171 E174 F175 | M39-T62 HydrophobicContact CE-CG2 3.74Å; T62-Y70 CarbonylContact C-O 3.54Å; T62-Y70 VanDerWaalsContact CA-O 3.26Å; T62-Y70 WeakPolarHBondContact CA-O 3.48Å; T62-L71 HydrophobicContact CG2-CD1 4.04Å; T62-Y99 WeakPolarHBondContact CG2-OH 3.14Å; T62-L171 PolarHBondContact N-O 2.85Å; T62-L171 VanDerWaalsContact O-CA 3.24Å; T62-L171 WeakPolarHBondContact O-CA 3.46Å; T62-E174 WeakPolarHBondContact CB-OE2 3.35Å; T62-E174 PolarHBondContact OG1-OE2 3.11Å; T62-F175 HydrophobicContact CG2-CE2 4.01Å; T62-F175 HydrophobicContact CG2-CZ 4.28Å |
| 63 | I | 95.1 | Very high | 93.4 | Very high | 6 Ų | 6 | 20.5 Ų | 20.5 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 143.3 | 175.3 | -167.5 | 170.9 | 0 | 0 | 0 | 111.2 | L65 Y70 I72 I121 L171 | I63-L65 HydrophobicContact CD1-CD2 4.26Å; I63-L65 HydrophobicContact CG1-CD2 4.33Å; I63-L65 HydrophobicContact CG2-CG 4.33Å; I63-Y70 PolarHBondContact N-O 3.09Å; I63-Y70 PolarHBondContact O-N 3.38Å; I63-I72 HydrophobicContact CG2-CD1 3.95Å; I63-I72 HydrophobicContact CG2-CG1 4.38Å; I63-I121 HydrophobicContact CD1-CD1 3.45Å; I63-I121 VanDerWaalsContact CD1-CD1 3.45Å; I63-I121 HydrophobicContact CD1-CG1 4.09Å; I63-L171 HydrophobicContact CB-CD2 4.04Å; I63-L171 HydrophobicContact CG2-CD2 4.42Å |
| 64 | R | 92.6 | Very high | 93.5 | Very high | 107 Ų | 107 | 17.3 Ų | 17.3 | 40% | 0.404 | 9% | 0.093 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 123 | 175.1 | -167.9 | 176.3 | -179.4 | 120.5 | 29.4 | 111 | M69 E505 | R64-M69 HydrophobicContact CB-SD 3.55Å; R64-M69 VanDerWaalsContact CB-SD 3.55Å; R64-M69 HydrophobicContact CG-SD 3.92Å; R64-E505 IonicContact CZ-OE1 3.43Å; R64-E505 IonicContact NH1-OE1 2.68Å; R64-E505 IonicContact NH2-OE1 3.74Å; R64-E505 PolarHBondContact NH2-OE1 3.24Å |
| 65 | L | 91.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 175.2 | 174.4 | -58 | -176.1 | 0 | 0 | 0 | 109.6 | I63 A67 G68 Y70 F117 V118 I121 L496 | I63-L65 HydrophobicContact CD1-CD2 4.26Å; I63-L65 HydrophobicContact CG1-CD2 4.33Å; I63-L65 HydrophobicContact CG2-CG 4.33Å; L65-A67 VanDerWaalsContact C-N 3.25Å; L65-A67 PolarHBondContact O-N 3.47Å; L65-A67 VanDerWaalsContact O-N 3.13Å; L65-G68 PolarHBondContact N-O 2.98Å; L65-G68 WeakPolarHBondContact O-CA 3.49Å; L65-G68 PolarHBondContact O-N 3.45Å; L65-G68 VanDerWaalsContact O-O 3.12Å; L65-Y70 HydrophobicContact CB-CD2 3.82Å; L65-Y70 HydrophobicContact CB-CE2 3.7Å; L65-Y70 HydrophobicContact CD1-CD2 3.76Å; L65-Y70 HydrophobicContact CD1-CE2 3.89Å; L65-Y70 HydrophobicContact CD1-CG 4.24Å; L65-Y70 HydrophobicContact CG-CD2 3.85Å; L65-Y70 HydrophobicContact CG-CE2 4.13Å; L65-F117 HydrophobicContact CD1-CB 4.44Å; L65-F117 HydrophobicContact CD2-CB 4.01Å; L65-V118 HydrophobicContact CD1-CB 4.48Å; L65-V118 HydrophobicContact CD1-CG2 3.56Å; L65-I121 HydrophobicContact CD2-CG1 4.49Å; L65-L496 HydrophobicContact CD2-CD1 4.48Å; L65-L496 HydrophobicContact CD2-CD2 4.41Å |
| 66 | P | 88.9 | Confident | 93.7 | Very high | 34 Ų | 34 | 17.7 Ų | 17.7 | 22% | 0.221 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -33.7 | -175.5 | -27.3 | 34.9 | 0 | 0 | 0 | 114.9 | G68 N114 F117 V503 | P66-G68 PolarHBondContact O-N 2.87Å; P66-N114 HydrophobicContact CB-CB 4.16Å; P66-N114 HydrophobicContact CG-CB 4.36Å; P66-F117 HydrophobicContact CG-CD2 3.56Å; P66-F117 HydrophobicContact CG-CE2 3.78Å; P66-V503 HydrophobicContact CG-CG1 4Å |
| 67 | A | 87.5 | Confident | 93.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -9.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L65 Y70 K100 V103 H105 L106 N114 | L65-A67 VanDerWaalsContact C-N 3.25Å; L65-A67 PolarHBondContact O-N 3.47Å; L65-A67 VanDerWaalsContact O-N 3.13Å; A67-Y70 HydrophobicContact CB-CE2 4.12Å; A67-Y70 WeakPolarHBondContact CB-OH 3.34Å; A67-K100 WeakPolarHBondContact O-CD 3.49Å; A67-V103 HydrophobicContact CB-CG1 3.92Å; A67-H105 PolarHBondContact O-CE1 3.38Å; A67-H105 PolarHBondContact O-NE2 3.48Å; A67-L106 HydrophobicContact CB-CD1 3.9Å; A67-N114 VanDerWaalsContact CB-OD1 3.29Å; A67-N114 WeakPolarHBondContact CB-OD1 3.25Å; A67-N114 PolarHBondContact N-OD1 2.81Å |
| 68 | G | 89.9 | Confident | 93.9 | Very high | 9 Ų | 9 | 23.1 Ų | 23.1 | 9% | 0.093 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 121.5 | -157 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L65 P66 Y70 | L65-G68 PolarHBondContact N-O 2.98Å; L65-G68 WeakPolarHBondContact O-CA 3.49Å; L65-G68 PolarHBondContact O-N 3.45Å; L65-G68 VanDerWaalsContact O-O 3.12Å; P66-G68 PolarHBondContact O-N 2.87Å; G68-Y70 VanDerWaalsContact O-CD2 3.29Å; G68-Y70 WeakPolarHBondContact O-CD2 3.33Å |
| 69 | M | 93.3 | Very high | 94.1 | Very high | 17 Ų | 17 | 27.7 Ų | 27.7 | 8% | 0.084 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 144.8 | -179.6 | -67.9 | -60.2 | -74.9 | 0 | 0 | 112.2 | T37 R64 Y99 E174 | T37-M69 HydrophobicContact CG2-CB 4.42Å; T37-M69 HydrophobicContact CG2-CG 3.79Å; R64-M69 HydrophobicContact CB-SD 3.55Å; R64-M69 VanDerWaalsContact CB-SD 3.55Å; R64-M69 HydrophobicContact CG-SD 3.92Å; M69-Y99 VanDerWaalsContact C-CD1 3.45Å; M69-Y99 HydrophobicContact CB-CD1 3.74Å; M69-Y99 HydrophobicContact CB-CD2 3.62Å; M69-Y99 HydrophobicContact CB-CE1 3.86Å; M69-Y99 HydrophobicContact CB-CE2 3.75Å; M69-Y99 HydrophobicContact CB-CG 3.61Å; M69-Y99 HydrophobicContact CG-CD2 4.5Å; M69-Y99 HydrophobicContact CG-CE2 4.44Å; M69-Y99 WeakPolarHBondContact O-CB 3.45Å; M69-Y99 WeakPolarHBondContact O-CD1 3.39Å; M69-Y99 PolarHBondContact O-N 3.4Å; M69-E174 WeakPolarHBondContact CE-OE1 3.45Å; M69-E174 WeakPolarHBondContact CE-OE2 3.35Å |
| 70 | Y | 95.8 | Very high | 94.1 | Very high | 13 Ų | 13 | 29.6 Ų | 29.6 | 5% | 0.051 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 136.9 | 175 | -74.7 | -98.8 | 0 | 0 | 0 | 109.8 | T62 I63 L65 A67 G68 I96 I97 S98 N114 V118 | T62-Y70 CarbonylContact C-O 3.54Å; T62-Y70 VanDerWaalsContact CA-O 3.26Å; T62-Y70 WeakPolarHBondContact CA-O 3.48Å; I63-Y70 PolarHBondContact N-O 3.09Å; I63-Y70 PolarHBondContact O-N 3.38Å; L65-Y70 HydrophobicContact CB-CD2 3.82Å; L65-Y70 HydrophobicContact CB-CE2 3.7Å; L65-Y70 HydrophobicContact CD1-CD2 3.76Å; L65-Y70 HydrophobicContact CD1-CE2 3.89Å; L65-Y70 HydrophobicContact CD1-CG 4.24Å; L65-Y70 HydrophobicContact CG-CD2 3.85Å; L65-Y70 HydrophobicContact CG-CE2 4.13Å; A67-Y70 HydrophobicContact CB-CE2 4.12Å; A67-Y70 WeakPolarHBondContact CB-OH 3.34Å; G68-Y70 VanDerWaalsContact O-CD2 3.29Å; G68-Y70 WeakPolarHBondContact O-CD2 3.33Å; Y70-I96 HydrophobicContact CD1-CG2 3.61Å; Y70-I96 HydrophobicContact CE1-CG2 4.36Å; Y70-I96 HydrophobicContact CG-CG2 4.18Å; Y70-I97 CarbonylContact C-O 3.36Å; Y70-I97 VanDerWaalsContact CA-O 3.32Å; Y70-I97 WeakPolarHBondContact CA-O 3.49Å; Y70-S98 VanDerWaalsContact CE1-CB 3.48Å; Y70-N114 PolarHBondContact OH-ND2 3.09Å; Y70-V118 HydrophobicContact CE1-CG2 4.15Å |
| 71 | L | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 128.7 | 170.8 | 178.2 | 64.9 | 0 | 0 | 0 | 108.5 | L10 F17 I19 I32 V59 T62 V73 I97 Y99 | L10-L71 HydrophobicContact CD1-CD2 4.12Å; L10-L71 HydrophobicContact CD2-CD2 4.35Å; F17-L71 HydrophobicContact CB-CD2 4.47Å; F17-L71 HydrophobicContact CD2-CD2 4.16Å; F17-L71 HydrophobicContact CE2-CB 4.43Å; F17-L71 HydrophobicContact CG-CD2 4.18Å; I19-L71 HydrophobicContact CD1-CD2 4.42Å; I32-L71 HydrophobicContact CD1-CD1 3.98Å; V59-L71 HydrophobicContact CG1-CD1 3.92Å; T62-L71 HydrophobicContact CG2-CD1 4.04Å; L71-V73 HydrophobicContact CD1-CG1 4.48Å; L71-V73 HydrophobicContact CD2-CG1 4.05Å; L71-V73 HydrophobicContact CG-CG1 3.93Å; L71-I97 PolarHBondContact N-O 3.3Å; L71-I97 PolarHBondContact O-N 3.02Å; L71-Y99 HydrophobicContact CB-CE1 3.93Å |
| 72 | I | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 123.6 | 176.1 | -49.8 | -168.2 | 0 | 0 | 0 | 109.1 | M60 G61 I63 D95 I121 L125 L171 | M60-I72 HydrophobicContact CB-CB 3.97Å; M60-I72 HydrophobicContact CB-CG2 3.71Å; M60-I72 WeakPolarHBondContact CB-O 3.42Å; M60-I72 HydrophobicContact CG-CG2 4.05Å; M60-I72 PolarHBondContact N-O 2.91Å; G61-I72 PolarHBondContact N-O 3.09Å; G61-I72 PolarHBondContact O-N 2.85Å; I63-I72 HydrophobicContact CG2-CD1 3.95Å; I63-I72 HydrophobicContact CG2-CG1 4.38Å; I72-D95 WeakPolarHBondContact CA-O 3.48Å; I72-I121 HydrophobicContact CD1-CG2 3.54Å; I72-L125 HydrophobicContact CD1-CD1 4.27Å; I72-L125 HydrophobicContact CG2-CD1 3.67Å; I72-L125 HydrophobicContact CG2-CD2 4.26Å; I72-L171 HydrophobicContact CD1-CD2 3.4Å; I72-L171 VanDerWaalsContact CD1-CD2 3.4Å; I72-L171 HydrophobicContact CG1-CD2 4.13Å |
| 73 | V | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 149.3 | -179.1 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | L10 I56 L71 T75 F94 D95 I97 | L10-V73 HydrophobicContact CD2-CG1 4.36Å; I56-V73 HydrophobicContact CB-CB 4.44Å; I56-V73 HydrophobicContact CD1-CB 4.15Å; I56-V73 HydrophobicContact CD1-CG1 3.9Å; I56-V73 HydrophobicContact CG2-CB 4.17Å; I56-V73 HydrophobicContact CG2-CG2 3.99Å; L71-V73 HydrophobicContact CD1-CG1 4.48Å; L71-V73 HydrophobicContact CD2-CG1 4.05Å; L71-V73 HydrophobicContact CG-CG1 3.93Å; V73-T75 HydrophobicContact CG2-CG2 4.21Å; V73-F94 WeakPolarHBondContact O-CA 3.4Å; V73-D95 HydrophobicContact CG2-CB 3.88Å; V73-D95 PolarHBondContact N-O 3.33Å; V73-D95 VanDerWaalsContact N-O 3.08Å; V73-D95 PolarHBondContact O-N 3.43Å; V73-I97 HydrophobicContact CG2-CD1 4.1Å |
| 74 | I | 96 | Very high | 93.8 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 118 | 173.3 | -52.3 | 175.5 | 0 | 0 | 0 | 107.1 | C57 G58 M60 A91 F94 F132 | C57-I74 HydrophobicContact CB-CB 4.06Å; C57-I74 HydrophobicContact CB-CG2 3.83Å; C57-I74 WeakPolarHBondContact CB-O 3.47Å; C57-I74 PolarHBondContact N-O 3.07Å; G58-I74 PolarHBondContact O-N 3.17Å; M60-I74 HydrophobicContact CB-CG1 4.46Å; M60-I74 HydrophobicContact SD-CD1 4.42Å; I74-A91 HydrophobicContact CD1-CB 4.24Å; I74-A91 HydrophobicContact CG2-CB 3.94Å; I74-F94 HydrophobicContact CG1-CD1 4.02Å; I74-F94 HydrophobicContact CG1-CE1 3.89Å; I74-F132 HydrophobicContact CD1-CD1 4.2Å; I74-F132 HydrophobicContact CD1-CE1 3.84Å; I74-F132 HydrophobicContact CD1-CZ 4.19Å |
| 75 | T | 94.4 | Very high | 93.7 | Very high | 39 Ų | 39 | 31.7 Ų | 31.7 | 24% | 0.239 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -24.8 | -179.3 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | V73 N93 D95 | V73-T75 HydrophobicContact CG2-CG2 4.21Å; T75-N93 PolarHBondContact N-O 3.4Å; T75-N93 VanDerWaalsContact OG1-CB 3.25Å; T75-N93 WeakPolarHBondContact OG1-CB 3.27Å; T75-N93 PolarHBondContact OG1-O 2.88Å; T75-D95 HydrophobicContact CG2-CB 3.98Å; T75-D95 WeakPolarHBondContact CG2-OD2 3.38Å |
| 76 | K | 94.2 | Very high | 93.7 | Very high | 113 Ų | 113 | 34.4 Ų | 34.4 | 49% | 0.491 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 132.1 | 178.5 | -167.2 | 177.4 | -179 | 176.1 | 0 | 111.3 | L92 N93 | K76-L92 HydrophobicContact CB-CB 4.23Å; K76-L92 HydrophobicContact CD-CB 4.43Å; K76-L92 HydrophobicContact CD-CD1 4.22Å; K76-L92 HydrophobicContact CG-CB 4.27Å; K76-L92 HydrophobicContact CG-CD1 4.19Å; K76-L92 PolarHBondContact O-N 3.31Å; K76-N93 HydrophobicContact CB-CB 3.78Å; K76-N93 PolarHBondContact N-O 3.44Å; K76-N93 PolarHBondContact O-N 2.83Å |
| 77 | K | 94.1 | Very high | 94 | Very high | 40 Ų | 40 | 33.4 Ų | 33.4 | 17% | 0.174 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 158.1 | 171.8 | 71 | -175.5 | 176.2 | -173.5 | 0 | 111.4 | A5 G6 C57 W89 K90 F132 | A5-K77 PolarHBondContact O-NZ 3.32Å; G6-K77 PolarHBondContact O-NZ 3.07Å; C57-K77 HydrophobicContact CB-CB 4.23Å; C57-K77 HydrophobicContact CB-CD 3.89Å; C57-K77 HydrophobicContact CB-CG 4.09Å; K77-W89 HydrophobicContact CB-CB 4.4Å; K77-W89 HydrophobicContact CB-CE3 4.46Å; K77-W89 HydrophobicContact CD-CB 4.22Å; K77-W89 HydrophobicContact CD-CD2 3.72Å; K77-W89 HydrophobicContact CD-CE3 3.68Å; K77-W89 HydrophobicContact CD-CG 3.93Å; K77-W89 HydrophobicContact CD-CZ3 4.3Å; K77-W89 HydrophobicContact CG-CD2 4.29Å; K77-W89 HydrophobicContact CG-CE3 3.76Å; K77-W89 HydrophobicContact CG-CZ3 4.31Å; K77-K90 CarbonylContact C-O 3.56Å; K77-K90 VanDerWaalsContact CA-O 3.28Å; K77-K90 WeakPolarHBondContact CA-O 3.38Å; K77-F132 HydrophobicContact CB-CE1 4.33Å; K77-F132 HydrophobicContact CB-CZ 4.23Å; K77-F132 HydrophobicContact CD-CZ 3.8Å |
| 78 | M | 94.8 | Very high | 94.5 | Very high | 94 Ų | 94 | 33.4 Ų | 33.4 | 46% | 0.463 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 133.4 | 172.3 | 168.5 | 170.1 | 50.6 | 0 | 0 | 109.5 | V80 W89 K90 L92 | M78-V80 PolarHBondContact O-N 3.12Å; M78-W89 WeakPolarHBondContact O-CA 3.38Å; M78-K90 HydrophobicContact CE-CD 4.21Å; M78-K90 PolarHBondContact N-O 3.34Å; M78-K90 PolarHBondContact O-N 2.97Å; M78-L92 HydrophobicContact CB-CD1 3.74Å; M78-L92 HydrophobicContact CB-CG 4.26Å; M78-L92 HydrophobicContact CE-CD1 4.23Å; M78-L92 HydrophobicContact CE-CD2 3.96Å |
| 79 | K | 95.8 | Very high | 94.8 | Very high | 95 Ų | 95 | 34.7 Ų | 34.7 | 41% | 0.413 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 126 | 175.3 | -165.7 | 173.1 | 178.6 | 180 | 0 | 109.2 | D82 W89 | K79-D82 WeakPolarHBondContact CE-OD1 3.49Å; K79-D82 IonicContact NZ-OD1 2.85Å; K79-D82 PolarHBondContact NZ-OD1 2.77Å; K79-D82 IonicContact NZ-OD2 3.84Å; K79-D82 PolarHBondContact NZ-OD2 2.98Å; K79-W89 HydrophobicContact CB-CE3 3.82Å; K79-W89 HydrophobicContact CB-CH2 4.13Å; K79-W89 HydrophobicContact CB-CZ3 3.51Å; K79-W89 HydrophobicContact CD-CH2 4.26Å; K79-W89 HydrophobicContact CD-CZ3 4.49Å; K79-W89 HydrophobicContact CG-CE3 4.34Å; K79-W89 HydrophobicContact CG-CH2 4.29Å; K79-W89 HydrophobicContact CG-CZ3 4.09Å |
| 80 | V | 95.8 | Very high | 94.9 | Very high | 43 Ų | 43 | 35.2 Ų | 35.2 | 26% | 0.261 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -41.2 | 174.4 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | M78 V88 K90 Y131 I193 I195 | M78-V80 PolarHBondContact O-N 3.12Å; V80-V88 HydrophobicContact CB-CB 4.48Å; V80-V88 HydrophobicContact CB-CG1 4.38Å; V80-V88 HydrophobicContact CG2-CG1 4.48Å; V80-V88 PolarHBondContact N-O 3.18Å; V80-K90 HydrophobicContact CG2-CB 3.8Å; V80-Y131 HydrophobicContact CG2-CD1 3.85Å; V80-Y131 HydrophobicContact CG2-CE1 3.76Å; V80-I193 HydrophobicContact CG1-CG2 4.22Å; V80-I195 HydrophobicContact CG1-CD1 4.42Å; V80-I195 HydrophobicContact CG1-CG1 4.43Å |
| 81 | G | 95 | Very high | 94.9 | Very high | 16 Ų | 16 | 35 Ų | 35 | 17% | 0.165 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.4 | -172.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | V88 | G81-V88 PolarHBondContact O-N 3.41Å |
| 82 | D | 94.4 | Very high | 94.8 | Very high | 61 Ų | 61 | 37.3 Ų | 37.3 | 33% | 0.326 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 122.3 | 173.9 | -65.2 | -50 | 0 | 0 | 0 | 109.2 | K79 H86 A87 | K79-D82 WeakPolarHBondContact CE-OD1 3.49Å; K79-D82 IonicContact NZ-OD1 2.85Å; K79-D82 PolarHBondContact NZ-OD1 2.77Å; K79-D82 IonicContact NZ-OD2 3.84Å; K79-D82 PolarHBondContact NZ-OD2 2.98Å; D82-H86 CarbonylContact C-O 3.6Å; D82-H86 WeakPolarHBondContact CA-O 3.49Å; D82-A87 WeakPolarHBondContact OD1-CA 3.31Å |
| 83 | L | 93.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 109.3 | 176 | 174.1 | 61.7 | 0 | 0 | 0 | 108 | G85 H86 V88 Y136 L138 I195 I208 I210 I242 | L83-G85 PolarHBondContact O-N 3.31Å; L83-G85 VanDerWaalsContact O-N 3.14Å; L83-H86 PolarHBondContact N-O 3.39Å; L83-H86 WeakPolarHBondContact O-CB 3.4Å; L83-H86 PolarHBondContact O-N 3.12Å; L83-V88 HydrophobicContact CB-CG2 3.56Å; L83-V88 HydrophobicContact CD2-CG2 4.22Å; L83-Y136 HydrophobicContact CD2-CD1 3.86Å; L83-Y136 HydrophobicContact CD2-CE1 3.49Å; L83-Y136 VanDerWaalsContact CD2-CE1 3.49Å; L83-Y136 HydrophobicContact CG-CE1 4.23Å; L83-L138 HydrophobicContact CD2-CD2 3.69Å; L83-I195 HydrophobicContact CB-CD1 4.23Å; L83-I208 HydrophobicContact CD1-CD1 3.72Å; L83-I208 HydrophobicContact CD1-CG2 4.17Å; L83-I210 HydrophobicContact CD1-CD1 4.38Å; L83-I210 HydrophobicContact CD2-CD1 3.79Å; L83-I242 HydrophobicContact CD1-CD1 4.17Å |
| 84 | L | 90.3 | Very high | 94.6 | Very high | 25 Ų | 25 | 41.7 Ų | 41.7 | 13% | 0.131 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 29.5 | -177.5 | -48.5 | 178 | 0 | 0 | 0 | 113.2 | Y136 L142 K249 | L84-Y136 HydrophobicContact CD1-CE2 4.03Å; L84-L142 HydrophobicContact CD1-CD1 3.66Å; L84-K249 HydrophobicContact CD1-CD 4.37Å; L84-K249 HydrophobicContact CD2-CD 3.82Å; L84-K249 HydrophobicContact CD2-CG 4.12Å |
| 85 | G | 90.3 | Very high | 94.7 | Very high | 63 Ų | 63 | 44.8 Ų | 44.8 | 65% | 0.649 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.9 | -7.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L83 | L83-G85 PolarHBondContact O-N 3.31Å; L83-G85 VanDerWaalsContact O-N 3.14Å |
| 86 | H | 93.3 | Very high | 94.8 | Very high | 58 Ų | 58 | 44.9 Ų | 44.9 | 27% | 0.269 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 133.1 | 179.6 | -57.8 | -80.1 | 0 | 0 | 0 | 111.9 | D82 L83 V88 D135 Y136 | D82-H86 CarbonylContact C-O 3.6Å; D82-H86 WeakPolarHBondContact CA-O 3.49Å; L83-H86 PolarHBondContact N-O 3.39Å; L83-H86 WeakPolarHBondContact O-CB 3.4Å; L83-H86 PolarHBondContact O-N 3.12Å; H86-V88 PolarHBondContact O-N 2.88Å; H86-D135 IonicContact CE1-OD2 3.63Å; H86-D135 IonicContact CG-OD2 3.49Å; H86-D135 VanDerWaalsContact ND1-CG 3.26Å; H86-D135 IonicContact ND1-OD1 2.68Å; H86-D135 IonicContact ND1-OD2 3.76Å; H86-D135 PolarHBondContact ND1-OD2 3.37Å; H86-Y136 HydrophobicContact CB-CD2 4.44Å; H86-Y136 HydrophobicContact CB-CG 4.18Å; H86-Y136 AromaticContact CD2-CD2 3.39Å; H86-Y136 WeakPolarHBondContact CD2-CD2 3.32Å; H86-Y136 AromaticContact CD2-CG 4Å; H86-Y136 AromaticContact CG-CD2 3.96Å; H86-Y136 AromaticContact NE2-CD2 3.85Å |
| 87 | A | 95.3 | Very high | 94.8 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 11% | 0.107 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 122.8 | -177 | 0 | 0 | 0 | 0 | 0 | 111.6 | D82 W89 | D82-A87 WeakPolarHBondContact OD1-CA 3.31Å; A87-W89 HydrophobicContact CB-CZ2 3.84Å; A87-W89 PolarHBondContact O-NE1 3.19Å |
| 88 | V | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130 | 174.4 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | V80 G81 L83 H86 L138 I193 I195 | V80-V88 HydrophobicContact CB-CB 4.48Å; V80-V88 HydrophobicContact CB-CG1 4.38Å; V80-V88 HydrophobicContact CG2-CG1 4.48Å; V80-V88 PolarHBondContact N-O 3.18Å; G81-V88 PolarHBondContact O-N 3.41Å; L83-V88 HydrophobicContact CB-CG2 3.56Å; L83-V88 HydrophobicContact CD2-CG2 4.22Å; H86-V88 PolarHBondContact O-N 2.88Å; V88-L138 HydrophobicContact CG1-CD1 4.1Å; V88-L138 HydrophobicContact CG1-CD2 4.45Å; V88-L138 HydrophobicContact CG2-CD2 4.02Å; V88-I193 HydrophobicContact CG1-CD1 4.04Å; V88-I193 HydrophobicContact CG1-CG2 4.33Å; V88-I195 HydrophobicContact CB-CD1 4.28Å; V88-I195 HydrophobicContact CG2-CD1 4.23Å |
| 89 | W | 96.6 | Very high | 94.6 | Very high | 36 Ų | 36 | 36.1 Ų | 36.1 | 14% | 0.136 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 141.8 | -175.9 | -54.9 | 97.3 | 0 | 0 | 0 | 111.3 | K77 M78 K79 A87 Y131 F132 | K77-W89 HydrophobicContact CB-CB 4.4Å; K77-W89 HydrophobicContact CB-CE3 4.46Å; K77-W89 HydrophobicContact CD-CB 4.22Å; K77-W89 HydrophobicContact CD-CD2 3.72Å; K77-W89 HydrophobicContact CD-CE3 3.68Å; K77-W89 HydrophobicContact CD-CG 3.93Å; K77-W89 HydrophobicContact CD-CZ3 4.3Å; K77-W89 HydrophobicContact CG-CD2 4.29Å; K77-W89 HydrophobicContact CG-CE3 3.76Å; K77-W89 HydrophobicContact CG-CZ3 4.31Å; M78-W89 WeakPolarHBondContact O-CA 3.38Å; K79-W89 HydrophobicContact CB-CE3 3.82Å; K79-W89 HydrophobicContact CB-CH2 4.13Å; K79-W89 HydrophobicContact CB-CZ3 3.51Å; K79-W89 HydrophobicContact CD-CH2 4.26Å; K79-W89 HydrophobicContact CD-CZ3 4.49Å; K79-W89 HydrophobicContact CG-CE3 4.34Å; K79-W89 HydrophobicContact CG-CH2 4.29Å; K79-W89 HydrophobicContact CG-CZ3 4.09Å; A87-W89 HydrophobicContact CB-CZ2 3.84Å; A87-W89 PolarHBondContact O-NE1 3.19Å; W89-Y131 CarbonylContact O-C 3.53Å; W89-Y131 VanDerWaalsContact O-CA 3.23Å; W89-Y131 WeakPolarHBondContact O-CA 3.33Å; W89-F132 HydrophobicContact CB-CD1 4.12Å; W89-F132 HydrophobicContact CB-CD2 4.47Å; W89-F132 HydrophobicContact CB-CE1 3.74Å; W89-F132 HydrophobicContact CB-CE2 4.13Å; W89-F132 HydrophobicContact CB-CG 4.47Å; W89-F132 HydrophobicContact CB-CZ 3.76Å; W89-F132 HydrophobicContact CG-CE2 4.35Å; W89-F132 HydrophobicContact CG-CZ 4.28Å; W89-F132 PolarHBondContact N-O 3.01Å; W89-F132 PolarHBondContact O-N 3.44Å |
| 90 | K | 96.7 | Very high | 94.1 | Very high | 29 Ų | 29 | 36.2 Ų | 36.2 | 13% | 0.126 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 123.3 | 168.5 | -173.2 | 177.1 | -175 | 178 | 0 | 109 | K77 M78 V80 L92 D128 L130 Y131 | K77-K90 CarbonylContact C-O 3.56Å; K77-K90 VanDerWaalsContact CA-O 3.28Å; K77-K90 WeakPolarHBondContact CA-O 3.38Å; M78-K90 HydrophobicContact CE-CD 4.21Å; M78-K90 PolarHBondContact N-O 3.34Å; M78-K90 PolarHBondContact O-N 2.97Å; V80-K90 HydrophobicContact CG2-CB 3.8Å; K90-L92 HydrophobicContact CD-CD2 4.34Å; K90-L92 HydrophobicContact CG-CD2 4.3Å; K90-D128 WeakPolarHBondContact CE-OD1 3.36Å; K90-D128 VanDerWaalsContact NZ-CG 3.26Å; K90-D128 IonicContact NZ-OD1 2.78Å; K90-D128 PolarHBondContact NZ-OD1 3.41Å; K90-D128 IonicContact NZ-OD2 3.15Å; K90-D128 PolarHBondContact NZ-OD2 3.14Å; K90-D128 VanDerWaalsContact NZ-OD2 3.1Å; K90-L130 WeakPolarHBondContact CA-O 3.47Å; K90-Y131 HydrophobicContact CB-CD1 3.87Å; K90-Y131 HydrophobicContact CB-CE1 3.81Å; K90-Y131 HydrophobicContact CD-CE1 3.83Å; K90-Y131 HydrophobicContact CG-CD1 4.08Å; K90-Y131 HydrophobicContact CG-CE1 3.74Å |
| 91 | A | 95.8 | Very high | 93.1 | Very high | 7 Ų | 7 | 41.4 Ų | 41.4 | 6% | 0.058 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 135.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110 | I74 F94 L130 F132 | I74-A91 HydrophobicContact CD1-CB 4.24Å; I74-A91 HydrophobicContact CG2-CB 3.94Å; A91-F94 HydrophobicContact CB-CE1 3.8Å; A91-F94 HydrophobicContact CB-CE2 4.36Å; A91-F94 HydrophobicContact CB-CZ 3.42Å; A91-F94 VanDerWaalsContact CB-CZ 3.42Å; A91-L130 HydrophobicContact CB-CB 4.32Å; A91-L130 PolarHBondContact N-O 3.07Å; A91-F132 HydrophobicContact CB-CD1 4.45Å; A91-F132 HydrophobicContact CB-CE1 4.2Å |
| 92 | L | 93.3 | Very high | 92.1 | Very high | 50 Ų | 50 | 44.4 Ų | 44.4 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | -47.3 | -173.5 | -63.8 | -178 | 0 | 0 | 0 | 113.3 | K76 M78 K90 | K76-L92 HydrophobicContact CB-CB 4.23Å; K76-L92 HydrophobicContact CD-CB 4.43Å; K76-L92 HydrophobicContact CD-CD1 4.22Å; K76-L92 HydrophobicContact CG-CB 4.27Å; K76-L92 HydrophobicContact CG-CD1 4.19Å; K76-L92 PolarHBondContact O-N 3.31Å; M78-L92 HydrophobicContact CB-CD1 3.74Å; M78-L92 HydrophobicContact CB-CG 4.26Å; M78-L92 HydrophobicContact CE-CD1 4.23Å; M78-L92 HydrophobicContact CE-CD2 3.96Å; K90-L92 HydrophobicContact CD-CD2 4.34Å; K90-L92 HydrophobicContact CG-CD2 4.3Å |
| 93 | N | 94.8 | Very high | 91.4 | Very high | 76 Ų | 76 | 43.9 Ų | 43.9 | 41% | 0.406 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 150.3 | -178.3 | -65 | 9.3 | 0 | 0 | 0 | 109.9 | T75 K76 | T75-N93 PolarHBondContact N-O 3.4Å; T75-N93 VanDerWaalsContact OG1-CB 3.25Å; T75-N93 WeakPolarHBondContact OG1-CB 3.27Å; T75-N93 PolarHBondContact OG1-O 2.88Å; K76-N93 HydrophobicContact CB-CB 3.78Å; K76-N93 PolarHBondContact N-O 3.44Å; K76-N93 PolarHBondContact O-N 2.83Å |
| 94 | F | 96.3 | Very high | 90.8 | Very high | 16 Ų | 16 | 51.1 Ų | 51.1 | 7% | 0.07 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 145.9 | -175.7 | -52.6 | -97.1 | 0 | 0 | 0 | 110.1 | M60 V73 I74 A91 L125 L130 | M60-F94 HydrophobicContact CE-CE1 4.38Å; M60-F94 HydrophobicContact SD-CE1 4.11Å; V73-F94 WeakPolarHBondContact O-CA 3.4Å; I74-F94 HydrophobicContact CG1-CD1 4.02Å; I74-F94 HydrophobicContact CG1-CE1 3.89Å; A91-F94 HydrophobicContact CB-CE1 3.8Å; A91-F94 HydrophobicContact CB-CE2 4.36Å; A91-F94 HydrophobicContact CB-CZ 3.42Å; A91-F94 VanDerWaalsContact CB-CZ 3.42Å; F94-L125 HydrophobicContact CB-CB 4.34Å; F94-L125 HydrophobicContact CB-CD1 3.93Å; F94-L125 HydrophobicContact CD1-CD2 3.87Å; F94-L125 HydrophobicContact CD2-CB 3.78Å; F94-L125 HydrophobicContact CE1-CD2 4.04Å; F94-L125 HydrophobicContact CE2-CB 4.19Å; F94-L125 WeakPolarHBondContact CE2-O 3.42Å; F94-L125 HydrophobicContact CG-CB 4Å; F94-L125 HydrophobicContact CG-CD1 4.23Å; F94-L125 HydrophobicContact CG-CD2 4.11Å; F94-L125 HydrophobicContact CG-CG 4.34Å; F94-L125 HydrophobicContact CZ-CD2 4.45Å; F94-L130 HydrophobicContact CE1-CD1 4.36Å; F94-L130 HydrophobicContact CE2-CD1 4.25Å; F94-L130 HydrophobicContact CZ-CD1 3.62Å |
| 95 | D | 96.4 | Very high | 90.3 | Very high | 66 Ų | 66 | 54.4 Ų | 54.4 | 35% | 0.353 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 138.5 | 171 | -70.6 | 1.8 | 0 | 0 | 0 | 109.5 | I72 V73 T75 I97 | I72-D95 WeakPolarHBondContact CA-O 3.48Å; V73-D95 HydrophobicContact CG2-CB 3.88Å; V73-D95 PolarHBondContact N-O 3.33Å; V73-D95 VanDerWaalsContact N-O 3.08Å; V73-D95 PolarHBondContact O-N 3.43Å; T75-D95 HydrophobicContact CG2-CB 3.98Å; T75-D95 WeakPolarHBondContact CG2-OD2 3.38Å; D95-I97 HydrophobicContact CB-CD1 4.41Å; D95-I97 HydrophobicContact CB-CG1 4.19Å |
| 96 | I | 96.8 | Very high | 90 | Very high | 41 Ų | 41 | 52.6 Ų | 52.6 | 21% | 0.21 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 104.4 | 178.3 | -56.2 | 169.9 | 0 | 0 | 0 | 107.4 | Y70 V118 I121 L125 | Y70-I96 HydrophobicContact CD1-CG2 3.61Å; Y70-I96 HydrophobicContact CE1-CG2 4.36Å; Y70-I96 HydrophobicContact CG-CG2 4.18Å; I96-V118 HydrophobicContact CD1-CG1 4.35Å; I96-I121 HydrophobicContact CD1-CB 4.25Å; I96-I121 HydrophobicContact CD1-CG2 3.8Å; I96-I121 HydrophobicContact CG1-CG2 4.46Å; I96-L125 HydrophobicContact CD1-CD1 4.04Å; I96-L125 HydrophobicContact CG1-CD1 4Å |
| 97 | I | 95.2 | Very high | 89.6 | Confident | 34 Ų | 34 | 53.8 Ų | 53.8 | 17% | 0.174 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 118.1 | -167.6 | -51.6 | 173.6 | 0 | 0 | 0 | 109.6 | L10 F17 Y70 L71 V73 D95 | L10-I97 HydrophobicContact CD2-CD1 3.48Å; L10-I97 VanDerWaalsContact CD2-CD1 3.48Å; F17-I97 HydrophobicContact CE1-CG2 3.77Å; F17-I97 HydrophobicContact CZ-CG2 3.75Å; Y70-I97 CarbonylContact C-O 3.36Å; Y70-I97 VanDerWaalsContact CA-O 3.32Å; Y70-I97 WeakPolarHBondContact CA-O 3.49Å; L71-I97 PolarHBondContact N-O 3.3Å; L71-I97 PolarHBondContact O-N 3.02Å; V73-I97 HydrophobicContact CG2-CD1 4.1Å; D95-I97 HydrophobicContact CB-CD1 4.41Å; D95-I97 HydrophobicContact CB-CG1 4.19Å |
| 98 | S | 93.4 | Very high | 89.1 | Confident | 23 Ų | 23 | 59.3 Ų | 59.3 | 16% | 0.161 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 138.5 | 178.9 | 178.5 | 0 | 0 | 0 | 0 | 112.3 | R34 Y70 K100 | R34-S98 PolarHBondContact NH2-O 3.42Å; Y70-S98 VanDerWaalsContact CE1-CB 3.48Å; S98-K100 WeakPolarHBondContact CB-O 3.45Å; S98-K100 PolarHBondContact OG-N 3.47Å; S98-K100 PolarHBondContact OG-O 2.89Å |
| 99 | Y | 91.4 | Very high | 88.5 | Confident | 6 Ų | 6 | 64.1 Ų | 64.1 | 2% | 0.024 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -67.2 | -39.5 | 171.2 | -77.6 | 40.5 | 0 | 0 | 0 | 110.2 | F17 I32 R34 T37 T62 M69 L71 | F17-Y99 HydrophobicContact CD2-CE1 4.48Å; F17-Y99 AromaticContact CE2-CD1 3.68Å; F17-Y99 HydrophobicContact CE2-CD1 3.68Å; F17-Y99 AromaticContact CE2-CE1 3.97Å; F17-Y99 HydrophobicContact CE2-CE1 3.97Å; F17-Y99 HydrophobicContact CE2-CG 4.11Å; I32-Y99 HydrophobicContact CG2-CE1 4.48Å; I32-Y99 HydrophobicContact CG2-CE2 3.5Å; I32-Y99 VanDerWaalsContact CG2-CE2 3.5Å; I32-Y99 VanDerWaalsContact CG2-CZ 3.48Å; I32-Y99 WeakPolarHBondContact CG2-OH 3.37Å; R34-Y99 WeakPolarHBondContact CB-O 3.47Å; R34-Y99 PolarHBondContact NE-O 3.38Å; R34-Y99 PolarHBondContact NH2-O 2.9Å; T37-Y99 HydrophobicContact CG2-CD2 4.14Å; T37-Y99 HydrophobicContact CG2-CE2 4.23Å; T62-Y99 WeakPolarHBondContact CG2-OH 3.14Å; M69-Y99 VanDerWaalsContact C-CD1 3.45Å; M69-Y99 HydrophobicContact CB-CD1 3.74Å; M69-Y99 HydrophobicContact CB-CD2 3.62Å; M69-Y99 HydrophobicContact CB-CE1 3.86Å; M69-Y99 HydrophobicContact CB-CE2 3.75Å; M69-Y99 HydrophobicContact CB-CG 3.61Å; M69-Y99 HydrophobicContact CG-CD2 4.5Å; M69-Y99 HydrophobicContact CG-CE2 4.44Å; M69-Y99 WeakPolarHBondContact O-CB 3.45Å; M69-Y99 WeakPolarHBondContact O-CD1 3.39Å; M69-Y99 PolarHBondContact O-N 3.4Å; L71-Y99 HydrophobicContact CB-CE1 3.93Å |
| 100 | K | 84.8 | Confident | 87.9 | Confident | 97 Ų | 97 | 64.5 Ų | 64.5 | 42% | 0.422 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -86.1 | 137.7 | 174.6 | -65.1 | -179 | -176.8 | 162.4 | 0 | 111 | A67 S98 T102 H105 | A67-K100 WeakPolarHBondContact O-CD 3.49Å; S98-K100 WeakPolarHBondContact CB-O 3.45Å; S98-K100 PolarHBondContact OG-N 3.47Å; S98-K100 PolarHBondContact OG-O 2.89Å; K100-T102 VanDerWaalsContact C-N 3.33Å; K100-H105 VanDerWaalsContact CD-CE1 3.46Å; K100-H105 WeakPolarHBondContact CD-CE1 3.45Å; K100-H105 PolarHBondContact NZ-NE2 3.24Å; K100-H105 VanDerWaalsContact NZ-NE2 3.15Å |
| 101 | K | 74.9 | Confident | 87.4 | Confident | 153 Ų | 153 | 66 Ų | 66 | 67% | 0.665 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -69.7 | -29.3 | 174.3 | -74.4 | -170.4 | 179.1 | 178.8 | 0 | 113.3 | ||
| 102 | T | 74.5 | Confident | 87.1 | Confident | 79 Ų | 79 | 70.6 Ų | 70.6 | 49% | 0.485 | 36% | 0.36 | S | S | . | . | trans | -127.3 | 143.6 | -175.6 | 63.1 | 0 | 0 | 0 | 0 | 111.4 | K100 L104 H105 | K100-T102 VanDerWaalsContact C-N 3.33Å; T102-L104 HydrophobicContact CG2-CD1 4.4Å; T102-H105 PolarHBondContact O-ND1 3.07Å | ||
| 103 | V | 79.6 | Confident | 86.9 | Confident | 49 Ų | 49 | 69 Ų | 69 | 30% | 0.297 | 35% | 0.351 | S | S | . | . | trans | -97.4 | 10.8 | 173.7 | -64 | 0 | 0 | 0 | 0 | 112.1 | A67 H105 L106 M111 | A67-V103 HydrophobicContact CB-CG1 3.92Å; V103-H105 PolarHBondContact O-N 2.86Å; V103-H105 VanDerWaalsContact O-N 3.07Å; V103-L106 HydrophobicContact CB-CD1 4.22Å; V103-L106 VanDerWaalsContact O-CB 3.29Å; V103-L106 WeakPolarHBondContact O-CB 3.4Å; V103-L106 PolarHBondContact O-N 2.81Å; V103-M111 HydrophobicContact CG2-CG 4.42Å; V103-M111 HydrophobicContact CG2-SD 4.17Å | ||
| 104 | L | 80.3 | Confident | 86.7 | Confident | 153 Ų | 153 | 65.8 Ų | 65.8 | 80% | 0.801 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -13.6 | -173.9 | -65.3 | 174 | 0 | 0 | 0 | 114.3 | T102 | T102-L104 HydrophobicContact CG2-CD1 4.4Š|
| 105 | H | 80.6 | Confident | 86.5 | Confident | 93 Ų | 93 | 70.5 Ų | 70.5 | 43% | 0.431 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -9.5 | 173.6 | 65.6 | -79.4 | 0 | 0 | 0 | 112.7 | A67 K100 T102 V103 | A67-H105 PolarHBondContact O-CE1 3.38Å; A67-H105 PolarHBondContact O-NE2 3.48Å; K100-H105 VanDerWaalsContact CD-CE1 3.46Å; K100-H105 WeakPolarHBondContact CD-CE1 3.45Å; K100-H105 PolarHBondContact NZ-NE2 3.24Å; K100-H105 VanDerWaalsContact NZ-NE2 3.15Å; T102-H105 PolarHBondContact O-ND1 3.07Å; V103-H105 PolarHBondContact O-N 2.86Å; V103-H105 VanDerWaalsContact O-N 3.07Å |
| 106 | L | 82.7 | Confident | 86.3 | Confident | 25 Ų | 25 | 69 Ų | 69 | 13% | 0.131 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -91.6 | 146.3 | 176.5 | -58 | -176.6 | 0 | 0 | 0 | 110.4 | A67 V103 Q110 N114 | A67-L106 HydrophobicContact CB-CD1 3.9Å; V103-L106 HydrophobicContact CB-CD1 4.22Å; V103-L106 VanDerWaalsContact O-CB 3.29Å; V103-L106 WeakPolarHBondContact O-CB 3.4Å; V103-L106 PolarHBondContact O-N 2.81Å; L106-Q110 HydrophobicContact CB-CB 3.83Å; L106-Q110 HydrophobicContact CD1-CB 4.39Å; L106-Q110 HydrophobicContact CD2-CB 4.12Å; L106-Q110 HydrophobicContact CG-CB 4.33Å; L106-N114 HydrophobicContact CD1-CB 4.14Å |
| 107 | N | 85.7 | Confident | 86.2 | Confident | 83 Ų | 83 | 67 Ų | 67 | 44% | 0.444 | 34% | 0.338 | S | S | . | . | trans | -74.5 | 173.1 | 165.1 | 67.9 | 31 | 0 | 0 | 0 | 111.2 | D109 Q110 M111 | N107-D109 VanDerWaalsContact C-N 3.33Å; N107-D109 PolarHBondContact O-N 2.84Å; N107-D109 PolarHBondContact OD1-N 3.35Å; N107-Q110 PolarHBondContact O-N 2.93Å; N107-Q110 VanDerWaalsContact OD1-CB 3.23Å; N107-Q110 WeakPolarHBondContact OD1-CB 3.46Å; N107-Q110 WeakPolarHBondContact OD1-CG 3.43Å; N107-Q110 PolarHBondContact OD1-N 3.09Å; N107-M111 WeakPolarHBondContact O-CB 3.45Å; N107-M111 PolarHBondContact O-N 3.01Å | ||
| 108 | D | 85.3 | Confident | 86.2 | Confident | 130 Ų | 130 | 67.2 Ų | 67.2 | 70% | 0.695 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.5 | -41.4 | -176.1 | -72.3 | -33.6 | 0 | 0 | 0 | 112.9 | M111 Q112 | D108-M111 PolarHBondContact O-N 2.82Å; D108-Q112 PolarHBondContact O-N 3.35Å |
| 109 | D | 83.4 | Confident | 86.3 | Confident | 100 Ų | 100 | 69.1 Ų | 69.1 | 54% | 0.535 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.4 | -46.3 | 179.2 | -66.3 | -30.8 | 0 | 0 | 0 | 111.4 | N107 M111 Q112 D113 | N107-D109 VanDerWaalsContact C-N 3.33Å; N107-D109 PolarHBondContact O-N 2.84Å; N107-D109 PolarHBondContact OD1-N 3.35Å; D109-M111 VanDerWaalsContact C-N 3.3Å; D109-M111 PolarHBondContact O-N 3.49Å; D109-Q112 WeakPolarHBondContact O-CB 3.39Å; D109-Q112 PolarHBondContact O-N 3.06Å; D109-Q112 VanDerWaalsContact O-N 3.09Å; D109-D113 PolarHBondContact O-N 2.66Å |
| 110 | Q | 84.1 | Confident | 86.6 | Confident | 45 Ų | 45 | 68.9 Ų | 68.9 | 21% | 0.21 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63 | -36.8 | 176 | -74.5 | 170.9 | -23 | 0 | 0 | 111.9 | L106 N107 Q112 D113 N114 | L106-Q110 HydrophobicContact CB-CB 3.83Å; L106-Q110 HydrophobicContact CD1-CB 4.39Å; L106-Q110 HydrophobicContact CD2-CB 4.12Å; L106-Q110 HydrophobicContact CG-CB 4.33Å; N107-Q110 PolarHBondContact O-N 2.93Å; N107-Q110 VanDerWaalsContact OD1-CB 3.23Å; N107-Q110 WeakPolarHBondContact OD1-CB 3.46Å; N107-Q110 WeakPolarHBondContact OD1-CG 3.43Å; N107-Q110 PolarHBondContact OD1-N 3.09Å; Q110-Q112 VanDerWaalsContact C-N 3.3Å; Q110-D113 PolarHBondContact O-N 2.88Å; Q110-N114 VanDerWaalsContact O-CB 3.23Å; Q110-N114 WeakPolarHBondContact O-CB 3.34Å; Q110-N114 PolarHBondContact O-N 3.02Å |
| 111 | M | 87.3 | Confident | 87.1 | Confident | 59 Ų | 59 | 64.3 Ų | 64.3 | 29% | 0.291 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 174.4 | -177.6 | 173.8 | 54 | 0 | 0 | 110.9 | V103 N107 D108 D109 K115 | V103-M111 HydrophobicContact CG2-CG 4.42Å; V103-M111 HydrophobicContact CG2-SD 4.17Å; N107-M111 WeakPolarHBondContact O-CB 3.45Å; N107-M111 PolarHBondContact O-N 3.01Å; D108-M111 PolarHBondContact O-N 2.82Å; D109-M111 VanDerWaalsContact C-N 3.3Å; D109-M111 PolarHBondContact O-N 3.49Å; M111-K115 VanDerWaalsContact O-CG 3.3Å; M111-K115 WeakPolarHBondContact O-CG 3.13Å; M111-K115 PolarHBondContact O-N 2.66Å; M111-K115 VanDerWaalsContact O-N 3.07Å |
| 112 | Q | 88 | Confident | 88.2 | Confident | 105 Ų | 105 | 58.8 Ų | 58.8 | 49% | 0.491 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.7 | -41.3 | 176.3 | -175.1 | 57.3 | 27.3 | 0 | 0 | 112.3 | D108 D109 Q110 K115 T116 | D108-Q112 PolarHBondContact O-N 3.35Å; D109-Q112 WeakPolarHBondContact O-CB 3.39Å; D109-Q112 PolarHBondContact O-N 3.06Å; D109-Q112 VanDerWaalsContact O-N 3.09Å; Q110-Q112 VanDerWaalsContact C-N 3.3Å; Q112-K115 PolarHBondContact O-N 3.3Å; Q112-T116 PolarHBondContact O-N 2.87Å; Q112-T116 PolarHBondContact O-OG1 3.01Å |
| 113 | D | 88.7 | Confident | 89.1 | Confident | 15 Ų | 15 | 57.2 Ų | 57.2 | 8% | 0.08 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.3 | -46 | 174.8 | -73.7 | -20.8 | 0 | 0 | 0 | 110.7 | D109 Q110 K115 T116 F117 T510 | D109-D113 PolarHBondContact O-N 2.66Å; Q110-D113 PolarHBondContact O-N 2.88Å; D113-K115 VanDerWaalsContact C-N 3.33Å; D113-K115 PolarHBondContact O-N 2.93Å; D113-T116 CarbonylContact O-C 3.58Å; D113-T116 WeakPolarHBondContact O-CA 3.39Å; D113-T116 WeakPolarHBondContact O-CB 3.5Å; D113-T116 PolarHBondContact O-N 3.43Å; D113-F117 HydrophobicContact CB-CD2 4.33Å; D113-F117 HydrophobicContact CB-CE2 4.14Å; D113-F117 WeakPolarHBondContact O-CD2 3.35Å; D113-F117 PolarHBondContact O-N 3.28Å; D113-T510 HydrophobicContact CB-CG2 4.21Å; D113-T510 VanDerWaalsContact CG-OG1 3.26Å; D113-T510 WeakPolarHBondContact OD2-CB 3.34Å; D113-T510 WeakPolarHBondContact OD2-CG2 3.43Å; D113-T510 PolarHBondContact OD2-OG1 3.07Å |
| 114 | N | 91.4 | Very high | 89.9 | Confident | 10 Ų | 10 | 55.3 Ų | 55.3 | 5% | 0.053 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.1 | -44.4 | 176.5 | -171.4 | 74.1 | 0 | 0 | 0 | 111.9 | P66 A67 Y70 L106 Q110 T116 F117 V118 | P66-N114 HydrophobicContact CB-CB 4.16Å; P66-N114 HydrophobicContact CG-CB 4.36Å; A67-N114 VanDerWaalsContact CB-OD1 3.29Å; A67-N114 WeakPolarHBondContact CB-OD1 3.25Å; A67-N114 PolarHBondContact N-OD1 2.81Å; Y70-N114 PolarHBondContact OH-ND2 3.09Å; L106-N114 HydrophobicContact CD1-CB 4.14Å; Q110-N114 VanDerWaalsContact O-CB 3.23Å; Q110-N114 WeakPolarHBondContact O-CB 3.34Å; Q110-N114 PolarHBondContact O-N 3.02Å; N114-T116 VanDerWaalsContact C-N 3.26Å; N114-T116 PolarHBondContact O-N 3.32Å; N114-F117 PolarHBondContact O-N 3.31Å; N114-V118 WeakPolarHBondContact O-CB 3.43Å; N114-V118 VanDerWaalsContact O-CG2 3.29Å; N114-V118 WeakPolarHBondContact O-CG2 3.44Å; N114-V118 PolarHBondContact O-N 3.31Å |
| 115 | K | 92.1 | Very high | 90.6 | Very high | 115 Ų | 115 | 48.2 Ų | 48.2 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.3 | -40.9 | 173.4 | -74.5 | 170.7 | -175.4 | 170.9 | 0 | 111.6 | M111 Q112 D113 S119 | M111-K115 VanDerWaalsContact O-CG 3.3Å; M111-K115 WeakPolarHBondContact O-CG 3.13Å; M111-K115 PolarHBondContact O-N 2.66Å; M111-K115 VanDerWaalsContact O-N 3.07Å; Q112-K115 PolarHBondContact O-N 3.3Å; D113-K115 VanDerWaalsContact C-N 3.33Å; D113-K115 PolarHBondContact O-N 2.93Å; K115-S119 WeakPolarHBondContact O-CB 3.48Å; K115-S119 PolarHBondContact O-N 2.71Å |
| 116 | T | 92.8 | Very high | 91.1 | Very high | 34 Ų | 34 | 49.3 Ų | 49.3 | 21% | 0.209 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 178.8 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | Q112 D113 N114 S119 M120 Y489 L512 | Q112-T116 PolarHBondContact O-N 2.87Å; Q112-T116 PolarHBondContact O-OG1 3.01Å; D113-T116 CarbonylContact O-C 3.58Å; D113-T116 WeakPolarHBondContact O-CA 3.39Å; D113-T116 WeakPolarHBondContact O-CB 3.5Å; D113-T116 PolarHBondContact O-N 3.43Å; N114-T116 VanDerWaalsContact C-N 3.26Å; N114-T116 PolarHBondContact O-N 3.32Å; T116-S119 WeakPolarHBondContact O-CB 3.31Å; T116-S119 PolarHBondContact O-N 3.5Å; T116-M120 HydrophobicContact CG2-CE 4.04Å; T116-M120 WeakPolarHBondContact O-CG 3.43Å; T116-M120 PolarHBondContact O-N 2.95Å; T116-Y489 HydrophobicContact CG2-CE2 4.17Å; T116-L512 HydrophobicContact CG2-CD1 4.01Å |
| 117 | F | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 176.9 | -73.3 | -65.2 | 0 | 0 | 0 | 112.6 | L65 P66 D113 N114 S119 M120 I121 L496 Y501 V503 T510 L512 L579 | L65-F117 HydrophobicContact CD1-CB 4.44Å; L65-F117 HydrophobicContact CD2-CB 4.01Å; P66-F117 HydrophobicContact CG-CD2 3.56Å; P66-F117 HydrophobicContact CG-CE2 3.78Å; D113-F117 HydrophobicContact CB-CD2 4.33Å; D113-F117 HydrophobicContact CB-CE2 4.14Å; D113-F117 WeakPolarHBondContact O-CD2 3.35Å; D113-F117 PolarHBondContact O-N 3.28Å; N114-F117 PolarHBondContact O-N 3.31Å; F117-S119 VanDerWaalsContact C-N 3.29Å; F117-S119 PolarHBondContact O-N 2.78Å; F117-M120 HydrophobicContact CD1-SD 4.13Å; F117-M120 WeakPolarHBondContact O-CB 3.3Å; F117-M120 PolarHBondContact O-N 3.4Å; F117-M120 VanDerWaalsContact O-N 3.12Å; F117-I121 PolarHBondContact O-N 3.18Å; F117-L496 HydrophobicContact CB-CD2 4.23Å; F117-L496 HydrophobicContact CD1-CD1 3.86Å; F117-L496 HydrophobicContact CD1-CD2 3.66Å; F117-L496 HydrophobicContact CD1-CG 4.37Å; F117-L496 HydrophobicContact CE1-CD1 4.13Å; F117-L496 HydrophobicContact CG-CD2 4.43Å; F117-Y501 HydrophobicContact CE1-CD1 4.38Å; F117-Y501 AromaticContact CE1-CE1 3.85Å; F117-Y501 HydrophobicContact CE1-CE1 3.85Å; F117-Y501 AromaticContact CZ-CE1 3.98Å; F117-Y501 HydrophobicContact CZ-CE1 3.98Å; F117-V503 HydrophobicContact CE1-CG2 4.27Å; F117-V503 HydrophobicContact CE2-CG2 4.42Å; F117-V503 HydrophobicContact CZ-CG2 4.23Å; F117-T510 HydrophobicContact CE2-CG2 4.24Å; F117-L512 HydrophobicContact CD2-CD1 4.46Å; F117-L512 HydrophobicContact CE1-CD1 4.26Å; F117-L512 HydrophobicContact CE2-CD1 3.93Å; F117-L512 HydrophobicContact CZ-CD1 3.82Å; F117-L512 HydrophobicContact CZ-CG 4.45Å; F117-L579 HydrophobicContact CE1-CD1 4.02Å; F117-L579 HydrophobicContact CE1-CD2 3.9Å; F117-L579 HydrophobicContact CZ-CD2 4.19Å |
| 118 | V | 95.4 | Very high | 91.6 | Very high | 38 Ų | 38 | 50.1 Ų | 50.1 | 23% | 0.23 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 173.9 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | L65 Y70 I96 N114 M120 I121 S122 | L65-V118 HydrophobicContact CD1-CB 4.48Å; L65-V118 HydrophobicContact CD1-CG2 3.56Å; Y70-V118 HydrophobicContact CE1-CG2 4.15Å; I96-V118 HydrophobicContact CD1-CG1 4.35Å; N114-V118 WeakPolarHBondContact O-CB 3.43Å; N114-V118 VanDerWaalsContact O-CG2 3.29Å; N114-V118 WeakPolarHBondContact O-CG2 3.44Å; N114-V118 PolarHBondContact O-N 3.31Å; V118-M120 VanDerWaalsContact C-N 3.32Å; V118-M120 PolarHBondContact O-N 3.13Å; V118-I121 PolarHBondContact O-N 2.96Å; V118-S122 WeakPolarHBondContact O-CB 3.47Å; V118-S122 PolarHBondContact O-N 2.95Å |
| 119 | S | 96.1 | Very high | 92 | Very high | 62 Ų | 62 | 44 Ų | 44 | 43% | 0.434 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.1 | -37.4 | 174.6 | 179.3 | 0 | 0 | 0 | 0 | 112.2 | K115 T116 F117 S122 S123 Y489 | K115-S119 WeakPolarHBondContact O-CB 3.48Å; K115-S119 PolarHBondContact O-N 2.71Å; T116-S119 WeakPolarHBondContact O-CB 3.31Å; T116-S119 PolarHBondContact O-N 3.5Å; F117-S119 VanDerWaalsContact C-N 3.29Å; F117-S119 PolarHBondContact O-N 2.78Å; S119-S122 PolarHBondContact O-N 3.33Å; S119-S123 WeakPolarHBondContact O-CB 3.44Å; S119-S123 PolarHBondContact O-N 2.9Å; S119-Y489 VanDerWaalsContact CB-OH 3.3Å; S119-Y489 WeakPolarHBondContact CB-OH 3.43Å; S119-Y489 PolarHBondContact O-OH 2.9Å; S119-Y489 PolarHBondContact OG-OH 2.87Å |
| 120 | M | 95.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.9 | -47.8 | 176.8 | -76.2 | 176.8 | 170.8 | 0 | 0 | 111.5 | T116 F117 V118 S122 S123 V124 Y489 D492 S493 L496 L512 L579 | T116-M120 HydrophobicContact CG2-CE 4.04Å; T116-M120 WeakPolarHBondContact O-CG 3.43Å; T116-M120 PolarHBondContact O-N 2.95Å; F117-M120 HydrophobicContact CD1-SD 4.13Å; F117-M120 WeakPolarHBondContact O-CB 3.3Å; F117-M120 PolarHBondContact O-N 3.4Å; F117-M120 VanDerWaalsContact O-N 3.12Å; V118-M120 VanDerWaalsContact C-N 3.32Å; V118-M120 PolarHBondContact O-N 3.13Å; M120-S122 VanDerWaalsContact C-N 3.35Å; M120-S122 PolarHBondContact O-N 3.12Å; M120-S123 WeakPolarHBondContact O-CB 3.46Å; M120-S123 PolarHBondContact O-N 2.85Å; M120-V124 PolarHBondContact O-N 3.25Å; M120-Y489 WeakPolarHBondContact CA-OH 3.35Å; M120-Y489 HydrophobicContact CE-CD2 3.69Å; M120-Y489 HydrophobicContact CE-CE2 3.63Å; M120-Y489 HydrophobicContact CG-CD2 4.31Å; M120-Y489 HydrophobicContact CG-CE1 4.31Å; M120-Y489 HydrophobicContact CG-CE2 3.53Å; M120-Y489 WeakPolarHBondContact CG-OH 3.25Å; M120-Y489 PolarHBondContact N-OH 2.76Å; M120-Y489 VanDerWaalsContact N-OH 3.08Å; M120-Y489 HydrophobicContact SD-CE2 4.45Å; M120-D492 HydrophobicContact CE-CB 3.77Å; M120-D492 HydrophobicContact SD-CB 4.31Å; M120-S493 WeakPolarHBondContact CB-OG 3.5Å; M120-S493 WeakPolarHBondContact CG-OG 3.45Å; M120-S493 WeakPolarHBondContact O-CB 3.22Å; M120-L496 HydrophobicContact CB-CD2 3.9Å; M120-L496 HydrophobicContact SD-CD2 4.38Å; M120-L512 HydrophobicContact CE-CD2 3.95Å; M120-L579 HydrophobicContact SD-CD1 4.14Å |
| 121 | I | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.4 | -46.3 | 175 | -64.9 | -57.9 | 0 | 0 | 0 | 111 | I63 L65 I72 I96 F117 V118 S123 V124 L125 L496 F497 | I63-I121 HydrophobicContact CD1-CD1 3.45Å; I63-I121 VanDerWaalsContact CD1-CD1 3.45Å; I63-I121 HydrophobicContact CD1-CG1 4.09Å; L65-I121 HydrophobicContact CD2-CG1 4.49Å; I72-I121 HydrophobicContact CD1-CG2 3.54Å; I96-I121 HydrophobicContact CD1-CB 4.25Å; I96-I121 HydrophobicContact CD1-CG2 3.8Å; I96-I121 HydrophobicContact CG1-CG2 4.46Å; F117-I121 PolarHBondContact O-N 3.18Å; V118-I121 PolarHBondContact O-N 2.96Å; I121-S123 VanDerWaalsContact C-N 3.28Å; I121-S123 PolarHBondContact O-N 3.11Å; I121-V124 PolarHBondContact O-N 2.86Å; I121-L125 HydrophobicContact CG2-CD1 3.85Å; I121-L125 HydrophobicContact CG2-CG 4.32Å; I121-L125 WeakPolarHBondContact O-CG 3.47Å; I121-L125 PolarHBondContact O-N 2.64Å; I121-L496 HydrophobicContact CD1-CD2 3.61Å; I121-L496 HydrophobicContact CD1-CG 3.83Å; I121-L496 HydrophobicContact CG1-CD2 3.76Å; I121-L496 HydrophobicContact CG1-CG 4.46Å; I121-F497 HydrophobicContact CD1-CB 4.19Å; I121-F497 HydrophobicContact CD1-CD2 4.08Å |
| 122 | S | 96.5 | Very high | 93.7 | Very high | 38 Ų | 38 | 34.7 Ų | 34.7 | 27% | 0.266 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -57.9 | -40.4 | 176.6 | -174.9 | 0 | 0 | 0 | 0 | 112.2 | V118 S119 M120 V124 L125 H126 | V118-S122 WeakPolarHBondContact O-CB 3.47Å; V118-S122 PolarHBondContact O-N 2.95Å; S119-S122 PolarHBondContact O-N 3.33Å; M120-S122 VanDerWaalsContact C-N 3.35Å; M120-S122 PolarHBondContact O-N 3.12Å; S122-V124 PolarHBondContact O-N 3.08Å; S122-L125 PolarHBondContact O-N 3.04Å; S122-H126 PolarHBondContact O-N 2.82Å; S122-H126 PolarHBondContact O-ND1 3.22Å; S122-H126 PolarHBondContact OG-CE1 3.15Å; S122-H126 PolarHBondContact OG-ND1 3.02Å |
| 123 | S | 94.3 | Very high | 94.1 | Very high | 46 Ų | 46 | 29.9 Ų | 29.9 | 32% | 0.322 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.1 | -41.2 | 177 | -179.2 | 0 | 0 | 0 | 0 | 112.7 | S119 M120 I121 T127 | S119-S123 WeakPolarHBondContact O-CB 3.44Å; S119-S123 PolarHBondContact O-N 2.9Å; M120-S123 WeakPolarHBondContact O-CB 3.46Å; M120-S123 PolarHBondContact O-N 2.85Å; I121-S123 VanDerWaalsContact C-N 3.28Å; I121-S123 PolarHBondContact O-N 3.11Å; S123-T127 PolarHBondContact O-N 3.04Å; S123-T127 PolarHBondContact O-OG1 2.71Å; S123-T127 VanDerWaalsContact O-OG1 3.07Å |
| 124 | V | 95.3 | Very high | 94.2 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 5% | 0.048 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.2 | -45 | 176.4 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | M120 I121 S122 H126 T127 S493 F497 | M120-V124 PolarHBondContact O-N 3.25Å; I121-V124 PolarHBondContact O-N 2.86Å; S122-V124 PolarHBondContact O-N 3.08Å; V124-H126 VanDerWaalsContact C-N 3.29Å; V124-H126 PolarHBondContact O-N 3.12Å; V124-T127 WeakPolarHBondContact O-CB 3.25Å; V124-T127 PolarHBondContact O-N 2.87Å; V124-T127 PolarHBondContact O-OG1 3.12Å; V124-S493 WeakPolarHBondContact CG2-O 3.23Å; V124-F497 HydrophobicContact CB-CB 4.17Å; V124-F497 HydrophobicContact CB-CD2 4.01Å; V124-F497 HydrophobicContact CB-CG 4.03Å; V124-F497 HydrophobicContact CG1-CB 4.03Å; V124-F497 HydrophobicContact CG1-CD1 3.73Å; V124-F497 HydrophobicContact CG1-CD2 3.89Å; V124-F497 HydrophobicContact CG1-CE1 4.12Å; V124-F497 HydrophobicContact CG1-CE2 4.28Å; V124-F497 HydrophobicContact CG1-CG 3.6Å; V124-F497 HydrophobicContact CG1-CZ 4.38Å; V124-F497 HydrophobicContact CG2-CB 3.96Å; V124-F497 HydrophobicContact CG2-CG 4.37Å |
| 125 | L | 95.1 | Very high | 94.1 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.3 | -37.5 | 179.5 | -69.5 | 174 | 0 | 0 | 0 | 112.7 | M60 I72 F94 I96 I121 S122 T127 F497 | M60-L125 HydrophobicContact CE-CD2 3.97Å; M60-L125 HydrophobicContact CG-CD2 4.26Å; I72-L125 HydrophobicContact CD1-CD1 4.27Å; I72-L125 HydrophobicContact CG2-CD1 3.67Å; I72-L125 HydrophobicContact CG2-CD2 4.26Å; F94-L125 HydrophobicContact CB-CB 4.34Å; F94-L125 HydrophobicContact CB-CD1 3.93Å; F94-L125 HydrophobicContact CD1-CD2 3.87Å; F94-L125 HydrophobicContact CD2-CB 3.78Å; F94-L125 HydrophobicContact CE1-CD2 4.04Å; F94-L125 HydrophobicContact CE2-CB 4.19Å; F94-L125 WeakPolarHBondContact CE2-O 3.42Å; F94-L125 HydrophobicContact CG-CB 4Å; F94-L125 HydrophobicContact CG-CD1 4.23Å; F94-L125 HydrophobicContact CG-CD2 4.11Å; F94-L125 HydrophobicContact CG-CG 4.34Å; F94-L125 HydrophobicContact CZ-CD2 4.45Å; I96-L125 HydrophobicContact CD1-CD1 4.04Å; I96-L125 HydrophobicContact CG1-CD1 4Å; I121-L125 HydrophobicContact CG2-CD1 3.85Å; I121-L125 HydrophobicContact CG2-CG 4.32Å; I121-L125 WeakPolarHBondContact O-CG 3.47Å; I121-L125 PolarHBondContact O-N 2.64Å; S122-L125 PolarHBondContact O-N 3.04Å; L125-T127 PolarHBondContact O-N 2.78Å; L125-F497 HydrophobicContact CD2-CE2 3.67Å; L125-F497 HydrophobicContact CD2-CZ 4.14Å; L125-F497 HydrophobicContact CG-CE2 4.16Å |
| 126 | H | 91.1 | Very high | 94.2 | Very high | 116 Ų | 116 | 29.5 Ų | 29.5 | 54% | 0.537 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 2.5 | 176.2 | -69 | 90.6 | 0 | 0 | 0 | 113.6 | S122 V124 D128 | S122-H126 PolarHBondContact O-N 2.82Å; S122-H126 PolarHBondContact O-ND1 3.22Å; S122-H126 PolarHBondContact OG-CE1 3.15Å; S122-H126 PolarHBondContact OG-ND1 3.02Å; V124-H126 VanDerWaalsContact C-N 3.29Å; V124-H126 PolarHBondContact O-N 3.12Å; H126-D128 PolarHBondContact O-N 3.11Å |
| 127 | T | 90 | Very high | 94.3 | Very high | 43 Ų | 43 | 28.1 Ų | 28.1 | 26% | 0.264 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -73.5 | 124.4 | 171.1 | -61.6 | 0 | 0 | 0 | 0 | 109.5 | S123 V124 L125 Q447 | S123-T127 PolarHBondContact O-N 3.04Å; S123-T127 PolarHBondContact O-OG1 2.71Å; S123-T127 VanDerWaalsContact O-OG1 3.07Å; V124-T127 WeakPolarHBondContact O-CB 3.25Å; V124-T127 PolarHBondContact O-N 2.87Å; V124-T127 PolarHBondContact O-OG1 3.12Å; L125-T127 PolarHBondContact O-N 2.78Å; T127-Q447 HydrophobicContact CG2-CG 4.4Å |
| 128 | D | 88.9 | Confident | 94.4 | Very high | 82 Ų | 82 | 28.4 Ų | 28.4 | 44% | 0.439 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -61.3 | 144.5 | -177.7 | -164 | 30.8 | 0 | 0 | 0 | 113.1 | K90 H126 H190 Q447 | K90-D128 WeakPolarHBondContact CE-OD1 3.36Å; K90-D128 VanDerWaalsContact NZ-CG 3.26Å; K90-D128 IonicContact NZ-OD1 2.78Å; K90-D128 PolarHBondContact NZ-OD1 3.41Å; K90-D128 IonicContact NZ-OD2 3.15Å; K90-D128 PolarHBondContact NZ-OD2 3.14Å; K90-D128 VanDerWaalsContact NZ-OD2 3.1Å; H126-D128 PolarHBondContact O-N 3.11Å; D128-H190 PolarHBondContact O-NE2 3.26Å; D128-Q447 PolarHBondContact O-NE2 3.48Å |
| 129 | G | 93.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | trans | 102.1 | 30.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y131 H190 G191 | G129-Y131 VanDerWaalsContact C-CE2 3.41Å; G129-Y131 VanDerWaalsContact CA-CE2 3.47Å; G129-Y131 WeakPolarHBondContact O-CD2 3.46Å; G129-Y131 VanDerWaalsContact O-CE2 3.26Å; G129-Y131 WeakPolarHBondContact O-CE2 3.46Å; G129-H190 CarbonylContact O-C 3.53Å; G129-H190 WeakPolarHBondContact O-CA 3.47Å; G129-H190 PolarHBondContact O-CD2 3.02Å; G129-H190 VanDerWaalsContact O-CD2 3.25Å; G129-G191 PolarHBondContact O-N 3.27Å | ||
| 130 | L | 97.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 120.1 | 168.7 | -66 | 172.5 | 0 | 0 | 0 | 110.2 | M60 K90 A91 F94 V188 V189 H190 | M60-L130 HydrophobicContact CE-CD1 4.18Å; K90-L130 WeakPolarHBondContact CA-O 3.47Å; A91-L130 HydrophobicContact CB-CB 4.32Å; A91-L130 PolarHBondContact N-O 3.07Å; F94-L130 HydrophobicContact CE1-CD1 4.36Å; F94-L130 HydrophobicContact CE2-CD1 4.25Å; F94-L130 HydrophobicContact CZ-CD1 3.62Å; L130-V188 HydrophobicContact CB-CG1 3.86Å; L130-V188 HydrophobicContact CD2-CG1 3.9Å; L130-V188 HydrophobicContact CG-CG1 4.42Å; L130-V189 WeakPolarHBondContact CA-O 3.26Å; L130-H190 HydrophobicContact CD2-CB 4.13Å |
| 131 | Y | 98 | Very high | 94.7 | Very high | 7 Ų | 7 | 25.1 Ų | 25.1 | 3% | 0.027 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 147.1 | -175.9 | -56.9 | -88.7 | 0 | 0 | 0 | 111.7 | V80 W89 K90 G129 V188 V189 G191 I193 | V80-Y131 HydrophobicContact CG2-CD1 3.85Å; V80-Y131 HydrophobicContact CG2-CE1 3.76Å; W89-Y131 CarbonylContact O-C 3.53Å; W89-Y131 VanDerWaalsContact O-CA 3.23Å; W89-Y131 WeakPolarHBondContact O-CA 3.33Å; K90-Y131 HydrophobicContact CB-CD1 3.87Å; K90-Y131 HydrophobicContact CB-CE1 3.81Å; K90-Y131 HydrophobicContact CD-CE1 3.83Å; K90-Y131 HydrophobicContact CG-CD1 4.08Å; K90-Y131 HydrophobicContact CG-CE1 3.74Å; G129-Y131 VanDerWaalsContact C-CE2 3.41Å; G129-Y131 VanDerWaalsContact CA-CE2 3.47Å; G129-Y131 WeakPolarHBondContact O-CD2 3.46Å; G129-Y131 VanDerWaalsContact O-CE2 3.26Å; G129-Y131 WeakPolarHBondContact O-CE2 3.46Å; Y131-V188 WeakPolarHBondContact O-CA 3.48Å; Y131-V189 PolarHBondContact N-O 3.31Å; Y131-V189 PolarHBondContact O-N 2.73Å; Y131-G191 WeakPolarHBondContact CE2-O 3.29Å; Y131-I193 HydrophobicContact CD1-CB 4.08Å; Y131-I193 HydrophobicContact CD1-CD1 4.22Å; Y131-I193 HydrophobicContact CD1-CG1 4.19Å; Y131-I193 HydrophobicContact CD2-CD1 4.21Å; Y131-I193 HydrophobicContact CD2-CG1 3.97Å; Y131-I193 HydrophobicContact CE1-CB 4.06Å; Y131-I193 HydrophobicContact CE1-CG1 4.49Å; Y131-I193 HydrophobicContact CE2-CG1 4.29Å; Y131-I193 HydrophobicContact CG-CB 4.33Å; Y131-I193 HydrophobicContact CG-CD1 3.8Å; Y131-I193 HydrophobicContact CG-CG1 3.92Å |
| 132 | F | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 160.6 | 174.7 | 68.6 | -79.9 | 0 | 0 | 0 | 110.8 | I74 K77 W89 A91 Y186 V188 | I74-F132 HydrophobicContact CD1-CD1 4.2Å; I74-F132 HydrophobicContact CD1-CE1 3.84Å; I74-F132 HydrophobicContact CD1-CZ 4.19Å; K77-F132 HydrophobicContact CB-CE1 4.33Å; K77-F132 HydrophobicContact CB-CZ 4.23Å; K77-F132 HydrophobicContact CD-CZ 3.8Å; W89-F132 HydrophobicContact CB-CD1 4.12Å; W89-F132 HydrophobicContact CB-CD2 4.47Å; W89-F132 HydrophobicContact CB-CE1 3.74Å; W89-F132 HydrophobicContact CB-CE2 4.13Å; W89-F132 HydrophobicContact CB-CG 4.47Å; W89-F132 HydrophobicContact CB-CZ 3.76Å; W89-F132 HydrophobicContact CG-CE2 4.35Å; W89-F132 HydrophobicContact CG-CZ 4.28Å; W89-F132 PolarHBondContact N-O 3.01Å; W89-F132 PolarHBondContact O-N 3.44Å; A91-F132 HydrophobicContact CB-CD1 4.45Å; A91-F132 HydrophobicContact CB-CE1 4.2Å; F132-Y186 AromaticContact CD2-CD2 3.7Å; F132-Y186 HydrophobicContact CD2-CD2 3.7Å; F132-Y186 HydrophobicContact CD2-CE2 4.44Å; F132-Y186 HydrophobicContact CD2-CG 4.05Å; F132-Y186 AromaticContact CE2-CD2 3.81Å; F132-Y186 HydrophobicContact CE2-CD2 3.81Å; F132-Y186 HydrophobicContact CE2-CE2 4.19Å; F132-V188 HydrophobicContact CB-CG2 4.21Å |
| 133 | A | 94.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 3% | 0.025 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 156.3 | 169 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y136 L138 | A133-Y136 WeakPolarHBondContact CB-O 3.48Å; A133-L138 HydrophobicContact CB-CD1 3.98Å; A133-L138 HydrophobicContact CB-CD2 4.5Å; A133-L138 HydrophobicContact CB-CG 4Å |
| 134 | T | 91.1 | Very high | 94.8 | Very high | 30 Ų | 30 | 25.1 Ų | 25.1 | 18% | 0.184 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -90.8 | -22.6 | -174.4 | 46.2 | 0 | 0 | 0 | 0 | 112.9 | L157 Y186 | T134-L157 WeakPolarHBondContact O-CD1 3.32Å; T134-Y186 HydrophobicContact CG2-CE1 4.14Å; T134-Y186 HydrophobicContact CG2-CE2 4.12Å |
| 135 | D | 90.6 | Very high | 94.7 | Very high | 78 Ų | 78 | 25.9 Ų | 25.9 | 42% | 0.417 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -142.4 | 2.3 | -168 | 60.8 | -26.2 | 0 | 0 | 0 | 113 | H86 | H86-D135 IonicContact CE1-OD2 3.63Å; H86-D135 IonicContact CG-OD2 3.49Å; H86-D135 VanDerWaalsContact ND1-CG 3.26Å; H86-D135 IonicContact ND1-OD1 2.68Å; H86-D135 IonicContact ND1-OD2 3.76Å; H86-D135 PolarHBondContact ND1-OD2 3.37Å |
| 136 | Y | 93.4 | Very high | 94.6 | Very high | 25 Ų | 25 | 27.7 Ų | 27.7 | 10% | 0.098 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -130.6 | 141.4 | -179.4 | -173.8 | -93 | 0 | 0 | 0 | 111.5 | L83 L84 H86 A133 L138 L145 | L83-Y136 HydrophobicContact CD2-CD1 3.86Å; L83-Y136 HydrophobicContact CD2-CE1 3.49Å; L83-Y136 VanDerWaalsContact CD2-CE1 3.49Å; L83-Y136 HydrophobicContact CG-CE1 4.23Å; L84-Y136 HydrophobicContact CD1-CE2 4.03Å; H86-Y136 HydrophobicContact CB-CD2 4.44Å; H86-Y136 HydrophobicContact CB-CG 4.18Å; H86-Y136 AromaticContact CD2-CD2 3.39Å; H86-Y136 WeakPolarHBondContact CD2-CD2 3.32Å; H86-Y136 AromaticContact CD2-CG 4Å; H86-Y136 AromaticContact CG-CD2 3.96Å; H86-Y136 AromaticContact NE2-CD2 3.85Å; A133-Y136 WeakPolarHBondContact CB-O 3.48Å; Y136-L138 HydrophobicContact CD1-CD2 3.91Å; Y136-L138 HydrophobicContact CD1-CG 4.44Å; Y136-L138 HydrophobicContact CE1-CD2 4.28Å; Y136-L138 PolarHBondContact O-N 3.28Å; Y136-L145 HydrophobicContact CE1-CD1 4.37Å; Y136-L145 HydrophobicContact CE2-CD1 4.2Å; Y136-L145 WeakPolarHBondContact OH-CD1 3.46Å |
| 137 | D | 95.5 | Very high | 94.6 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | trans | -86.4 | 103.5 | 178.2 | -176.3 | 0.8 | 0 | 0 | 0 | 111.3 | T139 H140 L145 L157 | D137-T139 VanDerWaalsContact C-N 3.29Å; D137-T139 PolarHBondContact O-N 2.8Å; D137-T139 WeakPolarHBondContact OD1-CA 3.46Å; D137-T139 VanDerWaalsContact OD1-CB 3.28Å; D137-T139 WeakPolarHBondContact OD1-CB 3.17Å; D137-T139 PolarHBondContact OD1-N 2.91Å; D137-T139 PolarHBondContact OD1-OG1 2.91Å; D137-T139 PolarHBondContact OD2-OG1 3.29Å; D137-H140 IonicContact OD1-ND1 3.59Å; D137-H140 IonicContact OD2-CE1 3.71Å; D137-H140 IonicContact OD2-CG 2.82Å; D137-H140 IonicContact OD2-ND1 3.29Å; D137-H140 PolarHBondContact OD2-ND1 3.25Å; D137-L145 HydrophobicContact CB-CD2 4.2Å; D137-L157 HydrophobicContact CB-CD2 4.25Å | ||
| 138 | L | 96.9 | Very high | 94.6 | Very high | 7 Ų | 7 | 26.2 Ų | 26.2 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -76.9 | -12.2 | 176.9 | -65.8 | 176.7 | 0 | 0 | 0 | 114 | L83 V88 A133 Y136 V189 I193 R212 | L83-L138 HydrophobicContact CD2-CD2 3.69Å; V88-L138 HydrophobicContact CG1-CD1 4.1Å; V88-L138 HydrophobicContact CG1-CD2 4.45Å; V88-L138 HydrophobicContact CG2-CD2 4.02Å; A133-L138 HydrophobicContact CB-CD1 3.98Å; A133-L138 HydrophobicContact CB-CD2 4.5Å; A133-L138 HydrophobicContact CB-CG 4Å; Y136-L138 HydrophobicContact CD1-CD2 3.91Å; Y136-L138 HydrophobicContact CD1-CG 4.44Å; Y136-L138 HydrophobicContact CE1-CD2 4.28Å; Y136-L138 PolarHBondContact O-N 3.28Å; L138-V189 HydrophobicContact CB-CG2 3.94Å; L138-I193 HydrophobicContact CD1-CD1 4.21Å; L138-I193 HydrophobicContact CD2-CD1 4.35Å; L138-R212 VanDerWaalsContact O-CD 3.29Å; L138-R212 WeakPolarHBondContact O-CD 3.47Å |
| 139 | T | 97.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -83 | -27.8 | -173.2 | 71.8 | 0 | 0 | 0 | 0 | 112.4 | D137 R144 A161 D162 F165 V166 P187 V189 R212 | D137-T139 VanDerWaalsContact C-N 3.29Å; D137-T139 PolarHBondContact O-N 2.8Å; D137-T139 WeakPolarHBondContact OD1-CA 3.46Å; D137-T139 VanDerWaalsContact OD1-CB 3.28Å; D137-T139 WeakPolarHBondContact OD1-CB 3.17Å; D137-T139 PolarHBondContact OD1-N 2.91Å; D137-T139 PolarHBondContact OD1-OG1 2.91Å; D137-T139 PolarHBondContact OD2-OG1 3.29Å; T139-R144 PolarHBondContact O-NH2 3.14Å; T139-R144 VanDerWaalsContact O-NH2 3.1Å; T139-A161 HydrophobicContact CG2-CB 4.07Å; T139-A161 WeakPolarHBondContact OG1-CA 3.35Å; T139-D162 PolarHBondContact OG1-N 3.08Å; T139-F165 HydrophobicContact CG2-CB 4.41Å; T139-F165 VanDerWaalsContact O-CD2 3.22Å; T139-F165 WeakPolarHBondContact O-CD2 3.26Å; T139-V166 HydrophobicContact CG2-CG2 4.07Å; T139-P187 HydrophobicContact CG2-CB 4.49Å; T139-V189 HydrophobicContact CG2-CG2 3.87Å; T139-R212 WeakPolarHBondContact O-CD 3.22Å |
| 140 | H | 97.2 | Very high | 94.4 | Very high | 24 Ų | 24 | 29.6 Ų | 29.6 | 11% | 0.111 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -92.2 | 151.4 | 175.7 | -74.2 | 85.8 | 0 | 0 | 0 | 112.2 | D137 R144 L145 F152 R160 D162 | D137-H140 IonicContact OD1-ND1 3.59Å; D137-H140 IonicContact OD2-CE1 3.71Å; D137-H140 IonicContact OD2-CG 2.82Å; D137-H140 IonicContact OD2-ND1 3.29Å; D137-H140 PolarHBondContact OD2-ND1 3.25Å; H140-R144 HydrophobicContact CB-CB 4.2Å; H140-R144 PolarHBondContact CD2-NE 2.87Å; H140-L145 HydrophobicContact CB-CD1 4.24Å; H140-L145 HydrophobicContact CB-CD2 3.66Å; H140-L145 HydrophobicContact CB-CG 3.6Å; H140-F152 AromaticContact CE1-CZ 3.99Å; H140-R160 PolarHBondContact CE1-O 3.11Å; H140-D162 PolarHBondContact CE1-N 2.93Å; H140-D162 VanDerWaalsContact CE1-N 3.27Å |
| 141 | S | 97.6 | Very high | 94 | Very high | 7 Ų | 7 | 35 Ų | 35 | 5% | 0.049 | 20% | 0.2 | C | C | . | . | trans | -76.1 | 161.2 | 166.7 | 68.7 | 0 | 0 | 0 | 0 | 110.4 | Q143 R144 L145 E240 | S141-Q143 VanDerWaalsContact C-N 3.25Å; S141-Q143 PolarHBondContact O-N 2.63Å; S141-R144 PolarHBondContact O-N 3.17Å; S141-R144 WeakPolarHBondContact OG-CG 3.24Å; S141-R144 PolarHBondContact OG-N 3.49Å; S141-L145 PolarHBondContact O-N 2.84Å; S141-E240 WeakPolarHBondContact CA-OE2 3.28Å; S141-E240 WeakPolarHBondContact CB-OE1 3.3Å | ||
| 142 | L | 96.6 | Very high | 93.7 | Very high | 14 Ų | 14 | 36.8 Ų | 36.8 | 7% | 0.073 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57 | -40.7 | 178.4 | -172.8 | 63.3 | 0 | 0 | 0 | 112 | L84 L145 A146 E240 I242 K249 F368 | L84-L142 HydrophobicContact CD1-CD1 3.66Å; L142-L145 PolarHBondContact O-N 2.68Å; L142-A146 WeakPolarHBondContact O-CB 3.24Å; L142-A146 PolarHBondContact O-N 3.1Å; L142-E240 WeakPolarHBondContact CB-OE1 3.32Å; L142-E240 PolarHBondContact N-OE1 3.14Å; L142-I242 HydrophobicContact CD2-CG2 4.44Å; L142-K249 HydrophobicContact CD2-CB 3.84Å; L142-F368 HydrophobicContact CB-CD1 4.31Å; L142-F368 HydrophobicContact CB-CE1 4.47Å; L142-F368 HydrophobicContact CD2-CD1 3.96Å; L142-F368 HydrophobicContact CD2-CE1 4.01Å; L142-F368 HydrophobicContact CG-CD1 3.96Å; L142-F368 HydrophobicContact CG-CE1 3.77Å |
| 143 | Q | 97.2 | Very high | 93.1 | Very high | 37 Ų | 37 | 41.8 Ų | 41.8 | 17% | 0.173 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.6 | -41.7 | 176.2 | -179.2 | 168.9 | -45.5 | 0 | 0 | 112.1 | S141 A146 N147 F368 Q380 | S141-Q143 VanDerWaalsContact C-N 3.25Å; S141-Q143 PolarHBondContact O-N 2.63Å; Q143-A146 PolarHBondContact O-N 3.15Å; Q143-N147 WeakPolarHBondContact O-CB 3.44Å; Q143-N147 PolarHBondContact O-N 2.58Å; Q143-N147 PolarHBondContact O-ND2 2.87Å; Q143-F368 HydrophobicContact CB-CB 3.97Å; Q143-F368 HydrophobicContact CB-CD1 4.17Å; Q143-F368 HydrophobicContact CB-CD2 3.63Å; Q143-F368 HydrophobicContact CB-CE2 4.17Å; Q143-F368 HydrophobicContact CB-CG 3.64Å; Q143-F368 HydrophobicContact CG-CB 4.46Å; Q143-F368 HydrophobicContact CG-CD2 3.55Å; Q143-F368 HydrophobicContact CG-CE2 4.02Å; Q143-F368 HydrophobicContact CG-CG 4.08Å; Q143-Q380 PolarHBondContact NE2-O 3.08Å; Q143-Q380 VanDerWaalsContact OE1-CB 3.26Å |
| 144 | R | 95.6 | Very high | 92.7 | Very high | 33 Ų | 33 | 48.3 Ų | 48.3 | 13% | 0.125 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 177.7 | -73.5 | -162.9 | -65.7 | -106.5 | -0.5 | 110.6 | T139 H140 S141 A146 N147 T148 D162 E238 | T139-R144 PolarHBondContact O-NH2 3.14Å; T139-R144 VanDerWaalsContact O-NH2 3.1Å; H140-R144 HydrophobicContact CB-CB 4.2Å; H140-R144 PolarHBondContact CD2-NE 2.87Å; S141-R144 PolarHBondContact O-N 3.17Å; S141-R144 WeakPolarHBondContact OG-CG 3.24Å; S141-R144 PolarHBondContact OG-N 3.49Å; R144-A146 VanDerWaalsContact C-N 3.31Å; R144-A146 PolarHBondContact O-N 2.78Å; R144-N147 PolarHBondContact O-N 2.87Å; R144-T148 VanDerWaalsContact O-CG2 3.3Å; R144-T148 WeakPolarHBondContact O-CG2 3.44Å; R144-T148 PolarHBondContact O-N 3.42Å; R144-D162 IonicContact CZ-OD2 3.56Å; R144-D162 IonicContact NE-OD2 3.61Å; R144-D162 IonicContact NH2-OD2 2.76Å; R144-D162 PolarHBondContact NH2-OD2 2.75Å; R144-E238 IonicContact CZ-OE1 3.6Å; R144-E238 IonicContact CZ-OE2 3.96Å; R144-E238 IonicContact NH1-OE1 3.07Å; R144-E238 IonicContact NH1-OE2 3.69Å; R144-E238 PolarHBondContact NH1-OE2 2.94Å; R144-E238 IonicContact NH2-OE1 3.52Å; R144-E238 PolarHBondContact NH2-OE1 3.21Å; R144-E238 VanDerWaalsContact NH2-OE1 3.13Å; R144-E238 IonicContact NH2-OE2 3.85Å; R144-E238 PolarHBondContact NH2-OE2 3.13Å; R144-E238 VanDerWaalsContact NH2-OE2 3.15Å |
| 145 | L | 94 | Very high | 92.7 | Very high | 24 Ų | 24 | 51 Ų | 51 | 13% | 0.126 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.6 | -32.8 | 177.8 | -69 | 173.9 | 0 | 0 | 0 | 113.3 | Y136 D137 H140 S141 L142 N147 T148 | Y136-L145 HydrophobicContact CE1-CD1 4.37Å; Y136-L145 HydrophobicContact CE2-CD1 4.2Å; Y136-L145 WeakPolarHBondContact OH-CD1 3.46Å; D137-L145 HydrophobicContact CB-CD2 4.2Å; H140-L145 HydrophobicContact CB-CD1 4.24Å; H140-L145 HydrophobicContact CB-CD2 3.66Å; H140-L145 HydrophobicContact CB-CG 3.6Å; S141-L145 PolarHBondContact O-N 2.84Å; L142-L145 PolarHBondContact O-N 2.68Å; L145-N147 VanDerWaalsContact C-N 3.29Å; L145-T148 PolarHBondContact O-OG1 3.25Å |
| 146 | A | 92.6 | Very high | 92.8 | Very high | 43 Ų | 43 | 48.8 Ų | 48.8 | 36% | 0.355 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -72.8 | -23.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L142 Q143 R144 F368 | L142-A146 WeakPolarHBondContact O-CB 3.24Å; L142-A146 PolarHBondContact O-N 3.1Å; Q143-A146 PolarHBondContact O-N 3.15Å; R144-A146 VanDerWaalsContact C-N 3.31Å; R144-A146 PolarHBondContact O-N 2.78Å; A146-F368 HydrophobicContact CB-CE1 4.01Å; A146-F368 HydrophobicContact CB-CE2 4.01Å; A146-F368 HydrophobicContact CB-CZ 3.27Å |
| 147 | N | 91.3 | Very high | 92.7 | Very high | 93 Ų | 93 | 48.9 Ų | 48.9 | 50% | 0.497 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 7.1 | -177.3 | -69.2 | -21.4 | 0 | 0 | 0 | 113.3 | Q143 R144 L145 | Q143-N147 WeakPolarHBondContact O-CB 3.44Å; Q143-N147 PolarHBondContact O-N 2.58Å; Q143-N147 PolarHBondContact O-ND2 2.87Å; R144-N147 PolarHBondContact O-N 2.87Å; L145-N147 VanDerWaalsContact C-N 3.29Å |
| 148 | T | 91.3 | Very high | 92.5 | Very high | 34 Ų | 34 | 48.9 Ų | 48.9 | 21% | 0.209 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -88.5 | 157.1 | 176.2 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | R144 L145 F152 | R144-T148 VanDerWaalsContact O-CG2 3.3Å; R144-T148 WeakPolarHBondContact O-CG2 3.44Å; R144-T148 PolarHBondContact O-N 3.42Å; L145-T148 PolarHBondContact O-OG1 3.25Å; T148-F152 VanDerWaalsContact CB-CD1 3.41Å; T148-F152 HydrophobicContact CG2-CD1 3.41Å; T148-F152 VanDerWaalsContact CG2-CD1 3.41Å; T148-F152 HydrophobicContact CG2-CD2 4.43Å; T148-F152 HydrophobicContact CG2-CE1 3.52Å; T148-F152 HydrophobicContact CG2-CG 3.89Å; T148-F152 HydrophobicContact CG2-CZ 4.07Å |
| 149 | S | 90.4 | Very high | 92.3 | Very high | 61 Ų | 61 | 53.2 Ų | 53.2 | 43% | 0.427 | 29% | 0.289 | S | S | . | . | trans | -70.3 | 157.9 | 175.3 | 58.4 | 0 | 0 | 0 | 0 | 111.5 | D151 F152 Q153 | S149-D151 PolarHBondContact O-N 3.04Å; S149-F152 WeakPolarHBondContact O-CB 3.4Å; S149-F152 PolarHBondContact O-N 2.95Å; S149-F152 PolarHBondContact OG-N 2.9Å; S149-Q153 PolarHBondContact O-N 2.84Å | ||
| 150 | P | 87.4 | Confident | 92.1 | Very high | 93 Ų | 93 | 54.8 Ų | 54.8 | 60% | 0.604 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -53.2 | -42.6 | 170.3 | -26.9 | 35.9 | 0 | 0 | 0 | 112.5 | F152 Q153 D154 | P150-F152 PolarHBondContact O-N 2.5Å; P150-F152 VanDerWaalsContact O-N 3.17Å; P150-Q153 WeakPolarHBondContact O-CA 3.47Å; P150-Q153 WeakPolarHBondContact O-CB 3.08Å; P150-Q153 PolarHBondContact O-N 2.87Å; P150-D154 PolarHBondContact O-N 3.43Å; P150-D154 VanDerWaalsContact O-N 3.12Å |
| 151 | D | 89.2 | Confident | 92 | Very high | 118 Ų | 118 | 54 Ų | 54 | 63% | 0.631 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -56.4 | -35.1 | 177.3 | -54.7 | -17.7 | 0 | 0 | 0 | 112.8 | S149 Q153 D154 M155 | S149-D151 PolarHBondContact O-N 3.04Å; D151-Q153 VanDerWaalsContact C-N 3.33Å; D151-D154 PolarHBondContact O-N 3.1Å; D151-M155 WeakPolarHBondContact O-CG 3.49Å; D151-M155 PolarHBondContact O-N 3.28Å |
| 152 | F | 90.8 | Very high | 91.9 | Very high | 44 Ų | 44 | 54.6 Ų | 54.6 | 19% | 0.193 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -71 | -30.2 | 175.7 | -178.8 | -85.9 | 0 | 0 | 0 | 112.2 | H140 T148 S149 P150 D154 M155 R160 | H140-F152 AromaticContact CE1-CZ 3.99Å; T148-F152 VanDerWaalsContact CB-CD1 3.41Å; T148-F152 HydrophobicContact CG2-CD1 3.41Å; T148-F152 VanDerWaalsContact CG2-CD1 3.41Å; T148-F152 HydrophobicContact CG2-CD2 4.43Å; T148-F152 HydrophobicContact CG2-CE1 3.52Å; T148-F152 HydrophobicContact CG2-CG 3.89Å; T148-F152 HydrophobicContact CG2-CZ 4.07Å; S149-F152 WeakPolarHBondContact O-CB 3.4Å; S149-F152 PolarHBondContact O-N 2.95Å; S149-F152 PolarHBondContact OG-N 2.9Å; P150-F152 PolarHBondContact O-N 2.5Å; P150-F152 VanDerWaalsContact O-N 3.17Å; F152-D154 VanDerWaalsContact C-N 3.32Å; F152-M155 HydrophobicContact CD2-SD 4.16Å; F152-R160 HydrophobicContact CD1-CB 4.34Å; F152-R160 HydrophobicContact CD2-CB 4.36Å; F152-R160 HydrophobicContact CE1-CB 3.83Å; F152-R160 HydrophobicContact CE1-CG 4.21Å; F152-R160 HydrophobicContact CE2-CB 3.86Å; F152-R160 HydrophobicContact CZ-CB 3.59Å; F152-R160 HydrophobicContact CZ-CG 4.3Å; F152-R160 VanDerWaalsContact CZ-O 3.31Å; F152-R160 WeakPolarHBondContact CZ-O 3.09Å; F152-R160 WeakPolarHBondContact O-CD 3.48Å |
| 153 | Q | 84 | Confident | 91.9 | Very high | 105 Ų | 105 | 57.5 Ų | 57.5 | 49% | 0.491 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -75.1 | -25.2 | 177 | -62 | -176.8 | 8.6 | 0 | 0 | 112.2 | S149 P150 D151 R160 | S149-Q153 PolarHBondContact O-N 2.84Å; P150-Q153 WeakPolarHBondContact O-CA 3.47Å; P150-Q153 WeakPolarHBondContact O-CB 3.08Å; P150-Q153 PolarHBondContact O-N 2.87Å; D151-Q153 VanDerWaalsContact C-N 3.33Å; Q153-R160 PolarHBondContact O-NH1 3.13Å |
| 154 | D | 86.9 | Confident | 91.8 | Very high | 140 Ų | 140 | 57 Ų | 57 | 75% | 0.749 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -79.8 | -18.3 | 175.1 | -67.6 | -25.6 | 0 | 0 | 0 | 113.2 | P150 D151 F152 | P150-D154 PolarHBondContact O-N 3.43Å; P150-D154 VanDerWaalsContact O-N 3.12Å; D151-D154 PolarHBondContact O-N 3.1Å; F152-D154 VanDerWaalsContact C-N 3.32Å |
| 155 | M | 91.1 | Very high | 91.9 | Very high | 86 Ų | 86 | 55.4 Ų | 55.4 | 42% | 0.424 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -62.1 | 149.7 | 172.6 | -68.1 | 176.7 | -174.6 | 0 | 0 | 111.5 | D151 F152 E159 R160 | D151-M155 WeakPolarHBondContact O-CG 3.49Å; D151-M155 PolarHBondContact O-N 3.28Å; F152-M155 HydrophobicContact CD2-SD 4.16Å; M155-E159 HydrophobicContact CB-CB 4.27Å; M155-R160 HydrophobicContact CB-CB 4.06Å |
| 156 | S | 91.7 | Very high | 92.1 | Very high | 31 Ų | 31 | 54.5 Ų | 54.5 | 22% | 0.217 | 29% | 0.294 | C | S | . | . | trans | -60.9 | 156.8 | 174.2 | 67.9 | 0 | 0 | 0 | 0 | 111.4 | L158 E159 R160 H182 | S156-L158 PolarHBondContact O-N 3.32Å; S156-L158 VanDerWaalsContact O-N 3.14Å; S156-E159 WeakPolarHBondContact CB-OE2 3.29Å; S156-E159 PolarHBondContact N-OE2 3.45Å; S156-E159 PolarHBondContact O-N 2.91Å; S156-E159 VanDerWaalsContact OG-CD 3.24Å; S156-E159 VanDerWaalsContact OG-CG 3.29Å; S156-E159 WeakPolarHBondContact OG-CG 3.35Å; S156-E159 PolarHBondContact OG-N 3.22Å; S156-E159 PolarHBondContact OG-OE2 2.82Å; S156-R160 WeakPolarHBondContact O-CG 3.44Å; S156-R160 PolarHBondContact O-N 3.31Å; S156-R160 VanDerWaalsContact O-N 3.15Å; S156-H182 PolarHBondContact OG-ND1 2.71Å | ||
| 157 | L | 92.3 | Very high | 92.3 | Very high | 27 Ų | 27 | 52.5 Ų | 52.5 | 14% | 0.141 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55.2 | -34.2 | 176.8 | -67.9 | -177.8 | 0 | 0 | 0 | 112.4 | T134 D137 A161 P187 | T134-L157 WeakPolarHBondContact O-CD1 3.32Å; D137-L157 HydrophobicContact CB-CD2 4.25Å; L157-A161 VanDerWaalsContact O-CB 3.26Å; L157-A161 WeakPolarHBondContact O-CB 3.43Å; L157-A161 PolarHBondContact O-N 3.34Å; L157-P187 HydrophobicContact CB-CG 4.24Å; L157-P187 WeakPolarHBondContact O-CG 3.5Å |
| 158 | L | 91.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71.8 | -43.8 | -178.5 | -174.1 | 55 | 0 | 0 | 0 | 112.5 | S156 L172 F175 M176 V185 P187 | S156-L158 PolarHBondContact O-N 3.32Å; S156-L158 VanDerWaalsContact O-N 3.14Å; L158-L172 HydrophobicContact CD1-CB 4.3Å; L158-L172 HydrophobicContact CD1-CD1 3.51Å; L158-F175 HydrophobicContact CD2-CB 4.36Å; L158-M176 HydrophobicContact CD1-CG 4.03Å; L158-M176 HydrophobicContact CD1-SD 4.43Å; L158-M176 HydrophobicContact CD2-CG 3.69Å; L158-M176 HydrophobicContact CG-CG 3.83Å; L158-V185 HydrophobicContact CD2-CG2 3.93Å; L158-P187 HydrophobicContact CD1-CG 4.31Å |
| 159 | E | 91.8 | Very high | 92.9 | Very high | 98 Ų | 98 | 47 Ų | 47 | 46% | 0.458 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.5 | -40.7 | -179 | -73.1 | 162.8 | 141 | 0 | 0 | 112.2 | M155 S156 H182 | M155-E159 HydrophobicContact CB-CB 4.27Å; S156-E159 WeakPolarHBondContact CB-OE2 3.29Å; S156-E159 PolarHBondContact N-OE2 3.45Å; S156-E159 PolarHBondContact O-N 2.91Å; S156-E159 VanDerWaalsContact OG-CD 3.24Å; S156-E159 VanDerWaalsContact OG-CG 3.29Å; S156-E159 WeakPolarHBondContact OG-CG 3.35Å; S156-E159 PolarHBondContact OG-N 3.22Å; S156-E159 PolarHBondContact OG-OE2 2.82Å; E159-H182 VanDerWaalsContact CG-CE1 3.44Å; E159-H182 WeakPolarHBondContact CG-CE1 3.38Å; E159-H182 IonicContact OE1-CE1 3.21Å; E159-H182 IonicContact OE1-ND1 3.57Å; E159-H182 IonicContact OE2-ND1 3.48Å |
| 160 | R | 92.9 | Very high | 93.1 | Very high | 35 Ų | 35 | 45.8 Ų | 45.8 | 13% | 0.132 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -86.4 | -10.3 | -174.6 | 82.2 | -175.5 | -176.7 | -169.8 | -2.3 | 113.8 | H140 F152 Q153 M155 S156 | H140-R160 PolarHBondContact CE1-O 3.11Å; F152-R160 HydrophobicContact CD1-CB 4.34Å; F152-R160 HydrophobicContact CD2-CB 4.36Å; F152-R160 HydrophobicContact CE1-CB 3.83Å; F152-R160 HydrophobicContact CE1-CG 4.21Å; F152-R160 HydrophobicContact CE2-CB 3.86Å; F152-R160 HydrophobicContact CZ-CB 3.59Å; F152-R160 HydrophobicContact CZ-CG 4.3Å; F152-R160 VanDerWaalsContact CZ-O 3.31Å; F152-R160 WeakPolarHBondContact CZ-O 3.09Å; F152-R160 WeakPolarHBondContact O-CD 3.48Å; Q153-R160 PolarHBondContact O-NH1 3.13Å; M155-R160 HydrophobicContact CB-CB 4.06Å; S156-R160 WeakPolarHBondContact O-CG 3.44Å; S156-R160 PolarHBondContact O-N 3.31Å; S156-R160 VanDerWaalsContact O-N 3.15Å |
| 161 | A | 95.1 | Very high | 93.5 | Very high | 7 Ų | 7 | 41.4 Ų | 41.4 | 6% | 0.058 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -63.1 | 140 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T139 L157 Q163 V166 P187 | T139-A161 HydrophobicContact CG2-CB 4.07Å; T139-A161 WeakPolarHBondContact OG1-CA 3.35Å; L157-A161 VanDerWaalsContact O-CB 3.26Å; L157-A161 WeakPolarHBondContact O-CB 3.43Å; L157-A161 PolarHBondContact O-N 3.34Å; A161-Q163 PolarHBondContact O-N 3.48Å; A161-Q163 VanDerWaalsContact O-N 3.11Å; A161-Q163 PolarHBondContact O-NE2 3.44Å; A161-Q163 VanDerWaalsContact O-NE2 3.12Å; A161-V166 HydrophobicContact CB-CG2 3.58Å; A161-P187 HydrophobicContact CB-CB 4.18Å; A161-P187 HydrophobicContact CB-CG 4.05Å |
| 162 | D | 96.4 | Very high | 93.9 | Very high | 19 Ų | 19 | 35.8 Ų | 35.8 | 10% | 0.102 | 18% | 0.179 | C | C | . | . | trans | -70.5 | 104.8 | 171.2 | -172 | -25 | 0 | 0 | 0 | 109.5 | T139 H140 R144 R164 F165 | T139-D162 PolarHBondContact OG1-N 3.08Å; H140-D162 PolarHBondContact CE1-N 2.93Å; H140-D162 VanDerWaalsContact CE1-N 3.27Å; R144-D162 IonicContact CZ-OD2 3.56Å; R144-D162 IonicContact NE-OD2 3.61Å; R144-D162 IonicContact NH2-OD2 2.76Å; R144-D162 PolarHBondContact NH2-OD2 2.75Å; D162-R164 PolarHBondContact O-N 2.92Å; D162-R164 VanDerWaalsContact OD1-CB 3.29Å; D162-R164 WeakPolarHBondContact OD1-CB 3.48Å; D162-R164 VanDerWaalsContact OD1-CG 3.32Å; D162-R164 WeakPolarHBondContact OD1-CG 3.39Å; D162-R164 IonicContact OD1-CZ 2.79Å; D162-R164 PolarHBondContact OD1-N 2.89Å; D162-R164 VanDerWaalsContact OD1-N 3.14Å; D162-R164 IonicContact OD1-NE 3.79Å; D162-R164 PolarHBondContact OD1-NE 3.49Å; D162-R164 IonicContact OD1-NH2 3.66Å; D162-R164 IonicContact OD2-CZ 3.53Å; D162-R164 VanDerWaalsContact OD2-CZ 3.28Å; D162-R164 IonicContact OD2-NE 3.55Å; D162-R164 PolarHBondContact OD2-NE 3.33Å; D162-R164 IonicContact OD2-NH2 3.49Å; D162-R164 PolarHBondContact OD2-NH2 3.41Å; D162-F165 HydrophobicContact CB-CD2 4.09Å; D162-F165 PolarHBondContact O-N 3.26Å | ||
| 163 | Q | 95.6 | Very high | 93.9 | Very high | 75 Ų | 75 | 40 Ų | 40 | 35% | 0.35 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -56.5 | -23.4 | -174.1 | -62.3 | -56.7 | -50.4 | 0 | 0 | 113.5 | A161 F165 V166 C215 F216 | A161-Q163 PolarHBondContact O-N 3.48Å; A161-Q163 VanDerWaalsContact O-N 3.11Å; A161-Q163 PolarHBondContact O-NE2 3.44Å; A161-Q163 VanDerWaalsContact O-NE2 3.12Å; Q163-F165 PolarHBondContact O-N 2.81Å; Q163-V166 PolarHBondContact O-N 3.13Å; Q163-C215 PolarHBondContact O-SG 3.27Å; Q163-F216 HydrophobicContact CB-CZ 4.3Å |
| 164 | R | 96.4 | Very high | 94.2 | Very high | 27 Ų | 27 | 38.1 Ų | 38.1 | 10% | 0.102 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -59.5 | -29.1 | 174.3 | -62 | 178 | -63.3 | 154.6 | -4.5 | 111.9 | D162 S214 C215 F216 Y298 | D162-R164 PolarHBondContact O-N 2.92Å; D162-R164 VanDerWaalsContact OD1-CB 3.29Å; D162-R164 WeakPolarHBondContact OD1-CB 3.48Å; D162-R164 VanDerWaalsContact OD1-CG 3.32Å; D162-R164 WeakPolarHBondContact OD1-CG 3.39Å; D162-R164 IonicContact OD1-CZ 2.79Å; D162-R164 PolarHBondContact OD1-N 2.89Å; D162-R164 VanDerWaalsContact OD1-N 3.14Å; D162-R164 IonicContact OD1-NE 3.79Å; D162-R164 PolarHBondContact OD1-NE 3.49Å; D162-R164 IonicContact OD1-NH2 3.66Å; D162-R164 IonicContact OD2-CZ 3.53Å; D162-R164 VanDerWaalsContact OD2-CZ 3.28Å; D162-R164 IonicContact OD2-NE 3.55Å; D162-R164 PolarHBondContact OD2-NE 3.33Å; D162-R164 IonicContact OD2-NH2 3.49Å; D162-R164 PolarHBondContact OD2-NH2 3.41Å; R164-S214 CarbonylContact O-C 3.54Å; R164-S214 WeakPolarHBondContact O-CA 3.4Å; R164-C215 PolarHBondContact O-N 3.02Å; R164-C215 PolarHBondContact O-SG 2.97Å; R164-F216 HydrophobicContact CB-CD2 4.41Å; R164-F216 HydrophobicContact CB-CE2 4.31Å; R164-F216 HydrophobicContact CG-CD2 3.77Å; R164-F216 HydrophobicContact CG-CE2 3.47Å; R164-F216 VanDerWaalsContact CG-CE2 3.47Å; R164-F216 HydrophobicContact CG-CZ 4.22Å; R164-Y298 PolarHBondContact NH1-OH 2.83Å |
| 165 | F | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -113.3 | 2.1 | -172.7 | -55 | -62 | 0 | 0 | 0 | 113.9 | T139 D162 Q163 W167 R212 F236 E238 | T139-F165 HydrophobicContact CG2-CB 4.41Å; T139-F165 VanDerWaalsContact O-CD2 3.22Å; T139-F165 WeakPolarHBondContact O-CD2 3.26Å; D162-F165 HydrophobicContact CB-CD2 4.09Å; D162-F165 PolarHBondContact O-N 3.26Å; Q163-F165 PolarHBondContact O-N 2.81Å; F165-W167 PolarHBondContact O-N 3Å; F165-R212 HydrophobicContact CB-CB 4.37Å; F165-R212 HydrophobicContact CD1-CB 3.44Å; F165-R212 VanDerWaalsContact CD1-CB 3.44Å; F165-R212 HydrophobicContact CD2-CB 4.44Å; F165-R212 HydrophobicContact CE1-CB 3.7Å; F165-R212 WeakPolarHBondContact CE1-O 3.29Å; F165-R212 HydrophobicContact CG-CB 3.83Å; F165-R212 HydrophobicContact CG-CG 4.5Å; F165-R212 HydrophobicContact CZ-CB 4.31Å; F165-F236 HydrophobicContact CE1-CD1 4.45Å; F165-F236 HydrophobicContact CZ-CE1 4.18Å; F165-E238 HydrophobicContact CE1-CB 4.13Å; F165-E238 HydrophobicContact CZ-CB 3.7Å |
| 166 | V | 97.6 | Very high | 94.4 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.024 | 15% | 0.146 | C | C | . | . | trans | -86.7 | 92 | 175.9 | -170.1 | 0 | 0 | 0 | 0 | 109.9 | T139 A161 Q163 N168 G169 P187 | T139-V166 HydrophobicContact CG2-CG2 4.07Å; A161-V166 HydrophobicContact CB-CG2 3.58Å; Q163-V166 PolarHBondContact O-N 3.13Å; V166-N168 VanDerWaalsContact C-N 3.34Å; V166-N168 PolarHBondContact O-N 3.21Å; V166-G169 PolarHBondContact O-N 3.47Å; V166-G169 VanDerWaalsContact O-N 3.13Å; V166-P187 HydrophobicContact CG1-CB 4.08Å; V166-P187 HydrophobicContact CG2-CB 4.24Å | ||
| 167 | W | 97.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -30.7 | -175.9 | -91.7 | 65.1 | 0 | 0 | 0 | 113.7 | F165 G169 V188 H190 R213 C215 A218 F497 L498 | F165-W167 PolarHBondContact O-N 3Å; W167-G169 VanDerWaalsContact C-N 3.28Å; W167-V188 PolarHBondContact N-O 3.15Å; W167-H190 HydrophobicContact CB-CB 4.28Å; W167-H190 VanDerWaalsContact CD1-CB 3.43Å; W167-H190 HydrophobicContact CD2-CB 3.34Å; W167-H190 AromaticContact CD2-CG 3.96Å; W167-H190 AromaticContact CD2-ND1 3.98Å; W167-H190 AromaticContact CE2-CG 3.95Å; W167-H190 AromaticContact CE2-ND1 3.75Å; W167-H190 HydrophobicContact CE3-CB 4.02Å; W167-H190 AromaticContact CE3-ND1 3.94Å; W167-H190 HydrophobicContact CG-CB 3.41Å; W167-H190 VanDerWaalsContact CG-CB 3.41Å; W167-H190 AromaticContact CH2-ND1 3.51Å; W167-H190 HydrophobicContact CZ2-CB 4.07Å; W167-H190 AromaticContact CZ2-ND1 3.53Å; W167-H190 AromaticContact CZ3-ND1 3.71Å; W167-R213 VanDerWaalsContact CH2-NH1 3.32Å; W167-R213 HydrophobicContact CZ2-CB 4.43Å; W167-R213 HydrophobicContact CZ2-CG 3.95Å; W167-R213 PolarHBondContact NE1-O 2.98Å; W167-C215 HydrophobicContact CG-CB 4.42Å; W167-A218 HydrophobicContact CH2-CB 3.95Å; W167-A218 HydrophobicContact CZ2-CB 4.02Å; W167-F497 VanDerWaalsContact O-CE1 3.24Å; W167-F497 WeakPolarHBondContact O-CE1 3.24Å; W167-L498 HydrophobicContact CD2-CD2 4.23Å; W167-L498 HydrophobicContact CE3-CD2 3.92Å; W167-L498 HydrophobicContact CH2-CD1 4.5Å; W167-L498 HydrophobicContact CZ3-CD1 4.41Å; W167-L498 HydrophobicContact CZ3-CD2 4.34Å; W167-L498 WeakPolarHBondContact O-CD2 3.5Å |
| 168 | N | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 11.8 | 173.1 | 64.3 | -31 | 0 | 0 | 0 | 113.5 | M60 V166 H170 L171 L172 Y186 V188 | M60-N168 HydrophobicContact CE-CB 3.94Å; M60-N168 HydrophobicContact CG-CB 4.36Å; M60-N168 PolarHBondContact O-ND2 3.12Å; M60-N168 HydrophobicContact SD-CB 4.19Å; V166-N168 VanDerWaalsContact C-N 3.34Å; V166-N168 PolarHBondContact O-N 3.21Å; N168-H170 PolarHBondContact O-N 3.39Å; N168-H170 VanDerWaalsContact O-N 3.16Å; N168-L171 HydrophobicContact CB-CD1 3.92Å; N168-L171 WeakPolarHBondContact O-CA 3.48Å; N168-L171 WeakPolarHBondContact O-CB 3.48Å; N168-L171 PolarHBondContact O-N 3.32Å; N168-L172 WeakPolarHBondContact ND2-CD1 3.42Å; N168-L172 WeakPolarHBondContact O-CG 3.48Å; N168-L172 PolarHBondContact O-N 2.68Å; N168-L172 VanDerWaalsContact O-N 3.07Å; N168-Y186 PolarHBondContact ND2-O 3.21Å; N168-V188 HydrophobicContact CB-CB 4.47Å; N168-V188 PolarHBondContact OD1-N 3.12Å |
| 169 | G | 96.4 | Very high | 93.9 | Very high | 11 Ų | 11 | 39.3 Ų | 39.3 | 11% | 0.113 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -35.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V166 W167 L171 L172 | V166-G169 PolarHBondContact O-N 3.47Å; V166-G169 VanDerWaalsContact O-N 3.13Å; W167-G169 VanDerWaalsContact C-N 3.28Å; G169-L171 VanDerWaalsContact C-N 3.35Å; G169-L171 PolarHBondContact O-N 2.76Å; G169-L172 PolarHBondContact O-N 2.86Å |
| 170 | H | 95.8 | Very high | 93.8 | Very high | 35 Ų | 35 | 39 Ų | 39 | 16% | 0.162 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -41 | 172.9 | 179.4 | 38.1 | 0 | 0 | 0 | 112.8 | N168 L172 R173 G499 | N168-H170 PolarHBondContact O-N 3.39Å; N168-H170 VanDerWaalsContact O-N 3.16Å; H170-L172 VanDerWaalsContact C-N 3.26Å; H170-L172 PolarHBondContact O-N 2.88Å; H170-R173 PolarHBondContact CE1-NH1 2.94Å; H170-R173 PolarHBondContact ND1-NE 3.45Å; H170-R173 VanDerWaalsContact ND1-NE 3.16Å; H170-R173 PolarHBondContact ND1-NH1 3.12Å; H170-R173 PolarHBondContact ND1-NH2 3.12Å; H170-R173 VanDerWaalsContact O-CG 3.27Å; H170-R173 WeakPolarHBondContact O-CG 3.37Å; H170-R173 PolarHBondContact O-N 3.41Å; H170-G499 WeakPolarHBondContact CD2-CA 3.02Å; H170-G499 PolarHBondContact CD2-N 2.75Å; H170-G499 VanDerWaalsContact CG-CA 3.48Å; H170-G499 WeakPolarHBondContact NE2-CA 3.4Å |
| 171 | L | 96.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -18.9 | -179.8 | -60.3 | 111.9 | 0 | 0 | 0 | 113 | G61 T62 I63 I72 N168 G169 F497 | G61-L171 CarbonylContact C-O 3.55Å; G61-L171 VanDerWaalsContact CA-O 3.31Å; G61-L171 WeakPolarHBondContact CA-O 3.12Å; T62-L171 PolarHBondContact N-O 2.85Å; T62-L171 VanDerWaalsContact O-CA 3.24Å; T62-L171 WeakPolarHBondContact O-CA 3.46Å; I63-L171 HydrophobicContact CB-CD2 4.04Å; I63-L171 HydrophobicContact CG2-CD2 4.42Å; I72-L171 HydrophobicContact CD1-CD2 3.4Å; I72-L171 VanDerWaalsContact CD1-CD2 3.4Å; I72-L171 HydrophobicContact CG1-CD2 4.13Å; N168-L171 HydrophobicContact CB-CD1 3.92Å; N168-L171 WeakPolarHBondContact O-CA 3.48Å; N168-L171 WeakPolarHBondContact O-CB 3.48Å; N168-L171 PolarHBondContact O-N 3.32Å; G169-L171 VanDerWaalsContact C-N 3.35Å; G169-L171 PolarHBondContact O-N 2.76Å; L171-F497 HydrophobicContact CD1-CD1 4.42Å; L171-F497 HydrophobicContact CD1-CD2 4.17Å; L171-F497 HydrophobicContact CD1-CE1 3.97Å; L171-F497 HydrophobicContact CD1-CE2 3.67Å; L171-F497 HydrophobicContact CD1-CZ 3.56Å |
| 172 | L | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 1.8 | -180 | -63.4 | -175.7 | 0 | 0 | 0 | 113.4 | M60 L158 N168 G169 H170 E174 F175 M176 V185 | M60-L172 WeakPolarHBondContact O-CD2 3.27Å; L158-L172 HydrophobicContact CD1-CB 4.3Å; L158-L172 HydrophobicContact CD1-CD1 3.51Å; N168-L172 WeakPolarHBondContact ND2-CD1 3.42Å; N168-L172 WeakPolarHBondContact O-CG 3.48Å; N168-L172 PolarHBondContact O-N 2.68Å; N168-L172 VanDerWaalsContact O-N 3.07Å; G169-L172 PolarHBondContact O-N 2.86Å; H170-L172 VanDerWaalsContact C-N 3.26Å; H170-L172 PolarHBondContact O-N 2.88Å; L172-E174 VanDerWaalsContact C-N 3.31Å; L172-E174 PolarHBondContact O-N 2.87Å; L172-F175 HydrophobicContact CD2-CD2 4.25Å; L172-F175 WeakPolarHBondContact O-CB 3.4Å; L172-F175 PolarHBondContact O-N 3.11Å; L172-M176 WeakPolarHBondContact O-CG 3.46Å; L172-M176 PolarHBondContact O-N 3.31Å; L172-V185 HydrophobicContact CD2-CB 3.68Å; L172-V185 HydrophobicContact CD2-CG1 3.73Å; L172-V185 HydrophobicContact CD2-CG2 4.2Å |
| 173 | R | 92.3 | Very high | 93 | Very high | 133 Ų | 133 | 42.1 Ų | 42.1 | 50% | 0.502 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -41.6 | -174.7 | -76.8 | 179.7 | -175.9 | 177.2 | 5.2 | 113.9 | H170 F175 M176 | H170-R173 PolarHBondContact CE1-NH1 2.94Å; H170-R173 PolarHBondContact ND1-NE 3.45Å; H170-R173 VanDerWaalsContact ND1-NE 3.16Å; H170-R173 PolarHBondContact ND1-NH1 3.12Å; H170-R173 PolarHBondContact ND1-NH2 3.12Å; H170-R173 VanDerWaalsContact O-CG 3.27Å; H170-R173 WeakPolarHBondContact O-CG 3.37Å; H170-R173 PolarHBondContact O-N 3.41Å; R173-F175 VanDerWaalsContact C-N 3.31Å; R173-M176 HydrophobicContact CB-CE 4.46Å; R173-M176 HydrophobicContact CG-CE 4.03Å |
| 174 | E | 89.5 | Confident | 92.7 | Very high | 66 Ų | 66 | 38.6 Ų | 38.6 | 31% | 0.308 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -27 | 179.2 | -66.4 | 178.3 | 158.5 | 0 | 0 | 112.6 | M39 T62 M69 L172 T177 | M39-E174 HydrophobicContact CE-CB 3.73Å; M39-E174 HydrophobicContact CE-CG 4.47Å; M39-E174 WeakPolarHBondContact CE-OE2 3.5Å; M39-E174 HydrophobicContact SD-CB 4.34Å; T62-E174 WeakPolarHBondContact CB-OE2 3.35Å; T62-E174 PolarHBondContact OG1-OE2 3.11Å; M69-E174 WeakPolarHBondContact CE-OE1 3.45Å; M69-E174 WeakPolarHBondContact CE-OE2 3.35Å; L172-E174 VanDerWaalsContact C-N 3.31Å; L172-E174 PolarHBondContact O-N 2.87Å; E174-T177 PolarHBondContact O-OG1 3.31Å; E174-T177 VanDerWaalsContact O-OG1 3.06Å |
| 175 | F | 92.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -34.3 | 178.1 | -62.1 | -92 | 0 | 0 | 0 | 111.9 | L30 M39 V59 T62 L158 L172 R173 T177 Q178 L181 H182 V185 | L30-F175 HydrophobicContact CD2-CE1 3.89Å; M39-F175 HydrophobicContact CE-CE1 4.41Å; M39-F175 HydrophobicContact CE-CE2 3.92Å; M39-F175 HydrophobicContact CE-CZ 3.84Å; M39-F175 HydrophobicContact SD-CD1 4.11Å; M39-F175 HydrophobicContact SD-CE1 3.73Å; M39-F175 HydrophobicContact SD-CE2 4.2Å; M39-F175 HydrophobicContact SD-CZ 3.78Å; V59-F175 HydrophobicContact CG1-CZ 3.98Å; T62-F175 HydrophobicContact CG2-CE2 4.01Å; T62-F175 HydrophobicContact CG2-CZ 4.28Å; L158-F175 HydrophobicContact CD2-CB 4.36Å; L172-F175 HydrophobicContact CD2-CD2 4.25Å; L172-F175 WeakPolarHBondContact O-CB 3.4Å; L172-F175 PolarHBondContact O-N 3.11Å; R173-F175 VanDerWaalsContact C-N 3.31Å; F175-T177 PolarHBondContact O-N 3.12Å; F175-Q178 PolarHBondContact O-N 3.24Å; F175-L181 HydrophobicContact CD1-CB 4.13Å; F175-L181 HydrophobicContact CD1-CD1 4.26Å; F175-H182 PolarHBondContact O-CD2 3.31Å; F175-H182 VanDerWaalsContact O-CD2 3.26Å; F175-H182 PolarHBondContact O-NE2 3.1Å; F175-V185 HydrophobicContact CB-CG1 4.4Å; F175-V185 HydrophobicContact CB-CG2 4Å; F175-V185 HydrophobicContact CD1-CG1 3.51Å; F175-V185 HydrophobicContact CD1-CG2 4.26Å; F175-V185 HydrophobicContact CD2-CG1 4.03Å; F175-V185 HydrophobicContact CE1-CG1 3.65Å; F175-V185 HydrophobicContact CE2-CG1 4.17Å; F175-V185 HydrophobicContact CG-CG1 3.71Å; F175-V185 HydrophobicContact CG-CG2 4.21Å; F175-V185 HydrophobicContact CZ-CG1 3.99Å |
| 176 | M | 89.3 | Confident | 92.3 | Very high | 73 Ų | 73 | 38.2 Ų | 38.2 | 36% | 0.36 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.3 | -178.3 | -75.6 | -166.6 | -68.7 | 0 | 0 | 114.1 | L158 L172 R173 | L158-M176 HydrophobicContact CD1-CG 4.03Å; L158-M176 HydrophobicContact CD1-SD 4.43Å; L158-M176 HydrophobicContact CD2-CG 3.69Å; L158-M176 HydrophobicContact CG-CG 3.83Å; L172-M176 WeakPolarHBondContact O-CG 3.46Å; L172-M176 PolarHBondContact O-N 3.31Å; R173-M176 HydrophobicContact CB-CE 4.46Å; R173-M176 HydrophobicContact CG-CE 4.03Å |
| 177 | T | 87.6 | Confident | 92.2 | Very high | 106 Ų | 106 | 38.6 Ų | 38.6 | 65% | 0.65 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84 | -15 | -179.4 | 58.1 | 0 | 0 | 0 | 0 | 113.1 | E174 F175 | E174-T177 PolarHBondContact O-OG1 3.31Å; E174-T177 VanDerWaalsContact O-OG1 3.06Å; F175-T177 PolarHBondContact O-N 3.12Å |
| 178 | Q | 89.4 | Confident | 92.2 | Very high | 56 Ų | 56 | 38.5 Ų | 38.5 | 26% | 0.262 | 19% | 0.188 | S | C | . | . | trans | -127.4 | 96.5 | -174.5 | -65.6 | -173.8 | 9 | 0 | 0 | 110.3 | F175 E180 L181 H182 | F175-Q178 PolarHBondContact O-N 3.24Å; Q178-E180 HydrophobicContact CB-CG 4.44Å; Q178-E180 PolarHBondContact O-N 3.06Å; Q178-E180 VanDerWaalsContact O-N 3.1Å; Q178-L181 HydrophobicContact CB-CB 4.39Å; Q178-L181 HydrophobicContact CB-CD1 3.96Å; Q178-L181 HydrophobicContact CB-CG 3.74Å; Q178-L181 HydrophobicContact CG-CD1 4.5Å; Q178-L181 WeakPolarHBondContact O-CB 3.44Å; Q178-L181 PolarHBondContact O-N 2.86Å; Q178-H182 PolarHBondContact O-CD2 3.05Å; Q178-H182 VanDerWaalsContact O-CD2 3.31Å | ||
| 179 | P | 89.1 | Confident | 92.2 | Very high | 77 Ų | 77 | 38.6 Ų | 38.6 | 50% | 0.5 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -53.1 | -33.7 | -177.5 | -28.5 | 36.2 | 0 | 0 | 0 | 114.8 | L181 H182 | P179-L181 PolarHBondContact O-N 3.07Å; P179-H182 WeakPolarHBondContact O-CB 3.48Å; P179-H182 PolarHBondContact O-N 3.43Å; P179-H182 VanDerWaalsContact O-N 3.16Å |
| 180 | E | 88.5 | Confident | 92.3 | Very high | 91 Ų | 91 | 38.3 Ų | 38.3 | 43% | 0.425 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -60.5 | -25.1 | 177.2 | 61.2 | -92.1 | -149.7 | 0 | 0 | 113.5 | L41 Q178 | L41-E180 HydrophobicContact CD1-CB 3.82Å; L41-E180 HydrophobicContact CD1-CG 3.93Å; L41-E180 HydrophobicContact CG-CG 4.48Å; Q178-E180 HydrophobicContact CB-CG 4.44Å; Q178-E180 PolarHBondContact O-N 3.06Å; Q178-E180 VanDerWaalsContact O-N 3.1Å |
| 181 | L | 90.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -86.4 | -13.5 | -180 | -56.6 | -166.5 | 0 | 0 | 0 | 113.7 | L30 M39 L41 F175 Q178 P179 R183 F184 | L30-L181 HydrophobicContact CD1-CD1 4.31Å; L30-L181 HydrophobicContact CD1-CD2 3.88Å; M39-L181 HydrophobicContact CB-CD1 3.68Å; M39-L181 HydrophobicContact CG-CD1 4.45Å; M39-L181 HydrophobicContact SD-CD1 3.96Å; L41-L181 HydrophobicContact CD2-CD2 3.64Å; L41-L181 HydrophobicContact CG-CD2 4.05Å; F175-L181 HydrophobicContact CD1-CB 4.13Å; F175-L181 HydrophobicContact CD1-CD1 4.26Å; Q178-L181 HydrophobicContact CB-CB 4.39Å; Q178-L181 HydrophobicContact CB-CD1 3.96Å; Q178-L181 HydrophobicContact CB-CG 3.74Å; Q178-L181 HydrophobicContact CG-CD1 4.5Å; Q178-L181 WeakPolarHBondContact O-CB 3.44Å; Q178-L181 PolarHBondContact O-N 2.86Å; P179-L181 PolarHBondContact O-N 3.07Å; L181-R183 PolarHBondContact O-N 2.89Å; L181-F184 PolarHBondContact O-N 3.17Å |
| 182 | H | 90.8 | Very high | 92.4 | Very high | 15 Ų | 15 | 37.6 Ų | 37.6 | 7% | 0.069 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -60.3 | -23.9 | -172 | -66.3 | -177.9 | 0 | 0 | 0 | 113.2 | S156 E159 F175 Q178 P179 F184 V185 | S156-H182 PolarHBondContact OG-ND1 2.71Å; E159-H182 VanDerWaalsContact CG-CE1 3.44Å; E159-H182 WeakPolarHBondContact CG-CE1 3.38Å; E159-H182 IonicContact OE1-CE1 3.21Å; E159-H182 IonicContact OE1-ND1 3.57Å; E159-H182 IonicContact OE2-ND1 3.48Å; F175-H182 PolarHBondContact O-CD2 3.31Å; F175-H182 VanDerWaalsContact O-CD2 3.26Å; F175-H182 PolarHBondContact O-NE2 3.1Å; Q178-H182 PolarHBondContact O-CD2 3.05Å; Q178-H182 VanDerWaalsContact O-CD2 3.31Å; P179-H182 WeakPolarHBondContact O-CB 3.48Å; P179-H182 PolarHBondContact O-N 3.43Å; P179-H182 VanDerWaalsContact O-N 3.16Å; H182-F184 VanDerWaalsContact C-N 3.26Å; H182-F184 PolarHBondContact O-N 3.34Å; H182-V185 VanDerWaalsContact O-O 3.09Å |
| 183 | R | 87.4 | Confident | 92.5 | Very high | 113 Ų | 113 | 37.9 Ų | 37.9 | 43% | 0.426 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -68.9 | -19.3 | 177.7 | 72.1 | -179.3 | 82.6 | 161.7 | 7.1 | 114.4 | D28 L181 | D28-R183 IonicContact OD2-CZ 3.59Å; D28-R183 IonicContact OD2-NH1 2.79Å; D28-R183 PolarHBondContact OD2-NH1 2.89Å; D28-R183 IonicContact OD2-NH2 2.74Å; L181-R183 PolarHBondContact O-N 2.89Å |
| 184 | F | 89.4 | Confident | 92.7 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -91.6 | -11.2 | -176.1 | -63.7 | -82.1 | 0 | 0 | 0 | 113.5 | F8 I19 L30 L41 V59 L181 H182 | F8-F184 HydrophobicContact CD1-CD1 4.24Å; F8-F184 AromaticContact CE1-CD1 3.88Å; F8-F184 HydrophobicContact CE1-CD1 3.88Å; I19-F184 HydrophobicContact CG2-CD1 4.06Å; I19-F184 WeakPolarHBondContact O-CE1 3.39Å; L30-F184 HydrophobicContact CB-CD1 3.87Å; L30-F184 HydrophobicContact CB-CD2 3.95Å; L30-F184 HydrophobicContact CB-CE1 3.83Å; L30-F184 HydrophobicContact CB-CE2 3.93Å; L30-F184 HydrophobicContact CB-CG 3.93Å; L30-F184 HydrophobicContact CB-CZ 3.86Å; L30-F184 HydrophobicContact CD2-CB 3.94Å; L30-F184 HydrophobicContact CD2-CD1 4.45Å; L30-F184 HydrophobicContact CD2-CD2 4.34Å; L30-F184 HydrophobicContact CD2-CG 4Å; L41-F184 HydrophobicContact CD2-CE2 3.65Å; L41-F184 HydrophobicContact CD2-CZ 4.11Å; V59-F184 WeakPolarHBondContact CB-O 3.29Å; L181-F184 PolarHBondContact O-N 3.17Å; H182-F184 VanDerWaalsContact C-N 3.26Å; H182-F184 PolarHBondContact O-N 3.34Å |
| 185 | V | 92.5 | Very high | 93 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -127.3 | 153.6 | -174.2 | -71.2 | 0 | 0 | 0 | 0 | 111.1 | V59 L158 L172 F175 H182 | V59-V185 HydrophobicContact CB-CG1 3.9Å; V59-V185 HydrophobicContact CG1-CG1 3.94Å; L158-V185 HydrophobicContact CD2-CG2 3.93Å; L172-V185 HydrophobicContact CD2-CB 3.68Å; L172-V185 HydrophobicContact CD2-CG1 3.73Å; L172-V185 HydrophobicContact CD2-CG2 4.2Å; F175-V185 HydrophobicContact CB-CG1 4.4Å; F175-V185 HydrophobicContact CB-CG2 4Å; F175-V185 HydrophobicContact CD1-CG1 3.51Å; F175-V185 HydrophobicContact CD1-CG2 4.26Å; F175-V185 HydrophobicContact CD2-CG1 4.03Å; F175-V185 HydrophobicContact CE1-CG1 3.65Å; F175-V185 HydrophobicContact CE2-CG1 4.17Å; F175-V185 HydrophobicContact CG-CG1 3.71Å; F175-V185 HydrophobicContact CG-CG2 4.21Å; F175-V185 HydrophobicContact CZ-CG1 3.99Å; H182-V185 VanDerWaalsContact O-O 3.09Å |
| 186 | Y | 91.8 | Very high | 93.2 | Very high | 15 Ų | 15 | 32.7 Ų | 32.7 | 6% | 0.059 | 17% | 0.167 | C | C | . | . | trans | -128.1 | 137.1 | 177.7 | -54.9 | -57.9 | 0 | 0 | 0 | 111.1 | F8 F132 T134 N168 V188 | F8-Y186 AromaticContact CE2-CE2 3.86Å; F8-Y186 HydrophobicContact CE2-CE2 3.86Å; F8-Y186 AromaticContact CE2-CZ 3.98Å; F8-Y186 WeakPolarHBondContact CE2-OH 3.44Å; F8-Y186 HydrophobicContact CZ-CE2 4.35Å; F8-Y186 WeakPolarHBondContact CZ-OH 3.43Å; F132-Y186 AromaticContact CD2-CD2 3.7Å; F132-Y186 HydrophobicContact CD2-CD2 3.7Å; F132-Y186 HydrophobicContact CD2-CE2 4.44Å; F132-Y186 HydrophobicContact CD2-CG 4.05Å; F132-Y186 AromaticContact CE2-CD2 3.81Å; F132-Y186 HydrophobicContact CE2-CD2 3.81Å; F132-Y186 HydrophobicContact CE2-CE2 4.19Å; T134-Y186 HydrophobicContact CG2-CE1 4.14Å; T134-Y186 HydrophobicContact CG2-CE2 4.12Å; N168-Y186 PolarHBondContact ND2-O 3.21Å; Y186-V188 PolarHBondContact O-N 3.24Å | ||
| 187 | P | 96.1 | Very high | 93.4 | Very high | 12 Ų | 12 | 32.8 Ų | 32.8 | 8% | 0.078 | 18% | 0.175 | C | C | . | . | trans | -60.4 | 125.8 | 165.1 | -21.7 | 33.1 | 0 | 0 | 0 | 110.5 | T139 L157 L158 A161 V166 | T139-P187 HydrophobicContact CG2-CB 4.49Å; L157-P187 HydrophobicContact CB-CG 4.24Å; L157-P187 WeakPolarHBondContact O-CG 3.5Å; L158-P187 HydrophobicContact CD1-CG 4.31Å; A161-P187 HydrophobicContact CB-CB 4.18Å; A161-P187 HydrophobicContact CB-CG 4.05Å; V166-P187 HydrophobicContact CG1-CB 4.08Å; V166-P187 HydrophobicContact CG2-CB 4.24Å | ||
| 188 | V | 97.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | trans | -107.2 | 125.8 | 179.4 | -179.1 | 0 | 0 | 0 | 0 | 110 | M60 L130 Y131 F132 W167 N168 Y186 | M60-V188 HydrophobicContact CE-CB 4.15Å; M60-V188 HydrophobicContact CE-CG1 4.07Å; M60-V188 HydrophobicContact CE-CG2 4.16Å; M60-V188 HydrophobicContact SD-CB 4.3Å; M60-V188 HydrophobicContact SD-CG2 3.65Å; L130-V188 HydrophobicContact CB-CG1 3.86Å; L130-V188 HydrophobicContact CD2-CG1 3.9Å; L130-V188 HydrophobicContact CG-CG1 4.42Å; Y131-V188 WeakPolarHBondContact O-CA 3.48Å; F132-V188 HydrophobicContact CB-CG2 4.21Å; W167-V188 PolarHBondContact N-O 3.15Å; N168-V188 HydrophobicContact CB-CB 4.47Å; N168-V188 PolarHBondContact OD1-N 3.12Å; Y186-V188 PolarHBondContact O-N 3.24Å | ||
| 189 | V | 98 | Very high | 93.9 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 137.7 | 175.4 | 174.5 | 0 | 0 | 0 | 0 | 109.7 | L130 Y131 L138 T139 R212 | L130-V189 WeakPolarHBondContact CA-O 3.26Å; Y131-V189 PolarHBondContact N-O 3.31Å; Y131-V189 PolarHBondContact O-N 2.73Å; L138-V189 HydrophobicContact CB-CG2 3.94Å; T139-V189 HydrophobicContact CG2-CG2 3.87Å; V189-R212 HydrophobicContact CG1-CB 4.15Å; V189-R212 HydrophobicContact CG1-CG 3.87Å |
| 190 | H | 97.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.019 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 135.8 | 167.6 | -165.5 | -145.5 | 0 | 0 | 0 | 111.1 | D128 G129 L130 W167 R213 | D128-H190 PolarHBondContact O-NE2 3.26Å; G129-H190 CarbonylContact O-C 3.53Å; G129-H190 WeakPolarHBondContact O-CA 3.47Å; G129-H190 PolarHBondContact O-CD2 3.02Å; G129-H190 VanDerWaalsContact O-CD2 3.25Å; L130-H190 HydrophobicContact CD2-CB 4.13Å; W167-H190 HydrophobicContact CB-CB 4.28Å; W167-H190 VanDerWaalsContact CD1-CB 3.43Å; W167-H190 HydrophobicContact CD2-CB 3.34Å; W167-H190 AromaticContact CD2-CG 3.96Å; W167-H190 AromaticContact CD2-ND1 3.98Å; W167-H190 AromaticContact CE2-CG 3.95Å; W167-H190 AromaticContact CE2-ND1 3.75Å; W167-H190 HydrophobicContact CE3-CB 4.02Å; W167-H190 AromaticContact CE3-ND1 3.94Å; W167-H190 HydrophobicContact CG-CB 3.41Å; W167-H190 VanDerWaalsContact CG-CB 3.41Å; W167-H190 AromaticContact CH2-ND1 3.51Å; W167-H190 HydrophobicContact CZ2-CB 4.07Å; W167-H190 AromaticContact CZ2-ND1 3.53Å; W167-H190 AromaticContact CZ3-ND1 3.71Å; H190-R213 VanDerWaalsContact O-CB 3.3Å; H190-R213 WeakPolarHBondContact O-CB 3.48Å; H190-R213 PolarHBondContact O-N 2.88Å |
| 191 | G | 96.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.4 | -124.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G129 Y131 S211 Q447 | G129-G191 PolarHBondContact O-N 3.27Å; Y131-G191 WeakPolarHBondContact CE2-O 3.29Å; G191-S211 CarbonylContact C-O 3.55Å; G191-S211 VanDerWaalsContact CA-O 3.28Å; G191-S211 WeakPolarHBondContact CA-O 3.47Å; G191-Q447 PolarHBondContact O-NE2 2.9Å |
| 192 | F | 97.4 | Very high | 94.2 | Very high | 21 Ų | 21 | 27.3 Ų | 27.3 | 9% | 0.092 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 131.5 | -177.9 | 178.8 | -102.4 | 0 | 0 | 0 | 111.2 | T194 I209 I210 S211 D439 N440 A443 | F192-T194 HydrophobicContact CD1-CG2 4.47Å; F192-T194 HydrophobicContact CE1-CG2 3.48Å; F192-T194 VanDerWaalsContact CE1-CG2 3.48Å; F192-T194 HydrophobicContact CZ-CG2 3.89Å; F192-I209 HydrophobicContact CD1-CG2 4.49Å; F192-I210 CarbonylContact O-C 3.43Å; F192-I210 WeakPolarHBondContact O-CA 3.28Å; F192-S211 PolarHBondContact N-O 3.49Å; F192-S211 PolarHBondContact O-N 3.16Å; F192-D439 HydrophobicContact CE2-CB 3.88Å; F192-D439 HydrophobicContact CZ-CB 3.69Å; F192-N440 HydrophobicContact CD1-CB 3.62Å; F192-N440 WeakPolarHBondContact CD1-OD1 3.26Å; F192-N440 HydrophobicContact CE1-CB 3.75Å; F192-N440 HydrophobicContact CG-CB 4.29Å; F192-A443 HydrophobicContact CB-CB 3.9Å; F192-A443 HydrophobicContact CD2-CB 3.68Å; F192-A443 HydrophobicContact CG-CB 4.09Å |
| 193 | I | 98.1 | Very high | 94.3 | Very high | 6 Ų | 6 | 30 Ų | 30 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 129.5 | 174.1 | -55.2 | -172.3 | 0 | 0 | 0 | 108.5 | V80 V88 Y131 L138 I195 I209 I210 | V80-I193 HydrophobicContact CG1-CG2 4.22Å; V88-I193 HydrophobicContact CG1-CD1 4.04Å; V88-I193 HydrophobicContact CG1-CG2 4.33Å; Y131-I193 HydrophobicContact CD1-CB 4.08Å; Y131-I193 HydrophobicContact CD1-CD1 4.22Å; Y131-I193 HydrophobicContact CD1-CG1 4.19Å; Y131-I193 HydrophobicContact CD2-CD1 4.21Å; Y131-I193 HydrophobicContact CD2-CG1 3.97Å; Y131-I193 HydrophobicContact CE1-CB 4.06Å; Y131-I193 HydrophobicContact CE1-CG1 4.49Å; Y131-I193 HydrophobicContact CE2-CG1 4.29Å; Y131-I193 HydrophobicContact CG-CB 4.33Å; Y131-I193 HydrophobicContact CG-CD1 3.8Å; Y131-I193 HydrophobicContact CG-CG1 3.92Å; L138-I193 HydrophobicContact CD1-CD1 4.21Å; L138-I193 HydrophobicContact CD2-CD1 4.35Å; I193-I195 HydrophobicContact CG2-CG1 4.28Å; I193-I209 WeakPolarHBondContact CA-O 3.49Å; I193-I210 HydrophobicContact CD1-CG2 4.2Å; I193-I210 HydrophobicContact CG1-CG2 4.07Å; I193-I210 HydrophobicContact CG2-CG1 4.29Å |
| 194 | T | 96.7 | Very high | 94.7 | Very high | 23 Ų | 23 | 28.9 Ų | 28.9 | 14% | 0.141 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 136.7 | 169.8 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | F192 N196 I208 I209 A436 | F192-T194 HydrophobicContact CD1-CG2 4.47Å; F192-T194 HydrophobicContact CE1-CG2 3.48Å; F192-T194 VanDerWaalsContact CE1-CG2 3.48Å; F192-T194 HydrophobicContact CZ-CG2 3.89Å; T194-N196 PolarHBondContact OG1-ND2 3.2Å; T194-I208 WeakPolarHBondContact O-CA 3.41Å; T194-I209 HydrophobicContact CG2-CB 3.92Å; T194-I209 HydrophobicContact CG2-CG1 4.49Å; T194-I209 PolarHBondContact N-O 2.8Å; T194-I209 PolarHBondContact O-N 2.56Å; T194-A436 HydrophobicContact CG2-CB 3.99Å |
| 195 | I | 96.9 | Very high | 95 | Very high | 26 Ų | 26 | 29 Ų | 29 | 13% | 0.133 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 114.9 | -178.2 | -59.2 | 173.5 | 0 | 0 | 0 | 105.5 | V80 L83 V88 I193 I208 | V80-I195 HydrophobicContact CG1-CD1 4.42Å; V80-I195 HydrophobicContact CG1-CG1 4.43Å; L83-I195 HydrophobicContact CB-CD1 4.23Å; V88-I195 HydrophobicContact CB-CD1 4.28Å; V88-I195 HydrophobicContact CG2-CD1 4.23Å; I193-I195 HydrophobicContact CG2-CG1 4.28Å; I195-I208 HydrophobicContact CB-CG1 4.25Å; I195-I208 HydrophobicContact CG1-CG1 4.12Å; I195-I208 HydrophobicContact CG1-CG2 4.14Å; I195-I208 HydrophobicContact CG2-CG1 3.95Å |
| 196 | N | 95.5 | Very high | 95.2 | Very high | 40 Ų | 40 | 31.5 Ų | 31.5 | 21% | 0.214 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 129 | -175.5 | -60.7 | -80.4 | 0 | 0 | 0 | 109.8 | T194 W207 I432 | T194-N196 PolarHBondContact OG1-ND2 3.2Å; N196-W207 HydrophobicContact CB-CE3 4.38Å; N196-W207 PolarHBondContact N-O 2.86Å; N196-W207 PolarHBondContact O-N 3.35Å; N196-I432 HydrophobicContact CB-CG2 3.78Å |
| 197 | S | 94.1 | Very high | 95.5 | Very high | 76 Ų | 76 | 30.8 Ų | 30.8 | 53% | 0.531 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 133.9 | 167.7 | -170.9 | 0 | 0 | 0 | 0 | 109.4 | V204 | S197-V204 WeakPolarHBondContact OG-CG1 3.21Å |
| 198 | S | 93.4 | Very high | 95.6 | Very high | 11 Ų | 11 | 30.2 Ų | 30.2 | 8% | 0.077 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 164.1 | 178.5 | -170.9 | 0 | 0 | 0 | 0 | 110.7 | V204 F205 F429 | S198-V204 CarbonylContact O-C 3.49Å; S198-V204 WeakPolarHBondContact O-CA 3.48Å; S198-F205 PolarHBondContact N-O 2.84Å; S198-F205 WeakPolarHBondContact O-CD1 3.44Å; S198-F205 PolarHBondContact O-N 2.95Å; S198-F205 VanDerWaalsContact O-O 3.13Å; S198-F429 WeakPolarHBondContact OG-CD2 3.5Å |
| 199 | S | 93.5 | Very high | 95.6 | Very high | 62 Ų | 62 | 30.1 Ų | 30.1 | 43% | 0.434 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 132.3 | 175.4 | -173.8 | 0 | 0 | 0 | 0 | 110.5 | K203 | S199-K203 VanDerWaalsContact CA-O 3.31Å; S199-K203 WeakPolarHBondContact CA-O 3.5Å |
| 200 | I | 93.5 | Very high | 95.6 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 133.7 | 171.5 | -70.6 | 168.2 | 0 | 0 | 0 | 107.3 | G202 K203 F205 L411 L416 L417 Q426 F429 | I200-G202 PolarHBondContact O-N 3.06Å; I200-G202 VanDerWaalsContact O-N 3.12Å; I200-K203 PolarHBondContact N-O 3.14Å; I200-K203 WeakPolarHBondContact O-CB 3.34Å; I200-K203 PolarHBondContact O-N 3.17Å; I200-F205 HydrophobicContact CB-CE1 4.04Å; I200-F205 HydrophobicContact CD1-CE1 3.58Å; I200-F205 HydrophobicContact CD1-CZ 3.59Å; I200-F205 HydrophobicContact CG1-CE1 3.69Å; I200-F205 HydrophobicContact CG1-CZ 4.15Å; I200-L411 HydrophobicContact CD1-CD1 4.02Å; I200-L416 WeakPolarHBondContact CG2-O 3.44Å; I200-L417 HydrophobicContact CG2-CD1 4.21Å; I200-Q426 HydrophobicContact CD1-CG 4.25Å; I200-Q426 HydrophobicContact CG1-CB 4.45Å; I200-Q426 HydrophobicContact CG1-CG 4.22Å; I200-Q426 HydrophobicContact CG2-CG 4.28Å; I200-F429 HydrophobicContact CD1-CB 4.3Å; I200-F429 HydrophobicContact CD1-CD1 3.85Å; I200-F429 HydrophobicContact CD1-CE1 4.44Å; I200-F429 HydrophobicContact CD1-CG 4.12Å; I200-F429 HydrophobicContact CG1-CB 4.41Å |
| 201 | N | 91.3 | Very high | 95.6 | Very high | 66 Ų | 66 | 30 Ų | 30 | 35% | 0.353 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 35.4 | -178.1 | -61.2 | -43.1 | 0 | 0 | 0 | 113.3 | K203 L416 Q421 | N201-K203 PolarHBondContact O-N 3.23Å; N201-L416 PolarHBondContact ND2-O 3.13Å; N201-Q421 PolarHBondContact ND2-OE1 3.28Å; N201-Q421 PolarHBondContact OD1-NE2 3.32Å |
| 202 | G | 89.7 | Confident | 95.7 | Very high | 72 Ų | 72 | 30 Ų | 30 | 74% | 0.742 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 3.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | I200 | I200-G202 PolarHBondContact O-N 3.06Å; I200-G202 VanDerWaalsContact O-N 3.12Å |
| 203 | K | 94.3 | Very high | 95.7 | Very high | 72 Ų | 72 | 29.4 Ų | 29.4 | 31% | 0.313 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 119.9 | 179.3 | -62.8 | 174.3 | 175.2 | -169.9 | 0 | 110 | S199 I200 N201 Y245 G415 L416 | S199-K203 VanDerWaalsContact CA-O 3.31Å; S199-K203 WeakPolarHBondContact CA-O 3.5Å; I200-K203 PolarHBondContact N-O 3.14Å; I200-K203 WeakPolarHBondContact O-CB 3.34Å; I200-K203 PolarHBondContact O-N 3.17Å; N201-K203 PolarHBondContact O-N 3.23Å; K203-Y245 HydrophobicContact CB-CE2 3.94Å; K203-Y245 WeakPolarHBondContact CD-OH 3.48Å; K203-Y245 WeakPolarHBondContact CG-OH 3.29Å; K203-G415 PolarHBondContact NZ-O 3.27Å; K203-L416 HydrophobicContact CB-CD2 3.4Å; K203-L416 HydrophobicContact CD-CD2 3.97Å; K203-L416 HydrophobicContact CG-CD2 4.34Å |
| 204 | V | 94.9 | Very high | 95.6 | Very high | 89 Ų | 89 | 29.4 Ų | 29.4 | 54% | 0.539 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 132.1 | 178 | -178 | 0 | 0 | 0 | 0 | 109.7 | S197 S198 Y245 | S197-V204 WeakPolarHBondContact OG-CG1 3.21Å; S198-V204 CarbonylContact O-C 3.49Å; S198-V204 WeakPolarHBondContact O-CA 3.48Å; V204-Y245 WeakPolarHBondContact O-CD2 3.44Å; V204-Y245 WeakPolarHBondContact O-CE2 3.48Å |
| 205 | F | 95.7 | Very high | 95.5 | Very high | 3 Ų | 3 | 29 Ų | 29 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 162 | 176.7 | 68 | -79.7 | 0 | 0 | 0 | 109.9 | S198 I200 W207 V243 Q244 Y245 L411 L416 F429 | S198-F205 PolarHBondContact N-O 2.84Å; S198-F205 WeakPolarHBondContact O-CD1 3.44Å; S198-F205 PolarHBondContact O-N 2.95Å; S198-F205 VanDerWaalsContact O-O 3.13Å; I200-F205 HydrophobicContact CB-CE1 4.04Å; I200-F205 HydrophobicContact CD1-CE1 3.58Å; I200-F205 HydrophobicContact CD1-CZ 3.59Å; I200-F205 HydrophobicContact CG1-CE1 3.69Å; I200-F205 HydrophobicContact CG1-CZ 4.15Å; F205-W207 HydrophobicContact CD2-CB 4.35Å; F205-W207 HydrophobicContact CE2-CB 3.96Å; F205-V243 HydrophobicContact CD2-CG1 4.15Å; F205-Q244 WeakPolarHBondContact CA-O 3.34Å; F205-Q244 WeakPolarHBondContact CB-O 3.47Å; F205-Y245 HydrophobicContact CB-CD2 4.16Å; F205-Y245 HydrophobicContact CB-CG 4.47Å; F205-L411 HydrophobicContact CD2-CD2 4.09Å; F205-L411 HydrophobicContact CE2-CD2 3.86Å; F205-L411 HydrophobicContact CZ-CD2 4.18Å; F205-L416 HydrophobicContact CB-CD1 3.74Å; F205-L416 HydrophobicContact CB-CD2 4.25Å; F205-L416 HydrophobicContact CD1-CD1 4.06Å; F205-L416 HydrophobicContact CD1-CD2 4.15Å; F205-L416 HydrophobicContact CD2-CD1 4.29Å; F205-L416 HydrophobicContact CG-CD1 3.78Å; F205-L416 HydrophobicContact CG-CD2 4.47Å; F205-F429 AromaticContact CE2-CE2 3.89Å; F205-F429 HydrophobicContact CE2-CE2 3.89Å; F205-F429 AromaticContact CE2-CZ 3.94Å; F205-F429 HydrophobicContact CE2-CZ 3.94Å; F205-F429 HydrophobicContact CZ-CD1 4.43Å; F205-F429 AromaticContact CZ-CD2 3.92Å; F205-F429 HydrophobicContact CZ-CD2 3.92Å; F205-F429 HydrophobicContact CZ-CE1 4.27Å; F205-F429 AromaticContact CZ-CE2 3.73Å; F205-F429 HydrophobicContact CZ-CE2 3.73Å; F205-F429 HydrophobicContact CZ-CG 4.26Å; F205-F429 AromaticContact CZ-CZ 3.91Å; F205-F429 HydrophobicContact CZ-CZ 3.91Å |
| 206 | E | 96.3 | Very high | 95.4 | Very high | 56 Ų | 56 | 31 Ų | 31 | 26% | 0.262 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 136.2 | 174.2 | -62.6 | -175.3 | 135.5 | 0 | 0 | 109.9 | I208 V243 Q244 | E206-I208 HydrophobicContact CB-CD1 4.49Å; E206-V243 WeakPolarHBondContact O-CA 3.47Å; E206-Q244 HydrophobicContact CB-CB 4.34Å; E206-Q244 PolarHBondContact N-O 3.17Å; E206-Q244 PolarHBondContact O-N 3.11Å |
| 207 | W | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 123.8 | 177.6 | 178.3 | 63.3 | 0 | 0 | 0 | 110 | N196 F205 I209 F429 I432 Y433 A436 W437 | N196-W207 HydrophobicContact CB-CE3 4.38Å; N196-W207 PolarHBondContact N-O 2.86Å; N196-W207 PolarHBondContact O-N 3.35Å; F205-W207 HydrophobicContact CD2-CB 4.35Å; F205-W207 HydrophobicContact CE2-CB 3.96Å; W207-I209 HydrophobicContact CH2-CD1 3.46Å; W207-I209 VanDerWaalsContact CH2-CD1 3.46Å; W207-I209 HydrophobicContact CH2-CG1 4.04Å; W207-I209 HydrophobicContact CZ2-CD1 3.51Å; W207-I209 HydrophobicContact CZ2-CG1 3.77Å; W207-I209 HydrophobicContact CZ3-CD1 4.37Å; W207-F429 HydrophobicContact CB-CE2 4.01Å; W207-F429 HydrophobicContact CB-CZ 4.24Å; W207-F429 AromaticContact CD2-CE2 3.97Å; W207-F429 HydrophobicContact CD2-CE2 3.97Å; W207-F429 AromaticContact CD2-CZ 3.91Å; W207-F429 HydrophobicContact CD2-CZ 3.91Å; W207-F429 AromaticContact CE3-CE2 3.94Å; W207-F429 HydrophobicContact CE3-CE2 3.94Å; W207-F429 HydrophobicContact CE3-CZ 4.25Å; W207-F429 HydrophobicContact CG-CE2 4.01Å; W207-F429 AromaticContact CG-CZ 3.89Å; W207-F429 HydrophobicContact CG-CZ 3.89Å; W207-I432 HydrophobicContact CE3-CG2 4.16Å; W207-I432 HydrophobicContact CZ3-CG2 4.11Å; W207-Y433 AromaticContact CE2-CD2 3.96Å; W207-Y433 AromaticContact CH2-CD2 3.49Å; W207-Y433 HydrophobicContact CH2-CD2 3.49Å; W207-Y433 VanDerWaalsContact CH2-CD2 3.49Å; W207-Y433 HydrophobicContact CH2-CE2 4Å; W207-Y433 HydrophobicContact CH2-CG 4.03Å; W207-Y433 AromaticContact CZ2-CD2 3.27Å; W207-Y433 HydrophobicContact CZ2-CD2 3.27Å; W207-Y433 AromaticContact CZ2-CE2 3.4Å; W207-Y433 HydrophobicContact CZ2-CE2 3.4Å; W207-Y433 VanDerWaalsContact CZ2-CE2 3.4Å; W207-Y433 HydrophobicContact CZ2-CG 4.23Å; W207-Y433 HydrophobicContact CZ3-CD2 4.31Å; W207-A436 HydrophobicContact CH2-CB 3.69Å; W207-A436 HydrophobicContact CZ3-CB 3.52Å; W207-W437 AromaticContact CZ2-NE1 3.93Å |
| 208 | I | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 140 | -166.7 | -61.2 | 146.3 | 0 | 0 | 0 | 108.9 | L83 T194 I195 E206 I210 Q241 I242 | L83-I208 HydrophobicContact CD1-CD1 3.72Å; L83-I208 HydrophobicContact CD1-CG2 4.17Å; T194-I208 WeakPolarHBondContact O-CA 3.41Å; I195-I208 HydrophobicContact CB-CG1 4.25Å; I195-I208 HydrophobicContact CG1-CG1 4.12Å; I195-I208 HydrophobicContact CG1-CG2 4.14Å; I195-I208 HydrophobicContact CG2-CG1 3.95Å; E206-I208 HydrophobicContact CB-CD1 4.49Å; I208-I210 HydrophobicContact CG2-CD1 4.25Å; I208-I210 HydrophobicContact CG2-CG1 3.87Å; I208-Q241 WeakPolarHBondContact O-CA 3.47Å; I208-I242 HydrophobicContact CB-CB 4.15Å; I208-I242 HydrophobicContact CD1-CB 4.44Å; I208-I242 HydrophobicContact CD1-CG2 4.39Å; I208-I242 PolarHBondContact N-O 3.02Å; I208-I242 PolarHBondContact O-N 3.37Å |
| 209 | I | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 130 | 167.3 | -62.8 | 175.9 | 0 | 0 | 0 | 108.3 | F192 I193 T194 W207 T239 E240 A436 W437 | F192-I209 HydrophobicContact CD1-CG2 4.49Å; I193-I209 WeakPolarHBondContact CA-O 3.49Å; T194-I209 HydrophobicContact CG2-CB 3.92Å; T194-I209 HydrophobicContact CG2-CG1 4.49Å; T194-I209 PolarHBondContact N-O 2.8Å; T194-I209 PolarHBondContact O-N 2.56Å; W207-I209 HydrophobicContact CH2-CD1 3.46Å; W207-I209 VanDerWaalsContact CH2-CD1 3.46Å; W207-I209 HydrophobicContact CH2-CG1 4.04Å; W207-I209 HydrophobicContact CZ2-CD1 3.51Å; W207-I209 HydrophobicContact CZ2-CG1 3.77Å; W207-I209 HydrophobicContact CZ3-CD1 4.37Å; I209-T239 HydrophobicContact CG2-CG2 4.16Å; I209-E240 WeakPolarHBondContact CA-O 3.41Å; I209-A436 HydrophobicContact CD1-CB 4.13Å; I209-W437 HydrophobicContact CD1-CD2 4.09Å; I209-W437 HydrophobicContact CD1-CG 4.15Å; I209-W437 HydrophobicContact CD1-CZ2 4.22Å |
| 210 | I | 98.4 | Very high | 94.8 | Very high | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.015 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 115.1 | 172.7 | -54 | 176.5 | 0 | 0 | 0 | 108.1 | L83 F192 I193 I208 R212 T239 E240 I242 | L83-I210 HydrophobicContact CD1-CD1 4.38Å; L83-I210 HydrophobicContact CD2-CD1 3.79Å; F192-I210 CarbonylContact O-C 3.43Å; F192-I210 WeakPolarHBondContact O-CA 3.28Å; I193-I210 HydrophobicContact CD1-CG2 4.2Å; I193-I210 HydrophobicContact CG1-CG2 4.07Å; I193-I210 HydrophobicContact CG2-CG1 4.29Å; I208-I210 HydrophobicContact CG2-CD1 4.25Å; I208-I210 HydrophobicContact CG2-CG1 3.87Å; I210-R212 HydrophobicContact CG2-CG 3.94Å; I210-T239 CarbonylContact O-C 3.05Å; I210-T239 WeakPolarHBondContact O-CA 3.4Å; I210-E240 PolarHBondContact N-O 3.15Å; I210-E240 PolarHBondContact O-N 2.95Å; I210-I242 HydrophobicContact CD1-CD1 4.02Å |
| 211 | S | 98.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 115.6 | 167.1 | -70.6 | 0 | 0 | 0 | 0 | 108.9 | G191 F192 E238 T239 R256 N440 | G191-S211 CarbonylContact C-O 3.55Å; G191-S211 VanDerWaalsContact CA-O 3.28Å; G191-S211 WeakPolarHBondContact CA-O 3.47Å; F192-S211 PolarHBondContact N-O 3.49Å; F192-S211 PolarHBondContact O-N 3.16Å; S211-E238 CarbonylContact C-O 3.57Å; S211-E238 WeakPolarHBondContact CA-O 3.43Å; S211-T239 PolarHBondContact OG-OG1 3.2Å; S211-R256 PolarHBondContact OG-NH2 2.95Å; S211-N440 WeakPolarHBondContact CB-OD1 3.36Å; S211-N440 PolarHBondContact OG-OD1 2.85Å |
| 212 | R | 97.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 0% | 0.004 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 119.7 | 176.1 | -62 | 167.2 | -89.1 | -87.5 | -1.5 | 109.5 | L138 T139 F165 V189 I210 V237 E238 E240 | L138-R212 VanDerWaalsContact O-CD 3.29Å; L138-R212 WeakPolarHBondContact O-CD 3.47Å; T139-R212 WeakPolarHBondContact O-CD 3.22Å; F165-R212 HydrophobicContact CB-CB 4.37Å; F165-R212 HydrophobicContact CD1-CB 3.44Å; F165-R212 VanDerWaalsContact CD1-CB 3.44Å; F165-R212 HydrophobicContact CD2-CB 4.44Å; F165-R212 HydrophobicContact CE1-CB 3.7Å; F165-R212 WeakPolarHBondContact CE1-O 3.29Å; F165-R212 HydrophobicContact CG-CB 3.83Å; F165-R212 HydrophobicContact CG-CG 4.5Å; F165-R212 HydrophobicContact CZ-CB 4.31Å; V189-R212 HydrophobicContact CG1-CB 4.15Å; V189-R212 HydrophobicContact CG1-CG 3.87Å; I210-R212 HydrophobicContact CG2-CG 3.94Å; R212-V237 CarbonylContact O-C 3.39Å; R212-V237 VanDerWaalsContact O-CA 3.28Å; R212-V237 WeakPolarHBondContact O-CA 3.38Å; R212-V237 WeakPolarHBondContact O-CG1 3.47Å; R212-E238 IonicContact CZ-OE1 3.72Å; R212-E238 PolarHBondContact N-O 2.95Å; R212-E238 IonicContact NE-OE1 2.78Å; R212-E238 PolarHBondContact NE-OE1 3.44Å; R212-E238 IonicContact NH2-OE1 2.68Å; R212-E238 PolarHBondContact NH2-OE1 2.86Å; R212-E238 PolarHBondContact O-N 3.37Å; R212-E240 IonicContact CZ-OE2 3.38Å; R212-E240 VanDerWaalsContact CZ-OE2 3.29Å; R212-E240 IonicContact NH1-OE2 3.41Å; R212-E240 PolarHBondContact NH1-OE2 2.89Å; R212-E240 IonicContact NH2-OE2 3.35Å; R212-E240 PolarHBondContact NH2-OE2 3.25Å |
| 213 | R | 96.8 | Very high | 94 | Very high | 8 Ų | 8 | 19.5 Ų | 19.5 | 3% | 0.03 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 131.6 | 175.7 | -174 | -179 | 174.5 | -157.7 | 4.6 | 109.6 | W167 H190 N235 V237 Q447 | W167-R213 VanDerWaalsContact CH2-NH1 3.32Å; W167-R213 HydrophobicContact CZ2-CB 4.43Å; W167-R213 HydrophobicContact CZ2-CG 3.95Å; W167-R213 PolarHBondContact NE1-O 2.98Å; H190-R213 VanDerWaalsContact O-CB 3.3Å; H190-R213 WeakPolarHBondContact O-CB 3.48Å; H190-R213 PolarHBondContact O-N 2.88Å; R213-N235 PolarHBondContact NH2-OD1 3.15Å; R213-V237 HydrophobicContact CB-CG2 4.26Å; R213-V237 HydrophobicContact CG-CG2 4.14Å; R213-Q447 PolarHBondContact NH1-O 3.42Å |
| 214 | S | 96.9 | Very high | 93.8 | Very high | 5 Ų | 5 | 16.3 Ų | 16.3 | 4% | 0.035 | 8% | 0.08 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 136.7 | 174.9 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | R164 F216 F236 | R164-S214 CarbonylContact O-C 3.54Å; R164-S214 WeakPolarHBondContact O-CA 3.4Å; S214-F216 PolarHBondContact OG-N 2.88Å; S214-F216 VanDerWaalsContact OG-N 3.1Å; S214-F216 PolarHBondContact OG-O 3.2Å; S214-F236 WeakPolarHBondContact CB-O 3.45Å; S214-F236 PolarHBondContact N-O 3.48Å |
| 215 | C | 95.1 | Very high | 93.7 | Very high | 15 Ų | 15 | 12.3 Ų | 12.3 | 10% | 0.101 | 6% | 0.055 | C | C | . | . | S | Bend | trans | -78.3 | -25.3 | 167.2 | 63.5 | 0 | 0 | 0 | 0 | 111.4 | Q163 R164 W167 R217 A218 L498 | Q163-C215 PolarHBondContact O-SG 3.27Å; R164-C215 PolarHBondContact O-N 3.02Å; R164-C215 PolarHBondContact O-SG 2.97Å; W167-C215 HydrophobicContact CG-CB 4.42Å; C215-R217 PolarHBondContact O-N 2.87Å; C215-A218 WeakPolarHBondContact O-CB 3.43Å; C215-A218 PolarHBondContact O-N 2.7Å; C215-L498 HydrophobicContact CB-CD1 4.27Å; C215-L498 HydrophobicContact CB-CD2 3.83Å; C215-L498 WeakPolarHBondContact O-CD1 3.48Å |
| 216 | F | 94.1 | Very high | 93.5 | Very high | 67 Ų | 67 | 12.2 Ų | 12.2 | 29% | 0.294 | 6% | 0.055 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 130.6 | 174.8 | -58 | -16.3 | 0 | 0 | 0 | 110.9 | Q163 R164 S214 A218 H232 | Q163-F216 HydrophobicContact CB-CZ 4.3Å; R164-F216 HydrophobicContact CB-CD2 4.41Å; R164-F216 HydrophobicContact CB-CE2 4.31Å; R164-F216 HydrophobicContact CG-CD2 3.77Å; R164-F216 HydrophobicContact CG-CE2 3.47Å; R164-F216 VanDerWaalsContact CG-CE2 3.47Å; R164-F216 HydrophobicContact CG-CZ 4.22Å; S214-F216 PolarHBondContact OG-N 2.88Å; S214-F216 VanDerWaalsContact OG-N 3.1Å; S214-F216 PolarHBondContact OG-O 3.2Å; F216-A218 PolarHBondContact O-N 2.89Å; F216-A218 VanDerWaalsContact O-N 3.11Å; F216-H232 HydrophobicContact CB-CB 3.98Å; F216-H232 AromaticContact CD2-CD2 3.47Å; F216-H232 VanDerWaalsContact CD2-CD2 3.47Å; F216-H232 WeakPolarHBondContact CD2-CD2 3.37Å; F216-H232 AromaticContact CD2-CE1 3.89Å; F216-H232 AromaticContact CD2-CG 3.98Å; F216-H232 AromaticContact CD2-NE2 3.4Å; F216-H232 WeakPolarHBondContact CD2-NE2 3.36Å; F216-H232 AromaticContact CE2-NE2 3.79Å |
| 217 | R | 91.9 | Very high | 93.4 | Very high | 30 Ų | 30 | 9.5 Ų | 9.5 | 11% | 0.113 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.5 | 39.4 | -175.6 | -159 | 174.2 | -177.4 | 78.6 | -5.8 | 112.8 | C215 V224 R225 I227 H232 A234 N235 K584 L585 | C215-R217 PolarHBondContact O-N 2.87Å; R217-V224 HydrophobicContact CG-CG1 3.56Å; R217-V224 WeakPolarHBondContact O-CG1 3.15Å; R217-R225 PolarHBondContact NE-O 2.89Å; R217-R225 PolarHBondContact NH2-O 3.31Å; R217-R225 VanDerWaalsContact NH2-O 3.09Å; R217-I227 VanDerWaalsContact CZ-O 3.29Å; R217-I227 VanDerWaalsContact NE-C 3.32Å; R217-I227 PolarHBondContact NE-O 2.8Å; R217-I227 PolarHBondContact NH2-O 2.95Å; R217-H232 HydrophobicContact CB-CB 4.37Å; R217-H232 VanDerWaalsContact CD-O 3.24Å; R217-H232 WeakPolarHBondContact CD-O 3.42Å; R217-A234 HydrophobicContact CG-CB 4.01Å; R217-A234 WeakPolarHBondContact O-CA 3.41Å; R217-N235 PolarHBondContact O-N 2.85Å; R217-K584 PolarHBondContact NH1-O 3.43Å; R217-L585 PolarHBondContact NH2-O 3.21Å |
| 218 | A | 92.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 10.9 Ų | 10.9 | 2% | 0.017 | 5% | 0.049 | C | C | . | . | trans | -72.6 | 139.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | W167 C215 F216 I494 L498 | W167-A218 HydrophobicContact CH2-CB 3.95Å; W167-A218 HydrophobicContact CZ2-CB 4.02Å; C215-A218 WeakPolarHBondContact O-CB 3.43Å; C215-A218 PolarHBondContact O-N 2.7Å; F216-A218 PolarHBondContact O-N 2.89Å; F216-A218 VanDerWaalsContact O-N 3.11Å; A218-I494 HydrophobicContact CB-CG2 4.24Å; A218-L498 HydrophobicContact CB-CD1 3.73Å | ||
| 219 | G | 90 | Very high | 92.6 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.072 | C | C | . | . | trans | -179.8 | 178.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.7 | N235 Y448 | G219-N235 PolarHBondContact N-OD1 2.88Å; G219-N235 PolarHBondContact O-ND2 3.23Å; G219-N235 PolarHBondContact O-OD1 2.89Å; G219-Y448 VanDerWaalsContact O-CD2 3.3Å; G219-Y448 WeakPolarHBondContact O-CD2 3.45Å; G219-Y448 WeakPolarHBondContact O-CE2 3.27Å | ||
| 220 | V | 90.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -82.4 | 162.7 | -175.8 | -57.4 | 0 | 0 | 0 | 0 | 112.5 | Y222 Y223 V224 D487 R490 Q491 I494 | V220-Y222 PolarHBondContact O-N 3.44Å; V220-Y222 VanDerWaalsContact O-N 3.14Å; V220-Y223 HydrophobicContact CG2-CD2 3.57Å; V220-Y223 HydrophobicContact CG2-CG 4.11Å; V220-Y223 PolarHBondContact O-N 3.1Å; V220-V224 PolarHBondContact O-N 3.26Å; V220-D487 HydrophobicContact CB-CB 4.22Å; V220-D487 HydrophobicContact CG2-CB 3.85Å; V220-R490 HydrophobicContact CG1-CB 3.95Å; V220-Q491 HydrophobicContact CG2-CB 4Å; V220-I494 HydrophobicContact CG1-CD1 4.26Å | ||
| 221 | R | 84.2 | Confident | 92 | Very high | 35 Ų | 35 | 19.6 Ų | 19.6 | 13% | 0.132 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -43.8 | -162.7 | -175.9 | -179.6 | 179.7 | -156.2 | 9.8 | 116.5 | R225 D390 Y448 | R221-R225 PolarHBondContact O-NE 2.82Å; R221-R225 PolarHBondContact O-NH2 2.76Å; R221-D390 IonicContact CZ-OD1 3.92Å; R221-D390 IonicContact CZ-OD2 2.65Å; R221-D390 IonicContact NE-OD1 3.72Å; R221-D390 PolarHBondContact NE-OD1 3.3Å; R221-D390 IonicContact NE-OD2 3.1Å; R221-D390 PolarHBondContact NE-OD2 2.94Å; R221-D390 IonicContact NH2-OD1 3.56Å; R221-D390 IonicContact NH2-OD2 2.72Å; R221-D390 PolarHBondContact NH2-OD2 3.47Å; R221-Y448 VanDerWaalsContact CA-CZ 3.45Å; R221-Y448 WeakPolarHBondContact CA-OH 3.37Å; R221-Y448 HydrophobicContact CB-CE1 4.1Å; R221-Y448 HydrophobicContact CB-CE2 4.29Å; R221-Y448 HydrophobicContact CG-CE1 3.94Å; R221-Y448 PolarHBondContact O-OH 2.88Å |
| 222 | Y | 86.5 | Confident | 91.9 | Very high | 10 Ų | 10 | 22.4 Ų | 22.4 | 4% | 0.039 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -9.3 | -174.7 | -70.2 | -44.2 | 0 | 0 | 0 | 114 | V220 Q265 P267 P273 N483 | V220-Y222 PolarHBondContact O-N 3.44Å; V220-Y222 VanDerWaalsContact O-N 3.14Å; Y222-Q265 WeakPolarHBondContact CB-O 3.27Å; Y222-Q265 HydrophobicContact CD1-CB 4.37Å; Y222-Q265 HydrophobicContact CD1-CG 4Å; Y222-Q265 WeakPolarHBondContact CD1-O 3.44Å; Y222-Q265 HydrophobicContact CE1-CG 4.22Å; Y222-Q265 CarbonylContact O-C 3.52Å; Y222-Q265 VanDerWaalsContact O-O 3.05Å; Y222-P267 HydrophobicContact CD2-CB 4.2Å; Y222-P273 HydrophobicContact CD1-CG 4.5Å; Y222-P273 HydrophobicContact CE1-CG 4.25Å; Y222-P273 HydrophobicContact CE2-CG 4.28Å; Y222-N483 HydrophobicContact CD2-CB 3.71Å; Y222-N483 HydrophobicContact CE2-CB 3.76Å; Y222-N483 VanDerWaalsContact CE2-ND2 3.28Å; Y222-N483 WeakPolarHBondContact CE2-ND2 3.48Å |
| 223 | Y | 87.8 | Confident | 91.7 | Very high | 13 Ų | 13 | 22.5 Ų | 22.5 | 5% | 0.051 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -28.4 | -178.9 | -74.9 | -75.9 | 0 | 0 | 0 | 113.7 | V220 R266 P267 D487 V574 D575 A576 P577 | V220-Y223 HydrophobicContact CG2-CD2 3.57Å; V220-Y223 HydrophobicContact CG2-CG 4.11Å; V220-Y223 PolarHBondContact O-N 3.1Å; Y223-R266 VanDerWaalsContact CD1-NH1 3.29Å; Y223-R266 PolarHBondContact O-NH1 3.47Å; Y223-P267 HydrophobicContact CE1-CG 4.32Å; Y223-P267 HydrophobicContact CE2-CG 3.89Å; Y223-P267 WeakPolarHBondContact OH-CG 3.43Å; Y223-D487 HydrophobicContact CD2-CB 4.27Å; Y223-D487 HydrophobicContact CE2-CB 4.2Å; Y223-V574 WeakPolarHBondContact OH-CG1 3.28Å; Y223-D575 PolarHBondContact OH-O 2.8Å; Y223-A576 HydrophobicContact CE1-CB 4.29Å; Y223-A576 VanDerWaalsContact OH-CA 3.25Å; Y223-A576 WeakPolarHBondContact OH-CA 3.38Å; Y223-P577 HydrophobicContact CD1-CG 3.65Å; Y223-P577 HydrophobicContact CE1-CG 4.01Å; Y223-P577 HydrophobicContact CG-CG 4.19Å |
| 224 | V | 89.2 | Confident | 91.6 | Very high | 5 Ų | 5 | 22.1 Ų | 22.1 | 3% | 0.03 | 11% | 0.11 | C | C | . | . | trans | -126.7 | 109.9 | -176.8 | -173.3 | 0 | 0 | 0 | 0 | 110.1 | R217 V220 A234 L585 | R217-V224 HydrophobicContact CG-CG1 3.56Å; R217-V224 WeakPolarHBondContact O-CG1 3.15Å; V220-V224 PolarHBondContact O-N 3.26Å; V224-A234 HydrophobicContact CG1-CB 3.75Å; V224-L585 HydrophobicContact CG2-CD2 4.19Å | ||
| 225 | R | 91.8 | Very high | 91.3 | Very high | 5 Ų | 5 | 22.6 Ų | 22.6 | 2% | 0.019 | 11% | 0.113 | C | C | . | . | trans | -138.7 | 170.6 | -178.2 | -63.7 | -65.1 | -158.3 | 178.7 | 1 | 109.4 | R217 R221 W263 Q265 M389 D390 Y448 | R217-R225 PolarHBondContact NE-O 2.89Å; R217-R225 PolarHBondContact NH2-O 3.31Å; R217-R225 VanDerWaalsContact NH2-O 3.09Å; R221-R225 PolarHBondContact O-NE 2.82Å; R221-R225 PolarHBondContact O-NH2 2.76Å; R225-W263 CarbonylContact C-O 3.57Å; R225-W263 HydrophobicContact CB-CD2 4.03Å; R225-W263 HydrophobicContact CB-CE3 4.04Å; R225-W263 HydrophobicContact CB-CH2 4.04Å; R225-W263 HydrophobicContact CB-CZ2 3.99Å; R225-W263 HydrophobicContact CB-CZ3 4.03Å; R225-W263 VanDerWaalsContact CB-O 3.27Å; R225-W263 WeakPolarHBondContact CB-O 3.36Å; R225-W263 VanDerWaalsContact CD-CH2 3.4Å; R225-W263 HydrophobicContact CG-CE3 4.27Å; R225-W263 HydrophobicContact CG-CH2 3.84Å; R225-W263 HydrophobicContact CG-CZ2 4.27Å; R225-W263 HydrophobicContact CG-CZ3 3.81Å; R225-Q265 HydrophobicContact CG-CB 4.49Å; R225-M389 PolarHBondContact NH1-O 2.8Å; R225-D390 IonicContact CZ-OD1 3.13Å; R225-D390 IonicContact NH1-OD1 2.84Å; R225-D390 PolarHBondContact NH1-OD1 2.94Å; R225-D390 IonicContact NH2-OD1 3.84Å; R225-D390 PolarHBondContact NH2-OD1 3.35Å; R225-Y448 VanDerWaalsContact CZ-OH 3.28Å; R225-Y448 PolarHBondContact NH1-OH 3.09Å | ||
| 226 | G | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 65 | -149.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A234 S258 I259 F261 | G226-A234 WeakPolarHBondContact O-CB 3.41Å; G226-A234 PolarHBondContact O-N 3.3Å; G226-S258 PolarHBondContact N-OG 3.37Å; G226-I259 WeakPolarHBondContact CA-O 3.49Å; G226-F261 WeakPolarHBondContact CA-O 3.48Å |
| 227 | I | 93.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | B | Isolated β-bridge | trans | -115.3 | 163 | 174 | 50.3 | 169.9 | 0 | 0 | 0 | 110.5 | R217 H232 A233 P260 F261 Y262 G286 | R217-I227 VanDerWaalsContact CZ-O 3.29Å; R217-I227 VanDerWaalsContact NE-C 3.32Å; R217-I227 PolarHBondContact NE-O 2.8Å; R217-I227 PolarHBondContact NH2-O 2.95Å; I227-H232 VanDerWaalsContact CA-O 3.26Å; I227-H232 WeakPolarHBondContact CA-O 3.45Å; I227-A233 HydrophobicContact CG2-CB 4.03Å; I227-P260 VanDerWaalsContact CG2-CA 3.47Å; I227-P260 HydrophobicContact CG2-CB 3.71Å; I227-F261 PolarHBondContact N-O 3.22Å; I227-Y262 HydrophobicContact CD1-CE1 4.45Å; I227-Y262 HydrophobicContact CD1-CE2 4.05Å; I227-Y262 HydrophobicContact CG1-CD1 4.31Å; I227-Y262 HydrophobicContact CG1-CE1 4.05Å; I227-Y262 HydrophobicContact CG1-CE2 4.38Å; I227-Y262 WeakPolarHBondContact O-CE1 3.33Å; I227-G286 WeakPolarHBondContact CD1-O 3.34Å |
| 228 | D | 91.3 | Very high | 91.8 | Very high | 28 Ų | 28 | 18.3 Ų | 18.3 | 15% | 0.15 | 9% | 0.094 | C | C | . | . | trans | -90.4 | -172.9 | 165.8 | 61.6 | 10.6 | 0 | 0 | 0 | 111.5 | E230 G231 H232 Y262 | D228-E230 VanDerWaalsContact C-N 3.26Å; D228-E230 PolarHBondContact O-N 3.29Å; D228-E230 PolarHBondContact OD1-N 3.37Å; D228-E230 VanDerWaalsContact OD1-N 3.08Å; D228-G231 PolarHBondContact O-N 3.27Å; D228-G231 PolarHBondContact OD1-N 3.11Å; D228-H232 PolarHBondContact N-O 2.95Å; D228-H232 WeakPolarHBondContact OD1-CB 3.35Å; D228-H232 IonicContact OD1-CG 4Å; D228-H232 PolarHBondContact OD1-N 2.83Å; D228-H232 IonicContact OD1-ND1 2.73Å; D228-H232 PolarHBondContact OD1-ND1 2.98Å; D228-H232 WeakPolarHBondContact OD2-CB 3.18Å; D228-H232 IonicContact OD2-CG 3.98Å; D228-H232 IonicContact OD2-ND1 3.54Å; D228-H232 PolarHBondContact OD2-ND1 3.43Å; D228-Y262 WeakPolarHBondContact O-CE1 3.21Å; D228-Y262 PolarHBondContact O-OH 2.94Å | ||
| 229 | S | 88.9 | Confident | 92.1 | Very high | 67 Ų | 67 | 18.4 Ų | 18.4 | 47% | 0.469 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -35.6 | 174.7 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | G231 R289 | S229-G231 PolarHBondContact O-N 3.44Å; S229-R289 PolarHBondContact O-NH1 2.78Å |
| 230 | E | 91.2 | Very high | 92.5 | Very high | 117 Ų | 117 | 18.5 Ų | 18.5 | 55% | 0.547 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -5.2 | -176.7 | -56.2 | -46.6 | 109.3 | 0 | 0 | 113.1 | D228 H232 | D228-E230 VanDerWaalsContact C-N 3.26Å; D228-E230 PolarHBondContact O-N 3.29Å; D228-E230 PolarHBondContact OD1-N 3.37Å; D228-E230 VanDerWaalsContact OD1-N 3.08Å; E230-H232 WeakPolarHBondContact CB-CE1 3.35Å |
| 231 | G | 92.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | trans | 86.2 | 13.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D228 S229 A233 H290 | D228-G231 PolarHBondContact O-N 3.27Å; D228-G231 PolarHBondContact OD1-N 3.11Å; S229-G231 PolarHBondContact O-N 3.44Å; G231-A233 PolarHBondContact O-N 3.28Å; G231-H290 VanDerWaalsContact O-CB 3.29Å; G231-H290 WeakPolarHBondContact O-CB 3.4Å; G231-H290 PolarHBondContact O-ND1 3.44Å | ||
| 232 | H | 94.9 | Very high | 93.6 | Very high | 60 Ų | 60 | 17 Ų | 17 | 28% | 0.278 | 9% | 0.089 | S | C | . | . | P | Polyproline II helix | trans | -74.5 | 116.9 | 172.6 | -50.8 | 119.3 | 0 | 0 | 0 | 110.1 | F216 R217 I227 D228 E230 | F216-H232 HydrophobicContact CB-CB 3.98Å; F216-H232 AromaticContact CD2-CD2 3.47Å; F216-H232 VanDerWaalsContact CD2-CD2 3.47Å; F216-H232 WeakPolarHBondContact CD2-CD2 3.37Å; F216-H232 AromaticContact CD2-CE1 3.89Å; F216-H232 AromaticContact CD2-CG 3.98Å; F216-H232 AromaticContact CD2-NE2 3.4Å; F216-H232 WeakPolarHBondContact CD2-NE2 3.36Å; F216-H232 AromaticContact CE2-NE2 3.79Å; R217-H232 HydrophobicContact CB-CB 4.37Å; R217-H232 VanDerWaalsContact CD-O 3.24Å; R217-H232 WeakPolarHBondContact CD-O 3.42Å; I227-H232 VanDerWaalsContact CA-O 3.26Å; I227-H232 WeakPolarHBondContact CA-O 3.45Å; D228-H232 PolarHBondContact N-O 2.95Å; D228-H232 WeakPolarHBondContact OD1-CB 3.35Å; D228-H232 IonicContact OD1-CG 4Å; D228-H232 PolarHBondContact OD1-N 2.83Å; D228-H232 IonicContact OD1-ND1 2.73Å; D228-H232 PolarHBondContact OD1-ND1 2.98Å; D228-H232 WeakPolarHBondContact OD2-CB 3.18Å; D228-H232 IonicContact OD2-CG 3.98Å; D228-H232 IonicContact OD2-ND1 3.54Å; D228-H232 PolarHBondContact OD2-ND1 3.43Å; E230-H232 WeakPolarHBondContact CB-CE1 3.35Å |
| 233 | A | 94.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 16.5 Ų | 16.5 | 3% | 0.025 | 9% | 0.087 | C | C | . | . | B | Isolated β-bridge | trans | -73.4 | 134.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I227 G231 N235 F236 | I227-A233 HydrophobicContact CG2-CB 4.03Å; G231-A233 PolarHBondContact O-N 3.28Å; A233-N235 PolarHBondContact O-N 2.58Å; A233-F236 PolarHBondContact O-N 3.48Å |
| 234 | A | 93 | Very high | 94.5 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 136.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | R217 V224 G226 F236 S258 | R217-A234 HydrophobicContact CG-CB 4.01Å; R217-A234 WeakPolarHBondContact O-CA 3.41Å; V224-A234 HydrophobicContact CG1-CB 3.75Å; G226-A234 WeakPolarHBondContact O-CB 3.41Å; G226-A234 PolarHBondContact O-N 3.3Å; A234-F236 VanDerWaalsContact C-N 3.26Å; A234-F236 PolarHBondContact O-N 3.15Å; A234-S258 VanDerWaalsContact O-CB 3.3Å; A234-S258 WeakPolarHBondContact O-CB 3.42Å; A234-S258 PolarHBondContact O-N 3.05Å |
| 235 | N | 91.7 | Very high | 94.8 | Very high | 15 Ų | 15 | 18.9 Ų | 18.9 | 8% | 0.08 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 44.1 | 177.1 | -62.9 | -68 | 0 | 0 | 0 | 113.7 | R213 R217 G219 A233 Y448 | R213-N235 PolarHBondContact NH2-OD1 3.15Å; R217-N235 PolarHBondContact O-N 2.85Å; G219-N235 PolarHBondContact N-OD1 2.88Å; G219-N235 PolarHBondContact O-ND2 3.23Å; G219-N235 PolarHBondContact O-OD1 2.89Å; A233-N235 PolarHBondContact O-N 2.58Å; N235-Y448 HydrophobicContact CB-CD2 4.21Å; N235-Y448 HydrophobicContact CB-CE2 4.22Å; N235-Y448 WeakPolarHBondContact ND2-CD2 3.35Å; N235-Y448 WeakPolarHBondContact ND2-CE2 3.32Å |
| 236 | F | 96.1 | Very high | 94.7 | Very high | 10 Ų | 10 | 23.6 Ų | 23.6 | 4% | 0.044 | 12% | 0.123 | C | C | . | . | trans | -63 | 135.3 | 171.7 | -177 | -95.2 | 0 | 0 | 0 | 110.9 | F165 S214 A233 A234 E238 T255 R256 Q294 Y298 | F165-F236 HydrophobicContact CE1-CD1 4.45Å; F165-F236 HydrophobicContact CZ-CE1 4.18Å; S214-F236 WeakPolarHBondContact CB-O 3.45Å; S214-F236 PolarHBondContact N-O 3.48Å; A233-F236 PolarHBondContact O-N 3.48Å; A234-F236 VanDerWaalsContact C-N 3.26Å; A234-F236 PolarHBondContact O-N 3.15Å; F236-E238 HydrophobicContact CE1-CB 4.34Å; F236-T255 HydrophobicContact CE2-CG2 4.07Å; F236-T255 HydrophobicContact CZ-CG2 3.6Å; F236-R256 CarbonylContact C-O 3.54Å; F236-R256 WeakPolarHBondContact CA-O 3.47Å; F236-Q294 VanDerWaalsContact CE2-OE1 3.24Å; F236-Y298 AromaticContact CZ-CE2 3.9Å; F236-Y298 HydrophobicContact CZ-CE2 3.9Å | ||
| 237 | V | 97.2 | Very high | 94.6 | Very high | 13 Ų | 13 | 28.6 Ų | 28.6 | 8% | 0.079 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 128.4 | 175.5 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | R212 R213 T255 R256 | R212-V237 CarbonylContact O-C 3.39Å; R212-V237 VanDerWaalsContact O-CA 3.28Å; R212-V237 WeakPolarHBondContact O-CA 3.38Å; R212-V237 WeakPolarHBondContact O-CG1 3.47Å; R213-V237 HydrophobicContact CB-CG2 4.26Å; R213-V237 HydrophobicContact CG-CG2 4.14Å; V237-T255 WeakPolarHBondContact O-CA 3.44Å; V237-R256 HydrophobicContact CB-CG 3.76Å; V237-R256 HydrophobicContact CG2-CG 4.47Å; V237-R256 PolarHBondContact N-O 2.83Å; V237-R256 PolarHBondContact O-N 3.23Å |
| 238 | E | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 120.7 | 169.1 | -173.9 | -175.5 | 102 | 0 | 0 | 108.3 | R144 F165 S211 R212 F236 V253 Y298 | R144-E238 IonicContact CZ-OE1 3.6Å; R144-E238 IonicContact CZ-OE2 3.96Å; R144-E238 IonicContact NH1-OE1 3.07Å; R144-E238 IonicContact NH1-OE2 3.69Å; R144-E238 PolarHBondContact NH1-OE2 2.94Å; R144-E238 IonicContact NH2-OE1 3.52Å; R144-E238 PolarHBondContact NH2-OE1 3.21Å; R144-E238 VanDerWaalsContact NH2-OE1 3.13Å; R144-E238 IonicContact NH2-OE2 3.85Å; R144-E238 PolarHBondContact NH2-OE2 3.13Å; R144-E238 VanDerWaalsContact NH2-OE2 3.15Å; F165-E238 HydrophobicContact CE1-CB 4.13Å; F165-E238 HydrophobicContact CZ-CB 3.7Å; S211-E238 CarbonylContact C-O 3.57Å; S211-E238 WeakPolarHBondContact CA-O 3.43Å; R212-E238 IonicContact CZ-OE1 3.72Å; R212-E238 PolarHBondContact N-O 2.95Å; R212-E238 IonicContact NE-OE1 2.78Å; R212-E238 PolarHBondContact NE-OE1 3.44Å; R212-E238 IonicContact NH2-OE1 2.68Å; R212-E238 PolarHBondContact NH2-OE1 2.86Å; R212-E238 PolarHBondContact O-N 3.37Å; F236-E238 HydrophobicContact CE1-CB 4.34Å; E238-V253 HydrophobicContact CG-CG1 3.67Å; E238-Y298 HydrophobicContact CG-CE1 4.26Å; E238-Y298 WeakPolarHBondContact OE2-CE1 3.5Å; E238-Y298 PolarHBondContact OE2-OH 3.3Å |
| 239 | T | 98.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 120.1 | 176.3 | -52.3 | 0 | 0 | 0 | 0 | 108.6 | I209 I210 S211 V253 Q254 R256 W437 | I209-T239 HydrophobicContact CG2-CG2 4.16Å; I210-T239 CarbonylContact O-C 3.05Å; I210-T239 WeakPolarHBondContact O-CA 3.4Å; S211-T239 PolarHBondContact OG-OG1 3.2Å; T239-V253 WeakPolarHBondContact O-CA 3.48Å; T239-Q254 PolarHBondContact N-O 2.96Å; T239-Q254 PolarHBondContact O-N 3.36Å; T239-R256 PolarHBondContact OG1-NH2 2.92Å; T239-W437 HydrophobicContact CG2-CH2 3.79Å; T239-W437 HydrophobicContact CG2-CZ3 4.21Å |
| 240 | E | 98.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.009 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132.4 | 177.7 | -178.5 | 178.6 | -153.1 | 0 | 0 | 110.4 | S141 L142 I209 I210 R212 I242 S251 F252 V253 | S141-E240 WeakPolarHBondContact CA-OE2 3.28Å; S141-E240 WeakPolarHBondContact CB-OE1 3.3Å; L142-E240 WeakPolarHBondContact CB-OE1 3.32Å; L142-E240 PolarHBondContact N-OE1 3.14Å; I209-E240 WeakPolarHBondContact CA-O 3.41Å; I210-E240 PolarHBondContact N-O 3.15Å; I210-E240 PolarHBondContact O-N 2.95Å; R212-E240 IonicContact CZ-OE2 3.38Å; R212-E240 VanDerWaalsContact CZ-OE2 3.29Å; R212-E240 IonicContact NH1-OE2 3.41Å; R212-E240 PolarHBondContact NH1-OE2 2.89Å; R212-E240 IonicContact NH2-OE2 3.35Å; R212-E240 PolarHBondContact NH2-OE2 3.25Å; E240-I242 HydrophobicContact CG-CD1 4.22Å; E240-I242 HydrophobicContact CG-CG1 3.79Å; E240-S251 VanDerWaalsContact CD-OG 3.28Å; E240-S251 WeakPolarHBondContact CG-OG 3.36Å; E240-S251 WeakPolarHBondContact OE1-CB 3.27Å; E240-S251 PolarHBondContact OE1-OG 3.3Å; E240-F252 WeakPolarHBondContact CA-O 3.3Å; E240-V253 HydrophobicContact CB-CG2 4.12Å; E240-V253 HydrophobicContact CG-CG2 3.92Å |
| 241 | Q | 98.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.009 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 123.6 | 171.9 | 175.2 | 179.1 | 69.1 | 0 | 0 | 109 | I208 S251 F252 A403 | I208-Q241 WeakPolarHBondContact O-CA 3.47Å; Q241-S251 CarbonylContact O-C 3.57Å; Q241-S251 VanDerWaalsContact O-CA 3.28Å; Q241-S251 WeakPolarHBondContact O-CA 3.18Å; Q241-F252 PolarHBondContact N-O 3.37Å; Q241-F252 PolarHBondContact O-N 3.25Å; Q241-A403 PolarHBondContact OE1-O 2.99Å |
| 242 | I | 98.3 | Very high | 96 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 140.2 | -179.1 | -53.2 | 174.4 | 0 | 0 | 0 | 109.7 | L83 L142 I208 I210 E240 A250 | L83-I242 HydrophobicContact CD1-CD1 4.17Å; L142-I242 HydrophobicContact CD2-CG2 4.44Å; I208-I242 HydrophobicContact CB-CB 4.15Å; I208-I242 HydrophobicContact CD1-CB 4.44Å; I208-I242 HydrophobicContact CD1-CG2 4.39Å; I208-I242 PolarHBondContact N-O 3.02Å; I208-I242 PolarHBondContact O-N 3.37Å; I210-I242 HydrophobicContact CD1-CD1 4.02Å; E240-I242 HydrophobicContact CG-CD1 4.22Å; E240-I242 HydrophobicContact CG-CG1 3.79Å; I242-A250 CarbonylContact C-O 3.49Å; I242-A250 VanDerWaalsContact CA-O 3.25Å; I242-A250 WeakPolarHBondContact CA-O 3.19Å; I242-A250 WeakPolarHBondContact CG2-O 3.38Å |
| 243 | V | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 133.2 | 171 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | F205 E206 K249 A250 L407 L411 M414 | F205-V243 HydrophobicContact CD2-CG1 4.15Å; E206-V243 WeakPolarHBondContact O-CA 3.47Å; V243-K249 WeakPolarHBondContact O-CA 3.43Å; V243-A250 PolarHBondContact N-O 3.04Å; V243-A250 PolarHBondContact O-N 3.09Å; V243-L407 HydrophobicContact CG2-CD1 3.21Å; V243-L411 HydrophobicContact CG1-CD2 4.04Å; V243-M414 HydrophobicContact CB-CE 4.36Å; V243-M414 HydrophobicContact CB-SD 4.44Å; V243-M414 HydrophobicContact CG1-CE 4.29Å; V243-M414 HydrophobicContact CG1-SD 3.75Å |
| 244 | Q | 95.7 | Very high | 96.3 | Very high | 37 Ų | 37 | 23 Ų | 23 | 17% | 0.173 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.8 | 174.7 | 179 | 179.2 | -21.4 | 0 | 0 | 111.1 | F205 E206 Y248 | F205-Q244 WeakPolarHBondContact CA-O 3.34Å; F205-Q244 WeakPolarHBondContact CB-O 3.47Å; E206-Q244 HydrophobicContact CB-CB 4.34Å; E206-Q244 PolarHBondContact N-O 3.17Å; E206-Q244 PolarHBondContact O-N 3.11Å; Q244-Y248 WeakPolarHBondContact CA-O 3.38Å |
| 245 | Y | 95.4 | Very high | 96.5 | Very high | 31 Ų | 31 | 23 Ų | 23 | 12% | 0.122 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 125.6 | 176.6 | 176.4 | -115.9 | 0 | 0 | 0 | 111.3 | K203 V204 F205 N247 Y248 M414 L416 | K203-Y245 HydrophobicContact CB-CE2 3.94Å; K203-Y245 WeakPolarHBondContact CD-OH 3.48Å; K203-Y245 WeakPolarHBondContact CG-OH 3.29Å; V204-Y245 WeakPolarHBondContact O-CD2 3.44Å; V204-Y245 WeakPolarHBondContact O-CE2 3.48Å; F205-Y245 HydrophobicContact CB-CD2 4.16Å; F205-Y245 HydrophobicContact CB-CG 4.47Å; Y245-N247 VanDerWaalsContact C-N 3.29Å; Y245-N247 PolarHBondContact O-N 3.48Å; Y245-Y248 PolarHBondContact N-O 3.49Å; Y245-Y248 WeakPolarHBondContact O-CA 3.25Å; Y245-Y248 VanDerWaalsContact O-CB 3.22Å; Y245-Y248 WeakPolarHBondContact O-CB 3.46Å; Y245-Y248 PolarHBondContact O-N 3.21Å; Y245-M414 HydrophobicContact CD1-CB 4.29Å; Y245-L416 HydrophobicContact CD1-CD1 4.25Å; Y245-L416 HydrophobicContact CD1-CD2 3.96Å; Y245-L416 HydrophobicContact CD1-CG 3.94Å; Y245-L416 HydrophobicContact CD2-CD1 4.48Å; Y245-L416 HydrophobicContact CD2-CD2 3.7Å; Y245-L416 HydrophobicContact CD2-CG 4.41Å; Y245-L416 HydrophobicContact CE1-CD2 3.98Å; Y245-L416 HydrophobicContact CE1-CG 4.25Å; Y245-L416 HydrophobicContact CE2-CD2 3.74Å; Y245-L416 HydrophobicContact CG-CD1 3.96Å; Y245-L416 HydrophobicContact CG-CD2 3.81Å; Y245-L416 HydrophobicContact CG-CG 4.02Å |
| 246 | N | 90.7 | Very high | 96.7 | Very high | 104 Ų | 104 | 22.5 Ų | 22.5 | 56% | 0.556 | 11% | 0.108 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 49.8 | 179.1 | -68.5 | -8.2 | 0 | 0 | 0 | 113.4 | Y248 | N246-Y248 WeakPolarHBondContact O-CD2 3.42Å; N246-Y248 PolarHBondContact O-N 3.11Å |
| 247 | N | 90.4 | Very high | 96.6 | Very high | 106 Ų | 106 | 22 Ų | 22 | 57% | 0.567 | 11% | 0.106 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65 | -11.1 | -173.8 | -59.4 | -20.3 | 0 | 0 | 0 | 116.8 | Y245 A372 | Y245-N247 VanDerWaalsContact C-N 3.29Å; Y245-N247 PolarHBondContact O-N 3.48Å; N247-A372 HydrophobicContact CB-CB 4.03Å |
| 248 | Y | 94.9 | Very high | 96.4 | Very high | 82 Ų | 82 | 21.8 Ų | 21.8 | 32% | 0.322 | 11% | 0.105 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 139.1 | 166.4 | -70.6 | -100.7 | 0 | 0 | 0 | 109.6 | Q244 Y245 N246 V370 D371 A372 | Q244-Y248 WeakPolarHBondContact CA-O 3.38Å; Y245-Y248 PolarHBondContact N-O 3.49Å; Y245-Y248 WeakPolarHBondContact O-CA 3.25Å; Y245-Y248 VanDerWaalsContact O-CB 3.22Å; Y245-Y248 WeakPolarHBondContact O-CB 3.46Å; Y245-Y248 PolarHBondContact O-N 3.21Å; N246-Y248 WeakPolarHBondContact O-CD2 3.42Å; N246-Y248 PolarHBondContact O-N 3.11Å; Y248-V370 WeakPolarHBondContact CA-O 3.4Å; Y248-D371 HydrophobicContact CD1-CB 4.38Å; Y248-D371 HydrophobicContact CE1-CB 3.9Å; Y248-A372 HydrophobicContact CD2-CB 4.16Å; Y248-A372 HydrophobicContact CE2-CB 3.86Å |
| 249 | K | 96.5 | Very high | 96.2 | Very high | 66 Ų | 66 | 21.8 Ų | 21.8 | 29% | 0.287 | 11% | 0.105 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 129.7 | 177.4 | -57.1 | 171.9 | -172.1 | 174.8 | 0 | 108.8 | L84 L142 V243 L369 V370 | L84-K249 HydrophobicContact CD1-CD 4.37Å; L84-K249 HydrophobicContact CD2-CD 3.82Å; L84-K249 HydrophobicContact CD2-CG 4.12Å; L142-K249 HydrophobicContact CD2-CB 3.84Å; V243-K249 WeakPolarHBondContact O-CA 3.43Å; K249-L369 WeakPolarHBondContact O-CA 3.43Å; K249-V370 HydrophobicContact CB-CB 4.48Å; K249-V370 PolarHBondContact N-O 2.81Å; K249-V370 VanDerWaalsContact N-O 3.14Å; K249-V370 PolarHBondContact O-N 3.45Å |
| 250 | A | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 146.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111 | I242 V243 Y367 F368 L369 Q410 M414 | I242-A250 CarbonylContact C-O 3.49Å; I242-A250 VanDerWaalsContact CA-O 3.25Å; I242-A250 WeakPolarHBondContact CA-O 3.19Å; I242-A250 WeakPolarHBondContact CG2-O 3.38Å; V243-A250 PolarHBondContact N-O 3.04Å; V243-A250 PolarHBondContact O-N 3.09Å; A250-Y367 HydrophobicContact CB-CD2 4.2Å; A250-Y367 HydrophobicContact CB-CE2 4.33Å; A250-F368 CarbonylContact C-O 3.57Å; A250-F368 WeakPolarHBondContact CA-O 3.34Å; A250-F368 WeakPolarHBondContact CB-O 3.37Å; A250-L369 HydrophobicContact CB-CD1 3.9Å; A250-Q410 HydrophobicContact CB-CB 4.27Å; A250-Q410 HydrophobicContact CB-CG 3.74Å; A250-M414 HydrophobicContact CB-CE 3.39Å |
| 251 | S | 98.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.007 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 137.5 | 176.8 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | E240 Q241 Y367 F368 | E240-S251 VanDerWaalsContact CD-OG 3.28Å; E240-S251 WeakPolarHBondContact CG-OG 3.36Å; E240-S251 WeakPolarHBondContact OE1-CB 3.27Å; E240-S251 PolarHBondContact OE1-OG 3.3Å; Q241-S251 CarbonylContact O-C 3.57Å; Q241-S251 VanDerWaalsContact O-CA 3.28Å; Q241-S251 WeakPolarHBondContact O-CA 3.18Å; S251-Y367 WeakPolarHBondContact O-CB 3.37Å; S251-F368 PolarHBondContact N-O 3.03Å; S251-F368 WeakPolarHBondContact O-CB 3.25Å; S251-F368 PolarHBondContact O-N 3.41Å |
| 252 | F | 98.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 0% | 0.004 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 119.5 | 172.7 | 180 | -119.9 | 0 | 0 | 0 | 110.4 | E240 Q241 Q254 F384 L402 A403 A406 | E240-F252 WeakPolarHBondContact CA-O 3.3Å; Q241-F252 PolarHBondContact N-O 3.37Å; Q241-F252 PolarHBondContact O-N 3.25Å; F252-Q254 HydrophobicContact CD1-CG 4.23Å; F252-Q254 HydrophobicContact CE1-CG 3.59Å; F252-Q254 HydrophobicContact CZ-CG 3.8Å; F252-F384 HydrophobicContact CZ-CD2 4.45Å; F252-L402 HydrophobicContact CE1-CB 4.38Å; F252-A403 HydrophobicContact CD1-CB 4.31Å; F252-A403 HydrophobicContact CE1-CB 4.47Å; F252-A406 HydrophobicContact CB-CB 3.98Å; F252-A406 HydrophobicContact CD1-CB 3.5Å; F252-A406 VanDerWaalsContact CD1-CB 3.5Å; F252-A406 HydrophobicContact CD2-CB 3.86Å; F252-A406 HydrophobicContact CE1-CB 3.79Å; F252-A406 HydrophobicContact CE2-CB 4.18Å; F252-A406 HydrophobicContact CG-CB 3.51Å; F252-A406 HydrophobicContact CZ-CB 4.15Å |
| 253 | V | 98.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 22.5 Ų | 22.5 | 4% | 0.042 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 137.3 | -176.4 | 178 | 0 | 0 | 0 | 0 | 110.8 | E238 T239 E240 Y298 Q380 T383 | E238-V253 HydrophobicContact CG-CG1 3.67Å; T239-V253 WeakPolarHBondContact O-CA 3.48Å; E240-V253 HydrophobicContact CB-CG2 4.12Å; E240-V253 HydrophobicContact CG-CG2 3.92Å; V253-Y298 HydrophobicContact CG1-CD1 4.27Å; V253-Y298 HydrophobicContact CG1-CE1 4.12Å; V253-Q380 PolarHBondContact O-NE2 3.08Å; V253-T383 HydrophobicContact CG1-CG2 4.44Å |
| 254 | Q | 98 | Very high | 95 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 1% | 0.014 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 155.4 | 170.4 | -65.3 | 177.9 | 68.5 | 0 | 0 | 110.1 | T239 F252 Q399 L402 | T239-Q254 PolarHBondContact N-O 2.96Å; T239-Q254 PolarHBondContact O-N 3.36Å; F252-Q254 HydrophobicContact CD1-CG 4.23Å; F252-Q254 HydrophobicContact CE1-CG 3.59Å; F252-Q254 HydrophobicContact CZ-CG 3.8Å; Q254-Q399 PolarHBondContact NE2-O 3.25Å; Q254-L402 VanDerWaalsContact OE1-CD1 3.29Å |
| 255 | T | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 154.2 | -177.9 | 64.1 | 0 | 0 | 0 | 0 | 111.4 | F236 V237 Y298 F384 R385 S386 Q399 | F236-T255 HydrophobicContact CE2-CG2 4.07Å; F236-T255 HydrophobicContact CZ-CG2 3.6Å; V237-T255 WeakPolarHBondContact O-CA 3.44Å; T255-Y298 HydrophobicContact CG2-CD1 4.45Å; T255-Y298 HydrophobicContact CG2-CD2 4.27Å; T255-Y298 HydrophobicContact CG2-CE1 4.16Å; T255-Y298 HydrophobicContact CG2-CE2 3.99Å; T255-F384 PolarHBondContact N-O 3.48Å; T255-F384 VanDerWaalsContact N-O 3.13Å; T255-R385 WeakPolarHBondContact O-CA 3.17Å; T255-R385 WeakPolarHBondContact OG1-CB 3.41Å; T255-S386 PolarHBondContact O-N 3.06Å; T255-Q399 PolarHBondContact O-NE2 2.85Å |
| 256 | R | 95.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.015 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 155.6 | 169.6 | 58.8 | -178.1 | 152.1 | -172.3 | -8.5 | 109.2 | S211 F236 V237 T239 S386 N440 C444 | S211-R256 PolarHBondContact OG-NH2 2.95Å; F236-R256 CarbonylContact C-O 3.54Å; F236-R256 WeakPolarHBondContact CA-O 3.47Å; V237-R256 HydrophobicContact CB-CG 3.76Å; V237-R256 HydrophobicContact CG2-CG 4.47Å; V237-R256 PolarHBondContact N-O 2.83Å; V237-R256 PolarHBondContact O-N 3.23Å; T239-R256 PolarHBondContact OG1-NH2 2.92Å; R256-S386 WeakPolarHBondContact CA-O 3.39Å; R256-S386 WeakPolarHBondContact CB-O 3.36Å; R256-N440 PolarHBondContact NH2-ND2 3.48Å; R256-C444 PolarHBondContact NH2-SG 2.63Å |
| 257 | G | 93.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | 174.8 | 177.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N387 C391 | G257-N387 PolarHBondContact O-ND2 3.32Å; G257-C391 PolarHBondContact O-SG 3.18Å | ||
| 258 | S | 93.8 | Very high | 93.9 | Very high | 7 Ų | 7 | 14 Ų | 14 | 5% | 0.049 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -61.9 | 161 | 178.3 | -161.6 | 0 | 0 | 0 | 0 | 112.9 | G226 A234 W263 R385 N387 | G226-S258 PolarHBondContact N-OG 3.37Å; A234-S258 VanDerWaalsContact O-CB 3.3Å; A234-S258 WeakPolarHBondContact O-CB 3.42Å; A234-S258 PolarHBondContact O-N 3.05Å; S258-W263 WeakPolarHBondContact OG-CZ2 3.5Å; S258-R385 PolarHBondContact O-NH2 2.77Å; S258-N387 PolarHBondContact O-ND2 3.43Å |
| 259 | I | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.051 | C | C | . | . | trans | -65.7 | 125.2 | 176.6 | -56.7 | 173.4 | 0 | 0 | 0 | 108.4 | G226 F261 W263 I307 L316 F320 N387 | G226-I259 WeakPolarHBondContact CA-O 3.49Å; I259-F261 VanDerWaalsContact C-N 3.31Å; I259-F261 HydrophobicContact CB-CE1 4.3Å; I259-F261 HydrophobicContact CG2-CD1 3.62Å; I259-F261 HydrophobicContact CG2-CE1 3.13Å; I259-F261 HydrophobicContact CG2-CZ 3.73Å; I259-F261 PolarHBondContact O-N 3.45Å; I259-W263 PolarHBondContact O-NE1 2.91Å; I259-W263 VanDerWaalsContact O-NE1 3.12Å; I259-I307 HydrophobicContact CD1-CD1 4.18Å; I259-I307 HydrophobicContact CD1-CG2 4.2Å; I259-L316 HydrophobicContact CD1-CB 4.22Å; I259-L316 HydrophobicContact CD1-CD1 4.45Å; I259-F320 HydrophobicContact CG2-CB 4.22Å; I259-F320 HydrophobicContact CG2-CD1 3.52Å; I259-F320 HydrophobicContact CG2-CD2 4.38Å; I259-F320 HydrophobicContact CG2-CE1 3.85Å; I259-F320 HydrophobicContact CG2-CG 3.8Å; I259-F320 HydrophobicContact CG2-CZ 4.41Å; I259-N387 HydrophobicContact CG1-CB 4.49Å | ||
| 260 | P | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -86.7 | 61.9 | -160.8 | 34.9 | -35.5 | 0 | 0 | 0 | 113.7 | I227 F287 H290 F291 F320 | I227-P260 VanDerWaalsContact CG2-CA 3.47Å; I227-P260 HydrophobicContact CG2-CB 3.71Å; P260-F287 HydrophobicContact CG-CD2 4.18Å; P260-F287 HydrophobicContact CG-CE2 4.21Å; P260-F287 WeakPolarHBondContact O-CD2 3.4Å; P260-H290 HydrophobicContact CB-CB 4.26Å; P260-H290 WeakPolarHBondContact CB-CD2 3.46Å; P260-F291 HydrophobicContact CB-CE2 4.38Å; P260-F291 HydrophobicContact CG-CD2 4.44Å; P260-F291 HydrophobicContact CG-CE2 3.45Å; P260-F291 VanDerWaalsContact CG-CE2 3.45Å; P260-F291 HydrophobicContact CG-CZ 3.83Å; P260-F320 HydrophobicContact CG-CE2 4Å; P260-F320 HydrophobicContact CG-CZ 4.02Å |
| 261 | F | 93.1 | Very high | 91.9 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.009 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -147.2 | 168 | 166.1 | 55.3 | -104.5 | 0 | 0 | 0 | 109.9 | G226 I227 I259 W263 I277 H283 L316 A319 F320 M323 | G226-F261 WeakPolarHBondContact CA-O 3.48Å; I227-F261 PolarHBondContact N-O 3.22Å; I259-F261 VanDerWaalsContact C-N 3.31Å; I259-F261 HydrophobicContact CB-CE1 4.3Å; I259-F261 HydrophobicContact CG2-CD1 3.62Å; I259-F261 HydrophobicContact CG2-CE1 3.13Å; I259-F261 HydrophobicContact CG2-CZ 3.73Å; I259-F261 PolarHBondContact O-N 3.45Å; F261-W263 HydrophobicContact CD2-CB 4.12Å; F261-W263 AromaticContact CD2-CD1 3.65Å; F261-W263 HydrophobicContact CD2-CG 4.23Å; F261-W263 HydrophobicContact CE2-CB 3.87Å; F261-W263 AromaticContact CE2-CD1 3.54Å; F261-W263 AromaticContact CE2-CG 3.89Å; F261-W263 HydrophobicContact CE2-CG 3.89Å; F261-W263 PolarHBondContact O-N 3.03Å; F261-W263 VanDerWaalsContact O-N 3.12Å; F261-I277 HydrophobicContact CD2-CG2 4.28Å; F261-I277 HydrophobicContact CE2-CD1 4.17Å; F261-I277 HydrophobicContact CE2-CG1 4.14Å; F261-I277 HydrophobicContact CE2-CG2 4.17Å; F261-H283 HydrophobicContact CB-CB 4.15Å; F261-L316 HydrophobicContact CE2-CD2 3.68Å; F261-L316 HydrophobicContact CZ-CB 4.33Å; F261-L316 HydrophobicContact CZ-CD2 3.68Å; F261-A319 HydrophobicContact CE1-CB 4.19Å; F261-A319 HydrophobicContact CE2-CB 4.46Å; F261-A319 HydrophobicContact CZ-CB 3.94Å; F261-F320 HydrophobicContact CE1-CB 3.96Å; F261-F320 HydrophobicContact CE1-CG 4.4Å; F261-M323 HydrophobicContact CD1-CG 4.44Å |
| 262 | Y | 93.2 | Very high | 91.2 | Very high | 14 Ų | 14 | 25.9 Ų | 25.9 | 6% | 0.055 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -68.3 | 105.7 | 179.8 | -54.6 | -78.3 | 0 | 0 | 0 | 112.9 | I227 D228 S278 V281 N282 H283 | I227-Y262 HydrophobicContact CD1-CE1 4.45Å; I227-Y262 HydrophobicContact CD1-CE2 4.05Å; I227-Y262 HydrophobicContact CG1-CD1 4.31Å; I227-Y262 HydrophobicContact CG1-CE1 4.05Å; I227-Y262 HydrophobicContact CG1-CE2 4.38Å; I227-Y262 WeakPolarHBondContact O-CE1 3.33Å; D228-Y262 WeakPolarHBondContact O-CE1 3.21Å; D228-Y262 PolarHBondContact O-OH 2.94Å; Y262-S278 PolarHBondContact O-N 3.49Å; Y262-V281 HydrophobicContact CD1-CG1 4.19Å; Y262-V281 HydrophobicContact CD2-CB 3.88Å; Y262-V281 HydrophobicContact CD2-CG1 3.36Å; Y262-V281 HydrophobicContact CE1-CG1 4.24Å; Y262-V281 HydrophobicContact CE2-CB 4.42Å; Y262-V281 HydrophobicContact CE2-CG1 3.42Å; Y262-V281 VanDerWaalsContact CE2-CG1 3.42Å; Y262-V281 HydrophobicContact CG-CB 4.09Å; Y262-V281 HydrophobicContact CG-CG1 3.79Å; Y262-N282 WeakPolarHBondContact CE2-O 3.46Å; Y262-H283 AromaticContact CD2-ND1 3.73Å; Y262-H283 PolarHBondContact N-ND1 3.32Å; Y262-H283 PolarHBondContact O-CE1 3.47Å; Y262-H283 VanDerWaalsContact O-CE1 3.25Å |
| 263 | W | 92.9 | Very high | 90.5 | Very high | 7 Ų | 7 | 25.9 Ų | 25.9 | 3% | 0.027 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 151.9 | 173.2 | 69.9 | -83.8 | 0 | 0 | 0 | 111.3 | R225 S258 I259 F261 Q265 P275 Q276 I277 L316 M389 | R225-W263 CarbonylContact C-O 3.57Å; R225-W263 HydrophobicContact CB-CD2 4.03Å; R225-W263 HydrophobicContact CB-CE3 4.04Å; R225-W263 HydrophobicContact CB-CH2 4.04Å; R225-W263 HydrophobicContact CB-CZ2 3.99Å; R225-W263 HydrophobicContact CB-CZ3 4.03Å; R225-W263 VanDerWaalsContact CB-O 3.27Å; R225-W263 WeakPolarHBondContact CB-O 3.36Å; R225-W263 VanDerWaalsContact CD-CH2 3.4Å; R225-W263 HydrophobicContact CG-CE3 4.27Å; R225-W263 HydrophobicContact CG-CH2 3.84Å; R225-W263 HydrophobicContact CG-CZ2 4.27Å; R225-W263 HydrophobicContact CG-CZ3 3.81Å; S258-W263 WeakPolarHBondContact OG-CZ2 3.5Å; I259-W263 PolarHBondContact O-NE1 2.91Å; I259-W263 VanDerWaalsContact O-NE1 3.12Å; F261-W263 HydrophobicContact CD2-CB 4.12Å; F261-W263 AromaticContact CD2-CD1 3.65Å; F261-W263 HydrophobicContact CD2-CG 4.23Å; F261-W263 HydrophobicContact CE2-CB 3.87Å; F261-W263 AromaticContact CE2-CD1 3.54Å; F261-W263 AromaticContact CE2-CG 3.89Å; F261-W263 HydrophobicContact CE2-CG 3.89Å; F261-W263 PolarHBondContact O-N 3.03Å; F261-W263 VanDerWaalsContact O-N 3.12Å; W263-Q265 HydrophobicContact CZ3-CB 3.99Å; W263-P275 HydrophobicContact CE3-CB 4.05Å; W263-P275 HydrophobicContact CZ3-CB 4.17Å; W263-Q276 CarbonylContact C-O 3.43Å; W263-Q276 VanDerWaalsContact CA-O 3.25Å; W263-Q276 WeakPolarHBondContact CA-O 3.24Å; W263-Q276 WeakPolarHBondContact CB-O 3.38Å; W263-I277 HydrophobicContact CB-CG1 4.43Å; W263-L316 HydrophobicContact CB-CD2 4.14Å; W263-L316 HydrophobicContact CD2-CD2 4.01Å; W263-L316 HydrophobicContact CE3-CD1 4.3Å; W263-L316 HydrophobicContact CE3-CD2 4.25Å; W263-L316 HydrophobicContact CG-CD2 3.96Å; W263-L316 HydrophobicContact CZ3-CD1 4.28Å; W263-M389 HydrophobicContact CE3-CE 4.43Å; W263-M389 HydrophobicContact CH2-CE 3.54Å; W263-M389 HydrophobicContact CH2-SD 3.99Å; W263-M389 HydrophobicContact CZ3-CE 3.33Å; W263-M389 HydrophobicContact CZ3-SD 4.29Å |
| 264 | S | 91.2 | Very high | 90 | Very high | 18 Ų | 18 | 33.2 Ų | 33.2 | 13% | 0.126 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 161 | -179.5 | 69.6 | 0 | 0 | 0 | 0 | 111.9 | P275 Q276 D586 | S264-P275 WeakPolarHBondContact O-CA 3.33Å; S264-Q276 PolarHBondContact N-O 2.7Å; S264-Q276 PolarHBondContact O-N 2.93Å; S264-D586 WeakPolarHBondContact CB-OD1 3.43Å |
| 265 | Q | 89.6 | Confident | 89.7 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.019 | 15% | 0.152 | C | C | . | . | trans | -146.4 | 67.3 | 178 | -170.6 | -170.9 | 22 | 0 | 0 | 109.7 | Y222 R225 W263 P273 M389 | Y222-Q265 WeakPolarHBondContact CB-O 3.27Å; Y222-Q265 HydrophobicContact CD1-CB 4.37Å; Y222-Q265 HydrophobicContact CD1-CG 4Å; Y222-Q265 WeakPolarHBondContact CD1-O 3.44Å; Y222-Q265 HydrophobicContact CE1-CG 4.22Å; Y222-Q265 CarbonylContact O-C 3.52Å; Y222-Q265 VanDerWaalsContact O-O 3.05Å; R225-Q265 HydrophobicContact CG-CB 4.49Å; W263-Q265 HydrophobicContact CZ3-CB 3.99Å; Q265-P273 HydrophobicContact CG-CB 4.06Å; Q265-P273 PolarHBondContact NE2-O 3.08Å; Q265-M389 VanDerWaalsContact CD-CE 3.42Å; Q265-M389 HydrophobicContact CG-CE 4.36Å | ||
| 266 | R | 88.1 | Confident | 89.4 | Confident | 45 Ų | 45 | 39 Ų | 39 | 17% | 0.17 | 17% | 0.174 | C | C | . | . | trans | -64.5 | 140.2 | -176 | -58.5 | -62.5 | -178.8 | -171.1 | -7.9 | 112 | Y223 P273 L585 D586 | Y223-R266 VanDerWaalsContact CD1-NH1 3.29Å; Y223-R266 PolarHBondContact O-NH1 3.47Å; R266-P273 VanDerWaalsContact O-CB 3.23Å; R266-P273 WeakPolarHBondContact O-CB 3.44Å; R266-L585 VanDerWaalsContact NH2-C 3.31Å; R266-L585 PolarHBondContact NH2-O 3.04Å; R266-L585 VanDerWaalsContact NH2-O 3.11Å; R266-D586 IonicContact CZ-OD1 3.84Å; R266-D586 IonicContact NE-OD1 2.79Å; R266-D586 IonicContact NH2-OD1 3.86Å; R266-D586 PolarHBondContact NH2-OD1 3.32Å; R266-D586 IonicContact NH2-OD2 2.94Å | ||
| 267 | P | 87.3 | Confident | 89.2 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | trans | -66 | 152 | 174.3 | 31.8 | -34.9 | 0 | 0 | 0 | 110.9 | Y222 Y223 V574 | Y222-P267 HydrophobicContact CD2-CB 4.2Å; Y223-P267 HydrophobicContact CE1-CG 4.32Å; Y223-P267 HydrophobicContact CE2-CG 3.89Å; Y223-P267 WeakPolarHBondContact OH-CG 3.43Å; P267-V574 HydrophobicContact CB-CG1 3.8Å; P267-V574 HydrophobicContact CB-CG2 4.34Å; P267-V574 HydrophobicContact CG-CB 4.42Å; P267-V574 HydrophobicContact CG-CG1 3.36Å | ||
| 268 | N | 85.9 | Confident | 89 | Confident | 29 Ų | 29 | 43.1 Ų | 43.1 | 16% | 0.155 | 20% | 0.199 | C | C | . | . | trans | -156.5 | 34.8 | -177.6 | 62.4 | 1.1 | 0 | 0 | 0 | 112.3 | K270 G570 R571 | N268-K270 PolarHBondContact O-N 3.27Å; N268-K270 WeakPolarHBondContact OD1-CB 3.43Å; N268-K270 WeakPolarHBondContact OD1-CG 3.4Å; N268-K270 PolarHBondContact OD1-N 2.93Å; N268-G570 CarbonylContact C-O 3.58Å; N268-R571 HydrophobicContact CB-CG 3.84Å | ||
| 269 | L | 83.9 | Confident | 88.7 | Confident | 13 Ų | 13 | 52.5 Ų | 52.5 | 7% | 0.068 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 60.3 | -9.1 | -170.9 | -57.3 | -179.6 | 0 | 0 | 0 | 116 | Y480 N484 F485 I566 L567 F573 V574 | L269-Y480 WeakPolarHBondContact O-CE2 3.5Å; L269-Y480 PolarHBondContact O-OH 3.42Å; L269-N484 WeakPolarHBondContact CA-OD1 3.46Å; L269-N484 HydrophobicContact CD2-CB 4.14Å; L269-N484 PolarHBondContact N-OD1 3.5Å; L269-F485 HydrophobicContact CD2-CE1 4.14Å; L269-F485 HydrophobicContact CD2-CZ 3.71Å; L269-I566 HydrophobicContact CD1-CG2 3.54Å; L269-L567 HydrophobicContact CB-CD2 3.95Å; L269-F573 HydrophobicContact CD1-CB 3.78Å; L269-F573 HydrophobicContact CD1-CG 4.42Å; L269-F573 HydrophobicContact CG-CB 4.35Å; L269-V574 HydrophobicContact CD2-CG2 3.79Å; L269-V574 HydrophobicContact CG-CG2 4.08Å |
| 270 | K | 84.9 | Confident | 88.2 | Confident | 118 Ų | 118 | 59.2 Ų | 59.2 | 51% | 0.513 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -73 | 141.6 | 172.8 | -58 | -179.5 | -177.9 | 178.2 | 0 | 109.2 | N268 K272 | N268-K270 PolarHBondContact O-N 3.27Å; N268-K270 WeakPolarHBondContact OD1-CB 3.43Å; N268-K270 WeakPolarHBondContact OD1-CG 3.4Å; N268-K270 PolarHBondContact OD1-N 2.93Å; K270-K272 PolarHBondContact O-N 3.25Å; K270-K272 VanDerWaalsContact O-N 3.16Å |
| 271 | Y | 78.1 | Confident | 87.8 | Confident | 168 Ų | 168 | 62.2 Ų | 62.2 | 66% | 0.659 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -53.3 | -39.2 | 178.3 | -178.2 | -103.6 | 0 | 0 | 0 | 113 | Y480 | Y271-Y480 HydrophobicContact CD2-CD2 4.23Š|
| 272 | K | 82.1 | Confident | 87.5 | Confident | 99 Ų | 99 | 67 Ų | 67 | 43% | 0.43 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -132.1 | 101 | 174.4 | -169.9 | 175.8 | -175.8 | 178.3 | 0 | 110.5 | K270 E313 | K270-K272 PolarHBondContact O-N 3.25Å; K270-K272 VanDerWaalsContact O-N 3.16Å; K272-E313 IonicContact NZ-OE1 3.15Å; K272-E313 PolarHBondContact NZ-OE1 3Å |
| 273 | P | 85.3 | Confident | 87.5 | Confident | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.013 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 147.7 | 174.5 | -9.9 | 22.8 | 0 | 0 | 0 | 110.5 | Y222 Q265 R266 | Y222-P273 HydrophobicContact CD1-CG 4.5Å; Y222-P273 HydrophobicContact CE1-CG 4.25Å; Y222-P273 HydrophobicContact CE2-CG 4.28Å; Q265-P273 HydrophobicContact CG-CB 4.06Å; Q265-P273 PolarHBondContact NE2-O 3.08Å; R266-P273 VanDerWaalsContact O-CB 3.23Å; R266-P273 WeakPolarHBondContact O-CB 3.44Å |
| 274 | K | 87.6 | Confident | 87.4 | Confident | 160 Ų | 160 | 70.2 Ų | 70.2 | 70% | 0.696 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -79.5 | 134.6 | 177.2 | -68.2 | -176 | 179.7 | -179.6 | 0 | 109.9 | ||
| 275 | P | 91.2 | Very high | 87.4 | Confident | 24 Ų | 24 | 72 Ų | 72 | 16% | 0.156 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 147.5 | 172.9 | 27.4 | -31.6 | 0 | 0 | 0 | 111.4 | W263 S264 S312 L316 M389 | W263-P275 HydrophobicContact CE3-CB 4.05Å; W263-P275 HydrophobicContact CZ3-CB 4.17Å; S264-P275 WeakPolarHBondContact O-CA 3.33Å; P275-S312 WeakPolarHBondContact CG-O 3.31Å; P275-L316 HydrophobicContact CB-CD1 3.73Å; P275-L316 HydrophobicContact CB-CD2 4.41Å; P275-L316 HydrophobicContact CB-CG 4.24Å; P275-L316 HydrophobicContact CG-CD1 3.77Å; P275-L316 HydrophobicContact CG-CG 4.23Å; P275-M389 HydrophobicContact CB-CE 3.92Å; P275-M389 HydrophobicContact CG-CE 4.15Å |
| 276 | Q | 91 | Very high | 87.5 | Confident | 102 Ų | 102 | 71.9 Ų | 71.9 | 48% | 0.477 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 118.9 | 179.3 | -62.4 | -173.1 | -26.6 | 0 | 0 | 108.3 | W263 S264 | W263-Q276 CarbonylContact C-O 3.43Å; W263-Q276 VanDerWaalsContact CA-O 3.25Å; W263-Q276 WeakPolarHBondContact CA-O 3.24Å; W263-Q276 WeakPolarHBondContact CB-O 3.38Å; S264-Q276 PolarHBondContact N-O 2.7Å; S264-Q276 PolarHBondContact O-N 2.93Å |
| 277 | I | 92.2 | Very high | 87.9 | Confident | 53 Ų | 53 | 69.7 Ų | 69.7 | 27% | 0.272 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 132.4 | 173.3 | -53.1 | -179.8 | 0 | 0 | 0 | 107 | F261 W263 L316 A319 | F261-I277 HydrophobicContact CD2-CG2 4.28Å; F261-I277 HydrophobicContact CE2-CD1 4.17Å; F261-I277 HydrophobicContact CE2-CG1 4.14Å; F261-I277 HydrophobicContact CE2-CG2 4.17Å; W263-I277 HydrophobicContact CB-CG1 4.43Å; I277-L316 HydrophobicContact CD1-CD2 3.96Å; I277-L316 HydrophobicContact CG1-CD2 3.74Å; I277-A319 HydrophobicContact CD1-CB 3.75Å |
| 278 | S | 89.7 | Confident | 88.2 | Confident | 36 Ų | 36 | 72.9 Ų | 72.9 | 25% | 0.252 | 35% | 0.354 | S | S | . | . | trans | -59.5 | 144.2 | 174.8 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | Y262 H283 | Y262-S278 PolarHBondContact O-N 3.49Å; S278-H283 PolarHBondContact O-CE1 2.76Å; S278-H283 PolarHBondContact O-NE2 3.01Å | ||
| 279 | K | 87.1 | Confident | 88.6 | Confident | 205 Ų | 205 | 76.3 Ų | 76.3 | 89% | 0.891 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -109 | -9.1 | 176.8 | -64.4 | -175.9 | -178.8 | -179.2 | 0 | 112.9 | ||
| 280 | V | 84 | Confident | 89.2 | Confident | 141 Ų | 141 | 75.9 Ų | 75.9 | 86% | 0.855 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -100.7 | -30.2 | -169.1 | -174.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 281 | V | 85.3 | Confident | 89.8 | Confident | 62 Ų | 62 | 70.2 Ų | 70.2 | 38% | 0.376 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -92.1 | 145.1 | -172.4 | -171.3 | 0 | 0 | 0 | 0 | 111.2 | Y262 H283 | Y262-V281 HydrophobicContact CD1-CG1 4.19Å; Y262-V281 HydrophobicContact CD2-CB 3.88Å; Y262-V281 HydrophobicContact CD2-CG1 3.36Å; Y262-V281 HydrophobicContact CE1-CG1 4.24Å; Y262-V281 HydrophobicContact CE2-CB 4.42Å; Y262-V281 HydrophobicContact CE2-CG1 3.42Å; Y262-V281 VanDerWaalsContact CE2-CG1 3.42Å; Y262-V281 HydrophobicContact CG-CB 4.09Å; Y262-V281 HydrophobicContact CG-CG1 3.79Å; V281-H283 PolarHBondContact O-N 2.98Å; V281-H283 VanDerWaalsContact O-N 3.12Å |
| 282 | N | 87.4 | Confident | 90.6 | Very high | 104 Ų | 104 | 66 Ų | 66 | 56% | 0.556 | 33% | 0.327 | S | S | * | . | trans | -72.8 | 100.5 | 172.2 | -176.2 | -2 | 0 | 0 | 0 | 110.9 | Y262 L284 D285 | Y262-N282 WeakPolarHBondContact CE2-O 3.46Å; N282-L284 VanDerWaalsContact C-N 3.3Å; N282-L284 PolarHBondContact O-N 3.02Å; N282-L284 PolarHBondContact OD1-N 3.14Å; N282-D285 HydrophobicContact CB-CB 4.5Å | ||
| 283 | H | 92 | Very high | 91.3 | Very high | 35 Ų | 35 | 63.7 Ų | 63.7 | 16% | 0.162 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.7 | -29.5 | 178.4 | -56.6 | -74.7 | 0 | 0 | 0 | 114.2 | F261 Y262 S278 V281 F287 M323 | F261-H283 HydrophobicContact CB-CB 4.15Å; Y262-H283 AromaticContact CD2-ND1 3.73Å; Y262-H283 PolarHBondContact N-ND1 3.32Å; Y262-H283 PolarHBondContact O-CE1 3.47Å; Y262-H283 VanDerWaalsContact O-CE1 3.25Å; S278-H283 PolarHBondContact O-CE1 2.76Å; S278-H283 PolarHBondContact O-NE2 3.01Å; V281-H283 PolarHBondContact O-N 2.98Å; V281-H283 VanDerWaalsContact O-N 3.12Å; H283-F287 WeakPolarHBondContact O-CB 3.38Å; H283-F287 PolarHBondContact O-N 3.35Å; H283-M323 HydrophobicContact CB-CE 3.61Å; H283-M323 HydrophobicContact CB-SD 3.99Å; H283-M323 WeakPolarHBondContact O-CE 3.45Å |
| 284 | L | 91.5 | Very high | 91.8 | Very high | 52 Ų | 52 | 63.9 Ų | 63.9 | 27% | 0.272 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -72.8 | -40.1 | -169.6 | -173.1 | 63.4 | 0 | 0 | 0 | 111.8 | N282 F287 Q288 M323 | N282-L284 VanDerWaalsContact C-N 3.3Å; N282-L284 PolarHBondContact O-N 3.02Å; N282-L284 PolarHBondContact OD1-N 3.14Å; L284-F287 WeakPolarHBondContact O-CB 3.32Å; L284-F287 PolarHBondContact O-N 2.79Å; L284-Q288 HydrophobicContact CD1-CG 4.34Å; L284-Q288 HydrophobicContact CG-CG 4.39Å; L284-Q288 WeakPolarHBondContact O-CB 3.35Å; L284-Q288 VanDerWaalsContact O-CG 3.28Å; L284-Q288 WeakPolarHBondContact O-CG 3.47Å; L284-Q288 PolarHBondContact O-N 2.91Å; L284-M323 HydrophobicContact CB-CE 3.78Å; L284-M323 HydrophobicContact CD1-CE 3.75Å; L284-M323 HydrophobicContact CG-CE 4.39Å; L284-M323 VanDerWaalsContact N-CE 3.33Å |
| 285 | D | 91.5 | Very high | 92.3 | Very high | 57 Ų | 57 | 57.7 Ų | 57.7 | 31% | 0.305 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.7 | -54 | 177.9 | 172.5 | 49.4 | 0 | 0 | 0 | 111.6 | N282 F287 Q288 R289 | N282-D285 HydrophobicContact CB-CB 4.5Å; D285-F287 VanDerWaalsContact C-N 3.32Å; D285-F287 PolarHBondContact O-N 2.91Å; D285-Q288 PolarHBondContact O-N 3.14Å; D285-R289 WeakPolarHBondContact O-CG 3.3Å; D285-R289 PolarHBondContact O-N 3.35Å; D285-R289 IonicContact OD1-CZ 3.93Å; D285-R289 VanDerWaalsContact OD1-CZ 3.29Å; D285-R289 IonicContact OD1-NE 2.8Å; D285-R289 PolarHBondContact OD1-NE 3.35Å; D285-R289 IonicContact OD1-NH2 2.84Å; D285-R289 PolarHBondContact OD1-NH2 2.91Å; D285-R289 IonicContact OD2-CZ 2.7Å; D285-R289 IonicContact OD2-NE 2.61Å; D285-R289 IonicContact OD2-NH1 2.97Å; D285-R289 IonicContact OD2-NH2 2.62Å; D285-R289 PolarHBondContact OD2-NH2 3.33Å |
| 286 | G | 92.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.3 | -34.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | I227 H290 | I227-G286 WeakPolarHBondContact CD1-O 3.34Å; G286-H290 WeakPolarHBondContact O-CB 3.38Å; G286-H290 PolarHBondContact O-N 3.23Å |
| 287 | F | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 175.2 | 178.8 | -82.6 | 0 | 0 | 0 | 112.1 | P260 H283 L284 D285 H290 F291 F320 M323 V324 | P260-F287 HydrophobicContact CG-CD2 4.18Å; P260-F287 HydrophobicContact CG-CE2 4.21Å; P260-F287 WeakPolarHBondContact O-CD2 3.4Å; H283-F287 WeakPolarHBondContact O-CB 3.38Å; H283-F287 PolarHBondContact O-N 3.35Å; L284-F287 WeakPolarHBondContact O-CB 3.32Å; L284-F287 PolarHBondContact O-N 2.79Å; D285-F287 VanDerWaalsContact C-N 3.32Å; D285-F287 PolarHBondContact O-N 2.91Å; F287-H290 WeakPolarHBondContact O-CB 3.28Å; F287-H290 PolarHBondContact O-N 3.48Å; F287-F291 AromaticContact CD1-CD2 3.98Å; F287-F291 HydrophobicContact CD1-CD2 3.98Å; F287-F291 HydrophobicContact CD2-CD2 4.21Å; F287-F291 HydrophobicContact CD2-CE2 4.02Å; F287-F291 AromaticContact CE1-CD2 3.58Å; F287-F291 HydrophobicContact CE1-CD2 3.58Å; F287-F291 AromaticContact CE1-CE2 3.97Å; F287-F291 HydrophobicContact CE1-CE2 3.97Å; F287-F291 AromaticContact CE2-CD2 3.88Å; F287-F291 HydrophobicContact CE2-CD2 3.88Å; F287-F291 AromaticContact CE2-CE2 3.45Å; F287-F291 HydrophobicContact CE2-CE2 3.45Å; F287-F291 VanDerWaalsContact CE2-CE2 3.45Å; F287-F291 HydrophobicContact CG-CD2 4.26Å; F287-F291 AromaticContact CZ-CD2 3.52Å; F287-F291 HydrophobicContact CZ-CD2 3.52Å; F287-F291 AromaticContact CZ-CE2 3.39Å; F287-F291 HydrophobicContact CZ-CE2 3.39Å; F287-F291 HydrophobicContact CZ-CZ 4.49Å; F287-F291 WeakPolarHBondContact O-CD2 3.35Å; F287-F291 PolarHBondContact O-N 3.43Å; F287-F291 VanDerWaalsContact O-N 3.09Å; F287-F320 AromaticContact CE2-CD2 3.84Å; F287-F320 HydrophobicContact CE2-CD2 3.84Å; F287-F320 AromaticContact CE2-CE2 3.6Å; F287-F320 HydrophobicContact CE2-CE2 3.6Å; F287-F320 HydrophobicContact CZ-CE2 4.23Å; F287-M323 HydrophobicContact CB-CE 3.92Å; F287-M323 HydrophobicContact CD2-CB 3.73Å; F287-M323 HydrophobicContact CD2-CG 4.28Å; F287-M323 HydrophobicContact CE1-CB 4.49Å; F287-M323 HydrophobicContact CE2-CB 3.6Å; F287-M323 HydrophobicContact CG-CB 4.21Å; F287-M323 HydrophobicContact CG-CE 4.21Å; F287-M323 HydrophobicContact CZ-CB 4.04Å; F287-V324 HydrophobicContact CE2-CG2 4.29Å; F287-V324 HydrophobicContact CZ-CB 4.4Å; F287-V324 HydrophobicContact CZ-CG2 3.7Å |
| 288 | Q | 94.8 | Very high | 93 | Very high | 71 Ų | 71 | 59.2 Ų | 59.2 | 33% | 0.332 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.3 | -50.9 | 177.5 | -77.1 | 174.6 | -33.4 | 0 | 0 | 110.2 | L284 D285 H290 F291 D292 | L284-Q288 HydrophobicContact CD1-CG 4.34Å; L284-Q288 HydrophobicContact CG-CG 4.39Å; L284-Q288 WeakPolarHBondContact O-CB 3.35Å; L284-Q288 VanDerWaalsContact O-CG 3.28Å; L284-Q288 WeakPolarHBondContact O-CG 3.47Å; L284-Q288 PolarHBondContact O-N 2.91Å; D285-Q288 PolarHBondContact O-N 3.14Å; Q288-H290 VanDerWaalsContact C-N 3.26Å; Q288-H290 PolarHBondContact O-N 2.98Å; Q288-F291 PolarHBondContact O-N 2.97Å; Q288-F291 VanDerWaalsContact O-N 3.09Å; Q288-D292 WeakPolarHBondContact O-CB 3.43Å; Q288-D292 PolarHBondContact O-N 3.16Å |
| 289 | R | 95 | Very high | 93.3 | Very high | 101 Ų | 101 | 58.4 Ų | 58.4 | 38% | 0.381 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -52.1 | -45.2 | 174.4 | -69 | 178.2 | -157.5 | 165.7 | 0.5 | 112.4 | S229 D285 S293 | S229-R289 PolarHBondContact O-NH1 2.78Å; D285-R289 WeakPolarHBondContact O-CG 3.3Å; D285-R289 PolarHBondContact O-N 3.35Å; D285-R289 IonicContact OD1-CZ 3.93Å; D285-R289 VanDerWaalsContact OD1-CZ 3.29Å; D285-R289 IonicContact OD1-NE 2.8Å; D285-R289 PolarHBondContact OD1-NE 3.35Å; D285-R289 IonicContact OD1-NH2 2.84Å; D285-R289 PolarHBondContact OD1-NH2 2.91Å; D285-R289 IonicContact OD2-CZ 2.7Å; D285-R289 IonicContact OD2-NE 2.61Å; D285-R289 IonicContact OD2-NH1 2.97Å; D285-R289 IonicContact OD2-NH2 2.62Å; D285-R289 PolarHBondContact OD2-NH2 3.33Å; R289-S293 PolarHBondContact O-N 2.81Å; R289-S293 VanDerWaalsContact O-N 3.11Å |
| 290 | H | 96.3 | Very high | 93.8 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.6 | -57 | 176.9 | -178.2 | 64.9 | 0 | 0 | 0 | 111.2 | G231 P260 G286 F287 Q288 S293 Q294 R385 | G231-H290 VanDerWaalsContact O-CB 3.29Å; G231-H290 WeakPolarHBondContact O-CB 3.4Å; G231-H290 PolarHBondContact O-ND1 3.44Å; P260-H290 HydrophobicContact CB-CB 4.26Å; P260-H290 WeakPolarHBondContact CB-CD2 3.46Å; G286-H290 WeakPolarHBondContact O-CB 3.38Å; G286-H290 PolarHBondContact O-N 3.23Å; F287-H290 WeakPolarHBondContact O-CB 3.28Å; F287-H290 PolarHBondContact O-N 3.48Å; Q288-H290 VanDerWaalsContact C-N 3.26Å; Q288-H290 PolarHBondContact O-N 2.98Å; H290-S293 PolarHBondContact O-N 2.97Å; H290-S293 PolarHBondContact O-OG 3.04Å; H290-Q294 WeakPolarHBondContact O-CG 3.36Å; H290-Q294 PolarHBondContact O-N 3.12Å; H290-R385 VanDerWaalsContact NE2-CZ 3.35Å; H290-R385 PolarHBondContact NE2-NE 3.29Å; H290-R385 VanDerWaalsContact NE2-NE 3.12Å; H290-R385 PolarHBondContact NE2-NH2 3.07Å; H290-R385 VanDerWaalsContact NE2-NH2 3.12Å |
| 291 | F | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -75.4 | -27.6 | -173.9 | -80.2 | -71.8 | 0 | 0 | 0 | 114.2 | P260 F287 Q288 S293 Q294 V295 Q301 I303 F320 I332 | P260-F291 HydrophobicContact CB-CE2 4.38Å; P260-F291 HydrophobicContact CG-CD2 4.44Å; P260-F291 HydrophobicContact CG-CE2 3.45Å; P260-F291 VanDerWaalsContact CG-CE2 3.45Å; P260-F291 HydrophobicContact CG-CZ 3.83Å; F287-F291 AromaticContact CD1-CD2 3.98Å; F287-F291 HydrophobicContact CD1-CD2 3.98Å; F287-F291 HydrophobicContact CD2-CD2 4.21Å; F287-F291 HydrophobicContact CD2-CE2 4.02Å; F287-F291 AromaticContact CE1-CD2 3.58Å; F287-F291 HydrophobicContact CE1-CD2 3.58Å; F287-F291 AromaticContact CE1-CE2 3.97Å; F287-F291 HydrophobicContact CE1-CE2 3.97Å; F287-F291 AromaticContact CE2-CD2 3.88Å; F287-F291 HydrophobicContact CE2-CD2 3.88Å; F287-F291 AromaticContact CE2-CE2 3.45Å; F287-F291 HydrophobicContact CE2-CE2 3.45Å; F287-F291 VanDerWaalsContact CE2-CE2 3.45Å; F287-F291 HydrophobicContact CG-CD2 4.26Å; F287-F291 AromaticContact CZ-CD2 3.52Å; F287-F291 HydrophobicContact CZ-CD2 3.52Å; F287-F291 AromaticContact CZ-CE2 3.39Å; F287-F291 HydrophobicContact CZ-CE2 3.39Å; F287-F291 HydrophobicContact CZ-CZ 4.49Å; F287-F291 WeakPolarHBondContact O-CD2 3.35Å; F287-F291 PolarHBondContact O-N 3.43Å; F287-F291 VanDerWaalsContact O-N 3.09Å; Q288-F291 PolarHBondContact O-N 2.97Å; Q288-F291 VanDerWaalsContact O-N 3.09Å; F291-S293 VanDerWaalsContact C-N 3.32Å; F291-Q294 HydrophobicContact CD1-CB 4.4Å; F291-Q294 HydrophobicContact CD1-CG 4.46Å; F291-Q294 PolarHBondContact O-N 3.48Å; F291-V295 WeakPolarHBondContact O-CB 3.38Å; F291-V295 VanDerWaalsContact O-CG2 3.26Å; F291-V295 WeakPolarHBondContact O-CG2 3.27Å; F291-V295 PolarHBondContact O-N 2.87Å; F291-Q301 HydrophobicContact CD1-CB 4.36Å; F291-Q301 HydrophobicContact CD1-CG 4.26Å; F291-Q301 HydrophobicContact CE1-CB 4.5Å; F291-I303 HydrophobicContact CE1-CD1 3.69Å; F291-I303 HydrophobicContact CE1-CG1 3.81Å; F291-I303 HydrophobicContact CE2-CD1 4Å; F291-I303 HydrophobicContact CZ-CD1 3.27Å; F291-I303 HydrophobicContact CZ-CG1 3.74Å; F291-F320 HydrophobicContact CE2-CE2 4.26Å; F291-F320 HydrophobicContact CZ-CE2 4.35Å; F291-F320 HydrophobicContact CZ-CZ 4.36Å; F291-I332 HydrophobicContact CB-CD1 3.45Å; F291-I332 VanDerWaalsContact CB-CD1 3.45Å; F291-I332 HydrophobicContact CB-CG1 4.37Å; F291-I332 HydrophobicContact CD1-CD1 4.02Å; F291-I332 HydrophobicContact CD1-CG1 4.38Å; F291-I332 HydrophobicContact CD2-CD1 4.12Å; F291-I332 HydrophobicContact CG-CD1 3.6Å; F291-I332 HydrophobicContact CG-CG1 4.43Å |
| 292 | D | 95.7 | Very high | 95 | Very high | 80 Ų | 80 | 42.6 Ų | 42.6 | 43% | 0.428 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 171.7 | -65.9 | -18.7 | 0 | 0 | 0 | 109.7 | Q288 Q294 V295 V296 | Q288-D292 WeakPolarHBondContact O-CB 3.43Å; Q288-D292 PolarHBondContact O-N 3.16Å; D292-Q294 PolarHBondContact O-N 2.83Å; D292-V295 PolarHBondContact O-N 3.35Å; D292-V296 WeakPolarHBondContact O-CG2 2.96Å; D292-V296 PolarHBondContact O-N 3.16Å |
| 293 | S | 95.8 | Very high | 95.5 | Very high | 49 Ų | 49 | 37.7 Ų | 37.7 | 34% | 0.343 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.8 | -41.2 | 173 | 80.4 | 0 | 0 | 0 | 0 | 112.4 | R289 H290 F291 V296 L297 | R289-S293 PolarHBondContact O-N 2.81Å; R289-S293 VanDerWaalsContact O-N 3.11Å; H290-S293 PolarHBondContact O-N 2.97Å; H290-S293 PolarHBondContact O-OG 3.04Å; F291-S293 VanDerWaalsContact C-N 3.32Å; S293-V296 PolarHBondContact O-N 3.13Å; S293-L297 WeakPolarHBondContact O-CB 3.36Å; S293-L297 WeakPolarHBondContact O-CD1 3.45Å; S293-L297 VanDerWaalsContact O-CG 3.27Å; S293-L297 WeakPolarHBondContact O-CG 3Å; S293-L297 PolarHBondContact O-N 2.88Å; S293-L297 VanDerWaalsContact O-N 3.07Å |
| 294 | Q | 96.7 | Very high | 95.6 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 3% | 0.028 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.6 | -40.3 | 178 | -65.6 | -61.1 | -80.8 | 0 | 0 | 111.6 | F236 H290 F291 D292 L297 Y298 Q301 | F236-Q294 VanDerWaalsContact CE2-OE1 3.24Å; H290-Q294 WeakPolarHBondContact O-CG 3.36Å; H290-Q294 PolarHBondContact O-N 3.12Å; F291-Q294 HydrophobicContact CD1-CB 4.4Å; F291-Q294 HydrophobicContact CD1-CG 4.46Å; F291-Q294 PolarHBondContact O-N 3.48Å; D292-Q294 PolarHBondContact O-N 2.83Å; Q294-L297 PolarHBondContact O-N 3.44Å; Q294-Y298 HydrophobicContact CB-CD2 4.45Å; Q294-Y298 WeakPolarHBondContact O-CA 3.45Å; Q294-Y298 VanDerWaalsContact O-CB 3.31Å; Q294-Y298 WeakPolarHBondContact O-CB 3.23Å; Q294-Y298 WeakPolarHBondContact O-CD2 3.38Å; Q294-Y298 PolarHBondContact O-N 2.85Å; Q294-Q301 HydrophobicContact CB-CG 3.99Å; Q294-Q301 PolarHBondContact O-NE2 3.4Å |
| 295 | V | 96.9 | Very high | 95.7 | Very high | 30 Ų | 30 | 33.7 Ų | 33.7 | 18% | 0.182 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.2 | -40.7 | 179.8 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | F291 D292 L297 G299 Q301 M331 | F291-V295 WeakPolarHBondContact O-CB 3.38Å; F291-V295 VanDerWaalsContact O-CG2 3.26Å; F291-V295 WeakPolarHBondContact O-CG2 3.27Å; F291-V295 PolarHBondContact O-N 2.87Å; D292-V295 PolarHBondContact O-N 3.35Å; V295-L297 VanDerWaalsContact C-N 3.35Å; V295-L297 PolarHBondContact O-N 3.42Å; V295-G299 WeakPolarHBondContact CA-O 3.49Å; V295-G299 VanDerWaalsContact O-CA 3.23Å; V295-G299 WeakPolarHBondContact O-CA 3.36Å; V295-G299 PolarHBondContact O-N 3.36Å; V295-Q301 HydrophobicContact CG2-CG 3.95Å; V295-M331 HydrophobicContact CG1-CB 4.29Å; V295-M331 HydrophobicContact CG1-CE 4.23Å; V295-M331 HydrophobicContact CG1-CG 4.36Å; V295-M331 HydrophobicContact CG2-CB 3.98Å |
| 296 | V | 95.7 | Very high | 95.5 | Very high | 128 Ų | 128 | 31 Ų | 31 | 78% | 0.776 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -62.8 | -42 | 175.1 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | D292 S293 | D292-V296 WeakPolarHBondContact O-CG2 2.96Å; D292-V296 PolarHBondContact O-N 3.16Å; S293-V296 PolarHBondContact O-N 3.13Å |
| 297 | L | 95.6 | Very high | 95.1 | Very high | 65 Ų | 65 | 31 Ų | 31 | 34% | 0.34 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -84.9 | -28.7 | -173 | -70 | 166.6 | 0 | 0 | 0 | 114.3 | S293 Q294 V295 | S293-L297 WeakPolarHBondContact O-CB 3.36Å; S293-L297 WeakPolarHBondContact O-CD1 3.45Å; S293-L297 VanDerWaalsContact O-CG 3.27Å; S293-L297 WeakPolarHBondContact O-CG 3Å; S293-L297 PolarHBondContact O-N 2.88Å; S293-L297 VanDerWaalsContact O-N 3.07Å; Q294-L297 PolarHBondContact O-N 3.44Å; V295-L297 VanDerWaalsContact C-N 3.35Å; V295-L297 PolarHBondContact O-N 3.42Å |
| 298 | Y | 97.3 | Very high | 94.5 | Very high | 18 Ų | 18 | 32.8 Ų | 32.8 | 7% | 0.071 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -133.7 | -0.2 | -167.7 | -57.9 | -67.6 | 0 | 0 | 0 | 114.2 | R164 F236 E238 V253 T255 Q294 G382 T383 | R164-Y298 PolarHBondContact NH1-OH 2.83Å; F236-Y298 AromaticContact CZ-CE2 3.9Å; F236-Y298 HydrophobicContact CZ-CE2 3.9Å; E238-Y298 HydrophobicContact CG-CE1 4.26Å; E238-Y298 WeakPolarHBondContact OE2-CE1 3.5Å; E238-Y298 PolarHBondContact OE2-OH 3.3Å; V253-Y298 HydrophobicContact CG1-CD1 4.27Å; V253-Y298 HydrophobicContact CG1-CE1 4.12Å; T255-Y298 HydrophobicContact CG2-CD1 4.45Å; T255-Y298 HydrophobicContact CG2-CD2 4.27Å; T255-Y298 HydrophobicContact CG2-CE1 4.16Å; T255-Y298 HydrophobicContact CG2-CE2 3.99Å; Q294-Y298 HydrophobicContact CB-CD2 4.45Å; Q294-Y298 WeakPolarHBondContact O-CA 3.45Å; Q294-Y298 VanDerWaalsContact O-CB 3.31Å; Q294-Y298 WeakPolarHBondContact O-CB 3.23Å; Q294-Y298 WeakPolarHBondContact O-CD2 3.38Å; Q294-Y298 PolarHBondContact O-N 2.85Å; Y298-G382 CarbonylContact O-C 3.57Å; Y298-G382 VanDerWaalsContact O-CA 3.27Å; Y298-G382 WeakPolarHBondContact O-CA 3.44Å; Y298-T383 WeakPolarHBondContact CB-OG1 3.43Å; Y298-T383 HydrophobicContact CD1-CG2 4.06Å; Y298-T383 HydrophobicContact CG-CG2 4.11Å |
| 299 | G | 96.9 | Very high | 93.9 | Very high | 20 Ų | 20 | 32.6 Ų | 32.6 | 21% | 0.206 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 73.4 | -149.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V295 Q301 E381 | V295-G299 WeakPolarHBondContact CA-O 3.49Å; V295-G299 VanDerWaalsContact O-CA 3.23Å; V295-G299 WeakPolarHBondContact O-CA 3.36Å; V295-G299 PolarHBondContact O-N 3.36Å; G299-Q301 PolarHBondContact O-NE2 2.78Å; G299-E381 WeakPolarHBondContact CA-O 3.48Å |
| 300 | K | 97.9 | Very high | 93.2 | Very high | 72 Ų | 72 | 35 Ų | 35 | 31% | 0.313 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 139.8 | -176.8 | -68.9 | 171.4 | 179.4 | 167.7 | 0 | 111.7 | M331 E364 F365 E381 G382 T383 | K300-M331 HydrophobicContact CB-CE 4.49Å; K300-M331 HydrophobicContact CG-CE 3.49Å; K300-M331 VanDerWaalsContact CG-CE 3.49Å; K300-M331 HydrophobicContact CG-SD 4.16Å; K300-E364 IonicContact NZ-OE1 3.72Å; K300-E364 PolarHBondContact NZ-OE1 3.42Å; K300-F365 HydrophobicContact CB-CD1 4.45Å; K300-F365 HydrophobicContact CB-CE1 3.46Å; K300-F365 VanDerWaalsContact CB-CE1 3.46Å; K300-F365 HydrophobicContact CB-CZ 3.5Å; K300-F365 HydrophobicContact CD-CE1 3.83Å; K300-F365 HydrophobicContact CG-CE1 4.3Å; K300-E381 PolarHBondContact N-O 3.34Å; K300-G382 CarbonylContact O-C 3.57Å; K300-G382 WeakPolarHBondContact O-CA 3.44Å; K300-T383 PolarHBondContact O-N 3.01Å |
| 301 | Q | 97.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 123.4 | -175.2 | -65.2 | -57.3 | -56.1 | 0 | 0 | 111.7 | F291 Q294 V295 G299 M331 I332 K333 T383 | F291-Q301 HydrophobicContact CD1-CB 4.36Å; F291-Q301 HydrophobicContact CD1-CG 4.26Å; F291-Q301 HydrophobicContact CE1-CB 4.5Å; Q294-Q301 HydrophobicContact CB-CG 3.99Å; Q294-Q301 PolarHBondContact O-NE2 3.4Å; V295-Q301 HydrophobicContact CG2-CG 3.95Å; G299-Q301 PolarHBondContact O-NE2 2.78Å; Q301-M331 PolarHBondContact N-O 3.38Å; Q301-I332 CarbonylContact O-C 3.47Å; Q301-I332 WeakPolarHBondContact O-CA 3.26Å; Q301-K333 PolarHBondContact O-N 2.59Å; Q301-T383 PolarHBondContact NE2-OG1 3.44Å; Q301-T383 PolarHBondContact OE1-OG1 3.43Å; Q301-T383 VanDerWaalsContact OE1-OG1 3.09Å |
| 302 | V | 97.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 113.9 | 167.1 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | L304 K333 I335 I361 F365 T383 F384 R385 | V302-L304 HydrophobicContact CG1-CD2 3.83Å; V302-L304 HydrophobicContact CG1-CG 4.42Å; V302-K333 CarbonylContact C-O 3.58Å; V302-K333 WeakPolarHBondContact CA-O 3.42Å; V302-K333 HydrophobicContact CG2-CB 4.26Å; V302-I335 HydrophobicContact CG1-CD1 3.92Å; V302-I335 HydrophobicContact CG1-CG1 4.47Å; V302-I361 HydrophobicContact CG2-CG2 3.73Å; V302-F365 HydrophobicContact CB-CE2 4.31Å; V302-F365 HydrophobicContact CG2-CE2 3.63Å; V302-F365 HydrophobicContact CG2-CZ 3.58Å; V302-T383 PolarHBondContact N-O 3.06Å; V302-F384 HydrophobicContact CB-CD1 3.65Å; V302-F384 HydrophobicContact CB-CE1 3.81Å; V302-F384 HydrophobicContact CG1-CD1 3.68Å; V302-F384 HydrophobicContact CG1-CE1 3.75Å; V302-F384 HydrophobicContact CG2-CD1 4.39Å; V302-F384 HydrophobicContact CG2-CE1 4.09Å; V302-F384 CarbonylContact O-C 3.55Å; V302-F384 WeakPolarHBondContact O-CA 3.24Å; V302-R385 PolarHBondContact O-N 3.01Å |
| 303 | I | 96.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 118 | 177.8 | -57.5 | 164.1 | 0 | 0 | 0 | 108.7 | F291 F320 V324 I332 K333 Y334 I335 R385 N387 | F291-I303 HydrophobicContact CE1-CD1 3.69Å; F291-I303 HydrophobicContact CE1-CG1 3.81Å; F291-I303 HydrophobicContact CE2-CD1 4Å; F291-I303 HydrophobicContact CZ-CD1 3.27Å; F291-I303 HydrophobicContact CZ-CG1 3.74Å; I303-F320 HydrophobicContact CB-CZ 4.47Å; I303-F320 HydrophobicContact CD1-CE2 3.86Å; I303-F320 HydrophobicContact CD1-CZ 3.86Å; I303-F320 HydrophobicContact CG1-CZ 4.39Å; I303-F320 HydrophobicContact CG2-CE1 3.55Å; I303-F320 HydrophobicContact CG2-CE2 4.31Å; I303-F320 HydrophobicContact CG2-CZ 3.4Å; I303-V324 HydrophobicContact CD1-CG2 3.85Å; I303-I332 HydrophobicContact CD1-CG2 3.44Å; I303-I332 VanDerWaalsContact CD1-CG2 3.44Å; I303-I332 HydrophobicContact CG1-CG2 4.15Å; I303-K333 PolarHBondContact N-O 2.79Å; I303-Y334 HydrophobicContact CB-CD2 4.15Å; I303-Y334 HydrophobicContact CG2-CD2 3.84Å; I303-Y334 HydrophobicContact CG2-CE2 4.32Å; I303-I335 PolarHBondContact O-N 2.79Å; I303-R385 WeakPolarHBondContact CA-O 3.49Å; I303-N387 WeakPolarHBondContact CG2-OD1 3.22Å |
| 304 | L | 94.9 | Very high | 91 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 99.6 | 173.2 | -57.2 | -177.7 | 0 | 0 | 0 | 109.3 | V302 I335 L354 V358 F384 R385 N387 I398 L402 | V302-L304 HydrophobicContact CG1-CD2 3.83Å; V302-L304 HydrophobicContact CG1-CG 4.42Å; L304-I335 HydrophobicContact CD2-CB 4.05Å; L304-I335 HydrophobicContact CD2-CD1 4.14Å; L304-I335 HydrophobicContact CD2-CG2 4.46Å; L304-L354 HydrophobicContact CD2-CD1 4.44Å; L304-V358 HydrophobicContact CD2-CG1 4.13Å; L304-F384 HydrophobicContact CD1-CB 4.28Å; L304-F384 HydrophobicContact CD1-CD1 3.95Å; L304-F384 HydrophobicContact CD1-CG 4.46Å; L304-F384 HydrophobicContact CD2-CD1 4.41Å; L304-F384 HydrophobicContact CG-CD1 4.21Å; L304-R385 PolarHBondContact N-O 3.04Å; L304-N387 PolarHBondContact O-N 3.25Å; L304-I398 HydrophobicContact CD1-CG2 3.74Å; L304-L402 HydrophobicContact CD1-CD1 3.7Å |
| 305 | N | 92.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 111.7 | -177.1 | -171.2 | 18.9 | 0 | 0 | 0 | 111.6 | I307 Y334 I335 F337 | N305-I307 VanDerWaalsContact ND2-CD1 3.27Å; N305-I307 WeakPolarHBondContact ND2-CD1 3.26Å; N305-I307 WeakPolarHBondContact ND2-CG1 3.22Å; N305-I307 WeakPolarHBondContact OD1-CG1 3.39Å; N305-I307 WeakPolarHBondContact OD1-CG2 3.42Å; N305-Y334 HydrophobicContact CB-CD2 4.48Å; N305-Y334 HydrophobicContact CB-CE2 3.56Å; N305-Y334 PolarHBondContact ND2-OH 3.35Å; N305-I335 PolarHBondContact N-O 3.23Å; N305-F337 PolarHBondContact O-N 2.82Å |
| 306 | L | 88 | Confident | 90.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -100.7 | 13.7 | -172 | -51.1 | 177.7 | 0 | 0 | 0 | 114 | F337 F339 L354 N387 C388 R394 T395 I398 | L306-F337 WeakPolarHBondContact CA-O 3.31Å; L306-F337 HydrophobicContact CD2-CB 4.19Å; L306-F337 HydrophobicContact CD2-CD1 4.12Å; L306-F339 HydrophobicContact CB-CB 4.41Å; L306-L354 HydrophobicContact CD2-CD2 4.23Å; L306-N387 WeakPolarHBondContact CB-O 3.28Å; L306-N387 WeakPolarHBondContact CG-O 3.37Å; L306-N387 PolarHBondContact N-O 3.28Å; L306-C388 HydrophobicContact CB-CB 4.49Å; L306-R394 HydrophobicContact CB-CB 4.41Å; L306-R394 HydrophobicContact CD1-CB 3.99Å; L306-R394 WeakPolarHBondContact CD1-O 3.31Å; L306-R394 PolarHBondContact O-NH1 2.78Å; L306-T395 HydrophobicContact CD1-CG2 4.15Å; L306-I398 HydrophobicContact CD1-CB 4.23Å; L306-I398 HydrophobicContact CD1-CG1 3.54Å; L306-I398 HydrophobicContact CD2-CG1 3.99Å; L306-I398 HydrophobicContact CG-CG1 4.42Å | ||
| 307 | I | 85.3 | Confident | 90.3 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | trans | -71.6 | 155.6 | -178.2 | 64.1 | -173.1 | 0 | 0 | 0 | 112.3 | I259 N305 Q309 E313 L316 E317 | I259-I307 HydrophobicContact CD1-CD1 4.18Å; I259-I307 HydrophobicContact CD1-CG2 4.2Å; N305-I307 VanDerWaalsContact ND2-CD1 3.27Å; N305-I307 WeakPolarHBondContact ND2-CD1 3.26Å; N305-I307 WeakPolarHBondContact ND2-CG1 3.22Å; N305-I307 WeakPolarHBondContact OD1-CG1 3.39Å; N305-I307 WeakPolarHBondContact OD1-CG2 3.42Å; I307-Q309 PolarHBondContact O-N 3.16Å; I307-E313 HydrophobicContact CB-CB 4.41Å; I307-L316 HydrophobicContact CD1-CB 4.22Å; I307-E317 VanDerWaalsContact CD1-CA 3.44Å; I307-E317 HydrophobicContact CD1-CB 3.39Å; I307-E317 HydrophobicContact CD1-CG 3.89Å; I307-E317 HydrophobicContact CG1-CB 3.88Å; I307-E317 HydrophobicContact CG1-CG 3.93Å | ||
| 308 | N | 81.2 | Confident | 90.1 | Very high | 36 Ų | 36 | 36.8 Ų | 36.8 | 19% | 0.193 | 20% | 0.203 | C | C | . | . | trans | -70.8 | 129.3 | 179.2 | -171.4 | -14.5 | 0 | 0 | 0 | 109.8 | K310 E313 D338 | N308-K310 PolarHBondContact O-N 3.37Å; N308-K310 PolarHBondContact OD1-N 3.4Å; N308-E313 HydrophobicContact CB-CB 4.22Å; N308-E313 PolarHBondContact N-OE2 2.62Å; N308-E313 WeakPolarHBondContact O-CB 3.48Å; N308-D338 PolarHBondContact OD1-OD2 2.8Å | ||
| 309 | Q | 81.8 | Confident | 89.9 | Confident | 67 Ų | 67 | 37.1 Ų | 37.1 | 31% | 0.313 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -79.2 | 2.4 | 179 | -66.8 | 175.5 | -8.5 | 0 | 0 | 112.4 | I307 K314 D338 | I307-Q309 PolarHBondContact O-N 3.16Å; Q309-K314 WeakPolarHBondContact O-CD 3.42Å; Q309-D338 HydrophobicContact CB-CB 4.36Å; Q309-D338 HydrophobicContact CG-CB 3.93Å; Q309-D338 PolarHBondContact N-OD2 2.83Å |
| 310 | K | 80.2 | Confident | 89.8 | Confident | 151 Ų | 151 | 36.1 Ų | 36.1 | 66% | 0.657 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -121.8 | 158.4 | 175.1 | -62.3 | -174.8 | -179.6 | -175.9 | 0 | 112.1 | N308 | N308-K310 PolarHBondContact O-N 3.37Å; N308-K310 PolarHBondContact OD1-N 3.4Å |
| 311 | G | 83.7 | Confident | 89.5 | Confident | 64 Ų | 64 | 35.9 Ų | 35.9 | 66% | 0.66 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | 72.9 | -144.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E313 K314 | G311-E313 VanDerWaalsContact C-N 3.27Å; G311-E313 PolarHBondContact O-N 2.94Å; G311-K314 PolarHBondContact O-N 3.42Å |
| 312 | S | 81.8 | Confident | 89.3 | Confident | 38 Ų | 38 | 42.6 Ų | 42.6 | 27% | 0.266 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -74 | -11.5 | -171.7 | 63.6 | 0 | 0 | 0 | 0 | 114.9 | P275 | P275-S312 WeakPolarHBondContact CG-O 3.31Š|
| 313 | E | 85.1 | Confident | 89.1 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 2% | 0.023 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -87.9 | -23.3 | 178.7 | -75.5 | 171.4 | -137.3 | 0 | 0 | 112.4 | K272 I307 N308 G311 P315 L316 E317 M389 R394 | K272-E313 IonicContact NZ-OE1 3.15Å; K272-E313 PolarHBondContact NZ-OE1 3Å; I307-E313 HydrophobicContact CB-CB 4.41Å; N308-E313 HydrophobicContact CB-CB 4.22Å; N308-E313 PolarHBondContact N-OE2 2.62Å; N308-E313 WeakPolarHBondContact O-CB 3.48Å; G311-E313 VanDerWaalsContact C-N 3.27Å; G311-E313 PolarHBondContact O-N 2.94Å; E313-P315 VanDerWaalsContact C-CD 3.5Å; E313-L316 WeakPolarHBondContact O-CB 3.41Å; E313-L316 PolarHBondContact O-N 3.04Å; E313-E317 PolarHBondContact O-N 2.83Å; E313-M389 HydrophobicContact CG-SD 4.04Å; E313-R394 IonicContact OE2-NH1 3.91Å; E313-R394 PolarHBondContact OE2-NH1 3.42Å; E313-R394 IonicContact OE2-NH2 3.6Å |
| 314 | K | 88.3 | Confident | 89 | Confident | 104 Ų | 104 | 44.4 Ų | 44.4 | 45% | 0.452 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -54.1 | -42.6 | -177.4 | -175.7 | -179.3 | -177.7 | -178.5 | 0 | 114.3 | Q309 G311 L316 E317 L318 | Q309-K314 WeakPolarHBondContact O-CD 3.42Å; G311-K314 PolarHBondContact O-N 3.42Å; K314-L316 VanDerWaalsContact C-N 3.26Å; K314-L316 PolarHBondContact O-N 3.13Å; K314-E317 WeakPolarHBondContact O-CB 3.46Å; K314-E317 PolarHBondContact O-N 3.18Å; K314-L318 HydrophobicContact CG-CD1 4.22Å; K314-L318 HydrophobicContact CG-CG 4.41Å; K314-L318 PolarHBondContact O-N 3.2Å; K314-L318 VanDerWaalsContact O-N 3.12Å |
| 315 | P | 91.7 | Very high | 88.9 | Confident | 73 Ų | 73 | 49 Ų | 49 | 47% | 0.474 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.9 | -32.4 | 178.6 | -24.7 | 36.1 | 0 | 0 | 0 | 113.7 | E313 A319 | E313-P315 VanDerWaalsContact C-CD 3.5Å; P315-A319 VanDerWaalsContact O-CB 3.3Å; P315-A319 WeakPolarHBondContact O-CB 3.37Å; P315-A319 PolarHBondContact O-N 3.22Å; P315-A319 VanDerWaalsContact O-N 3.08Å |
| 316 | L | 91.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.9 | -36.5 | 176.9 | -66.9 | 171.3 | 0 | 0 | 0 | 111.4 | I259 F261 W263 P275 I277 I307 E313 K314 F320 M389 | I259-L316 HydrophobicContact CD1-CB 4.22Å; I259-L316 HydrophobicContact CD1-CD1 4.45Å; F261-L316 HydrophobicContact CE2-CD2 3.68Å; F261-L316 HydrophobicContact CZ-CB 4.33Å; F261-L316 HydrophobicContact CZ-CD2 3.68Å; W263-L316 HydrophobicContact CB-CD2 4.14Å; W263-L316 HydrophobicContact CD2-CD2 4.01Å; W263-L316 HydrophobicContact CE3-CD1 4.3Å; W263-L316 HydrophobicContact CE3-CD2 4.25Å; W263-L316 HydrophobicContact CG-CD2 3.96Å; W263-L316 HydrophobicContact CZ3-CD1 4.28Å; P275-L316 HydrophobicContact CB-CD1 3.73Å; P275-L316 HydrophobicContact CB-CD2 4.41Å; P275-L316 HydrophobicContact CB-CG 4.24Å; P275-L316 HydrophobicContact CG-CD1 3.77Å; P275-L316 HydrophobicContact CG-CG 4.23Å; I277-L316 HydrophobicContact CD1-CD2 3.96Å; I277-L316 HydrophobicContact CG1-CD2 3.74Å; I307-L316 HydrophobicContact CD1-CB 4.22Å; E313-L316 WeakPolarHBondContact O-CB 3.41Å; E313-L316 PolarHBondContact O-N 3.04Å; K314-L316 VanDerWaalsContact C-N 3.26Å; K314-L316 PolarHBondContact O-N 3.13Å; L316-F320 WeakPolarHBondContact O-CB 3.45Å; L316-F320 PolarHBondContact O-N 2.82Å; L316-M389 HydrophobicContact CD1-CE 3.99Å; L316-M389 HydrophobicContact CD1-SD 3.74Å |
| 317 | E | 91.5 | Very high | 88.9 | Confident | 22 Ų | 22 | 53.1 Ų | 53.1 | 10% | 0.103 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.1 | -53.7 | 177.3 | -163.5 | -80 | 140.3 | 0 | 0 | 111.7 | I307 E313 K314 A319 F320 D321 Y334 | I307-E317 VanDerWaalsContact CD1-CA 3.44Å; I307-E317 HydrophobicContact CD1-CB 3.39Å; I307-E317 HydrophobicContact CD1-CG 3.89Å; I307-E317 HydrophobicContact CG1-CB 3.88Å; I307-E317 HydrophobicContact CG1-CG 3.93Å; E313-E317 PolarHBondContact O-N 2.83Å; K314-E317 WeakPolarHBondContact O-CB 3.46Å; K314-E317 PolarHBondContact O-N 3.18Å; E317-A319 VanDerWaalsContact C-N 3.27Å; E317-A319 PolarHBondContact O-N 2.94Å; E317-F320 PolarHBondContact O-N 3.19Å; E317-F320 VanDerWaalsContact O-N 3.11Å; E317-D321 PolarHBondContact O-N 3.25Å; E317-Y334 PolarHBondContact OE1-OH 2.68Å |
| 318 | L | 91.9 | Very high | 89 | Confident | 92 Ų | 92 | 56.2 Ų | 56.2 | 48% | 0.482 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 177.9 | -64.6 | 176.5 | 0 | 0 | 0 | 112.2 | K314 K322 | K314-L318 HydrophobicContact CG-CD1 4.22Å; K314-L318 HydrophobicContact CG-CG 4.41Å; K314-L318 PolarHBondContact O-N 3.2Å; K314-L318 VanDerWaalsContact O-N 3.12Å; L318-K322 VanDerWaalsContact O-CB 3.29Å; L318-K322 WeakPolarHBondContact O-CB 2.96Å; L318-K322 PolarHBondContact O-N 3.28Å; L318-K322 VanDerWaalsContact O-N 3.09Å |
| 319 | A | 93 | Very high | 89.3 | Confident | 25 Ų | 25 | 56.5 Ų | 56.5 | 21% | 0.207 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.9 | -47.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F261 I277 P315 E317 K322 M323 | F261-A319 HydrophobicContact CE1-CB 4.19Å; F261-A319 HydrophobicContact CE2-CB 4.46Å; F261-A319 HydrophobicContact CZ-CB 3.94Å; I277-A319 HydrophobicContact CD1-CB 3.75Å; P315-A319 VanDerWaalsContact O-CB 3.3Å; P315-A319 WeakPolarHBondContact O-CB 3.37Å; P315-A319 PolarHBondContact O-N 3.22Å; P315-A319 VanDerWaalsContact O-N 3.08Å; E317-A319 VanDerWaalsContact C-N 3.27Å; E317-A319 PolarHBondContact O-N 2.94Å; A319-K322 PolarHBondContact O-N 3.23Å; A319-M323 VanDerWaalsContact O-CG 3.25Å; A319-M323 WeakPolarHBondContact O-CG 3.08Å; A319-M323 PolarHBondContact O-N 3.22Å |
| 320 | F | 93.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62 | -47.4 | -179 | -160.5 | 178.9 | 0 | 0 | 0 | 112 | I259 P260 F261 F287 F291 I303 L316 E317 K322 M323 V324 Y334 N387 | I259-F320 HydrophobicContact CG2-CB 4.22Å; I259-F320 HydrophobicContact CG2-CD1 3.52Å; I259-F320 HydrophobicContact CG2-CD2 4.38Å; I259-F320 HydrophobicContact CG2-CE1 3.85Å; I259-F320 HydrophobicContact CG2-CG 3.8Å; I259-F320 HydrophobicContact CG2-CZ 4.41Å; P260-F320 HydrophobicContact CG-CE2 4Å; P260-F320 HydrophobicContact CG-CZ 4.02Å; F261-F320 HydrophobicContact CE1-CB 3.96Å; F261-F320 HydrophobicContact CE1-CG 4.4Å; F287-F320 AromaticContact CE2-CD2 3.84Å; F287-F320 HydrophobicContact CE2-CD2 3.84Å; F287-F320 AromaticContact CE2-CE2 3.6Å; F287-F320 HydrophobicContact CE2-CE2 3.6Å; F287-F320 HydrophobicContact CZ-CE2 4.23Å; F291-F320 HydrophobicContact CE2-CE2 4.26Å; F291-F320 HydrophobicContact CZ-CE2 4.35Å; F291-F320 HydrophobicContact CZ-CZ 4.36Å; I303-F320 HydrophobicContact CB-CZ 4.47Å; I303-F320 HydrophobicContact CD1-CE2 3.86Å; I303-F320 HydrophobicContact CD1-CZ 3.86Å; I303-F320 HydrophobicContact CG1-CZ 4.39Å; I303-F320 HydrophobicContact CG2-CE1 3.55Å; I303-F320 HydrophobicContact CG2-CE2 4.31Å; I303-F320 HydrophobicContact CG2-CZ 3.4Å; L316-F320 WeakPolarHBondContact O-CB 3.45Å; L316-F320 PolarHBondContact O-N 2.82Å; E317-F320 PolarHBondContact O-N 3.19Å; E317-F320 VanDerWaalsContact O-N 3.11Å; F320-K322 VanDerWaalsContact C-N 3.3Å; F320-K322 PolarHBondContact O-N 3.19Å; F320-M323 WeakPolarHBondContact O-CB 3.47Å; F320-M323 PolarHBondContact O-N 2.95Å; F320-M323 VanDerWaalsContact O-N 3.09Å; F320-V324 HydrophobicContact CD2-CG2 3.93Å; F320-V324 HydrophobicContact CE2-CG2 3.93Å; F320-V324 WeakPolarHBondContact O-CG2 3.36Å; F320-V324 PolarHBondContact O-N 3.07Å; F320-Y334 HydrophobicContact CB-CE2 4.3Å; F320-Y334 HydrophobicContact CD1-CD2 4.46Å; F320-Y334 AromaticContact CD1-CE2 3.74Å; F320-Y334 HydrophobicContact CD1-CE2 3.74Å; F320-Y334 HydrophobicContact CD2-CE2 4.46Å; F320-Y334 HydrophobicContact CE1-CE2 4.18Å; F320-Y334 AromaticContact CG-CE2 3.92Å; F320-Y334 HydrophobicContact CG-CE2 3.92Å; F320-N387 HydrophobicContact CE1-CB 4.46Å |
| 321 | D | 92.9 | Very high | 90.4 | Very high | 66 Ų | 66 | 53.7 Ų | 53.7 | 35% | 0.353 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.1 | -43.7 | 177.5 | -175 | 48.4 | 0 | 0 | 0 | 111.6 | E317 M323 V324 T325 Y334 | E317-D321 PolarHBondContact O-N 3.25Å; D321-M323 PolarHBondContact O-N 3.01Å; D321-V324 PolarHBondContact O-N 2.78Å; D321-T325 WeakPolarHBondContact O-CB 3.21Å; D321-T325 PolarHBondContact O-N 2.97Å; D321-T325 PolarHBondContact O-OG1 3.01Å; D321-Y334 HydrophobicContact CB-CD1 4.3Å; D321-Y334 HydrophobicContact CB-CE1 3.71Å; D321-Y334 VanDerWaalsContact OD1-CD1 3.31Å; D321-Y334 WeakPolarHBondContact OD1-CD1 3.37Å; D321-Y334 WeakPolarHBondContact OD1-CE1 3.4Å |
| 322 | K | 93.4 | Very high | 90.9 | Very high | 142 Ų | 142 | 51.4 Ų | 51.4 | 62% | 0.617 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.1 | -42 | 174 | -175.8 | 177.6 | 179.5 | -176.4 | 0 | 112.3 | L318 A319 F320 T325 S326 | L318-K322 VanDerWaalsContact O-CB 3.29Å; L318-K322 WeakPolarHBondContact O-CB 2.96Å; L318-K322 PolarHBondContact O-N 3.28Å; L318-K322 VanDerWaalsContact O-N 3.09Å; A319-K322 PolarHBondContact O-N 3.23Å; F320-K322 VanDerWaalsContact C-N 3.3Å; F320-K322 PolarHBondContact O-N 3.19Å; K322-T325 PolarHBondContact O-N 3.23Å; K322-S326 VanDerWaalsContact O-CB 3.24Å; K322-S326 WeakPolarHBondContact O-CB 3.47Å; K322-S326 PolarHBondContact O-N 3.09Å; K322-S326 PolarHBondContact O-OG 3.39Å |
| 323 | M | 92.9 | Very high | 91.6 | Very high | 23 Ų | 23 | 54.8 Ų | 54.8 | 11% | 0.113 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 178.8 | -67.2 | -48.2 | -68.5 | 0 | 0 | 111.8 | F261 H283 L284 F287 A319 F320 D321 S326 S327 | F261-M323 HydrophobicContact CD1-CG 4.44Å; H283-M323 HydrophobicContact CB-CE 3.61Å; H283-M323 HydrophobicContact CB-SD 3.99Å; H283-M323 WeakPolarHBondContact O-CE 3.45Å; L284-M323 HydrophobicContact CB-CE 3.78Å; L284-M323 HydrophobicContact CD1-CE 3.75Å; L284-M323 HydrophobicContact CG-CE 4.39Å; L284-M323 VanDerWaalsContact N-CE 3.33Å; F287-M323 HydrophobicContact CB-CE 3.92Å; F287-M323 HydrophobicContact CD2-CB 3.73Å; F287-M323 HydrophobicContact CD2-CG 4.28Å; F287-M323 HydrophobicContact CE1-CB 4.49Å; F287-M323 HydrophobicContact CE2-CB 3.6Å; F287-M323 HydrophobicContact CG-CB 4.21Å; F287-M323 HydrophobicContact CG-CE 4.21Å; F287-M323 HydrophobicContact CZ-CB 4.04Å; A319-M323 VanDerWaalsContact O-CG 3.25Å; A319-M323 WeakPolarHBondContact O-CG 3.08Å; A319-M323 PolarHBondContact O-N 3.22Å; F320-M323 WeakPolarHBondContact O-CB 3.47Å; F320-M323 PolarHBondContact O-N 2.95Å; F320-M323 VanDerWaalsContact O-N 3.09Å; D321-M323 PolarHBondContact O-N 3.01Å; M323-S326 PolarHBondContact O-N 3.38Å; M323-S327 WeakPolarHBondContact O-CB 3.19Å; M323-S327 PolarHBondContact O-N 2.8Å |
| 324 | V | 93.6 | Very high | 92.1 | Very high | 18 Ų | 18 | 56.2 Ų | 56.2 | 11% | 0.109 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.2 | -48.4 | 177.6 | 177.1 | 0 | 0 | 0 | 0 | 110.1 | F287 I303 F320 D321 S326 S327 G328 I332 Y334 | F287-V324 HydrophobicContact CE2-CG2 4.29Å; F287-V324 HydrophobicContact CZ-CB 4.4Å; F287-V324 HydrophobicContact CZ-CG2 3.7Å; I303-V324 HydrophobicContact CD1-CG2 3.85Å; F320-V324 HydrophobicContact CD2-CG2 3.93Å; F320-V324 HydrophobicContact CE2-CG2 3.93Å; F320-V324 WeakPolarHBondContact O-CG2 3.36Å; F320-V324 PolarHBondContact O-N 3.07Å; D321-V324 PolarHBondContact O-N 2.78Å; V324-S326 VanDerWaalsContact C-N 3.32Å; V324-S326 PolarHBondContact O-N 2.68Å; V324-S327 PolarHBondContact O-N 3.2Å; V324-G328 PolarHBondContact O-N 2.98Å; V324-I332 HydrophobicContact CG1-CG2 4.16Å; V324-Y334 HydrophobicContact CG2-CD2 4.13Å; V324-Y334 HydrophobicContact CG2-CG 4.23Å |
| 325 | T | 92.2 | Very high | 92.3 | Very high | 99 Ų | 99 | 52.7 Ų | 52.7 | 61% | 0.607 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.9 | -40.5 | 179.3 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | D321 K322 G328 | D321-T325 WeakPolarHBondContact O-CB 3.21Å; D321-T325 PolarHBondContact O-N 2.97Å; D321-T325 PolarHBondContact O-OG1 3.01Å; K322-T325 PolarHBondContact O-N 3.23Å; T325-G328 PolarHBondContact O-N 2.7Å |
| 326 | S | 91.4 | Very high | 92.2 | Very high | 67 Ų | 67 | 51 Ų | 51 | 47% | 0.469 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -74.2 | -27.6 | -179.2 | -53.6 | 0 | 0 | 0 | 0 | 113 | K322 M323 V324 G328 | K322-S326 VanDerWaalsContact O-CB 3.24Å; K322-S326 WeakPolarHBondContact O-CB 3.47Å; K322-S326 PolarHBondContact O-N 3.09Å; K322-S326 PolarHBondContact O-OG 3.39Å; M323-S326 PolarHBondContact O-N 3.38Å; V324-S326 VanDerWaalsContact C-N 3.32Å; V324-S326 PolarHBondContact O-N 2.68Å; S326-G328 VanDerWaalsContact C-N 3.27Å; S326-G328 PolarHBondContact O-N 2.8Å |
| 327 | S | 91.1 | Very high | 92 | Very high | 21 Ų | 21 | 52 Ų | 52 | 15% | 0.147 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.3 | -31.1 | 175.9 | -178.1 | 0 | 0 | 0 | 0 | 111.8 | M323 V324 N329 | M323-S327 WeakPolarHBondContact O-CB 3.19Å; M323-S327 PolarHBondContact O-N 2.8Å; V324-S327 PolarHBondContact O-N 3.2Å; S327-N329 PolarHBondContact O-N 3.19Å |
| 328 | G | 86.1 | Confident | 91.4 | Very high | 67 Ų | 67 | 51.2 Ų | 51.2 | 69% | 0.691 | 31% | 0.311 | S | S | * | . | trans | 63.3 | 12.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | V324 T325 S326 G330 | V324-G328 PolarHBondContact O-N 2.98Å; T325-G328 PolarHBondContact O-N 2.7Å; S326-G328 VanDerWaalsContact C-N 3.27Å; S326-G328 PolarHBondContact O-N 2.8Å; G328-G330 PolarHBondContact O-N 3.22Å | ||
| 329 | N | 88.2 | Confident | 90.5 | Very high | 41 Ų | 41 | 47.3 Ų | 47.3 | 22% | 0.219 | 29% | 0.29 | C | S | . | . | trans | -79.3 | 109.2 | -176.4 | -173.1 | -20 | 0 | 0 | 0 | 110.6 | S327 M331 I332 | S327-N329 PolarHBondContact O-N 3.19Å; N329-M331 PolarHBondContact O-N 3.24Å; N329-M331 VanDerWaalsContact O-N 3.11Å; N329-M331 VanDerWaalsContact OD1-CB 3.25Å; N329-M331 WeakPolarHBondContact OD1-CB 3.24Å; N329-M331 PolarHBondContact OD1-N 2.69Å; N329-I332 HydrophobicContact CB-CD1 3.81Å; N329-I332 HydrophobicContact CB-CG1 4.09Å; N329-I332 PolarHBondContact O-N 2.72Å | ||
| 330 | G | 90.4 | Very high | 89.4 | Confident | 82 Ų | 82 | 50.5 Ų | 50.5 | 85% | 0.845 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -11.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | G328 I332 | G328-G330 PolarHBondContact O-N 3.22Å; G330-I332 VanDerWaalsContact C-N 3.29Å |
| 331 | M | 94.3 | Very high | 88.3 | Confident | 77 Ų | 77 | 55.9 Ų | 55.9 | 38% | 0.379 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -6.4 | 174.7 | -58.3 | -63.4 | -75.8 | 0 | 0 | 113 | V295 K300 Q301 N329 | V295-M331 HydrophobicContact CG1-CB 4.29Å; V295-M331 HydrophobicContact CG1-CE 4.23Å; V295-M331 HydrophobicContact CG1-CG 4.36Å; V295-M331 HydrophobicContact CG2-CB 3.98Å; K300-M331 HydrophobicContact CB-CE 4.49Å; K300-M331 HydrophobicContact CG-CE 3.49Å; K300-M331 VanDerWaalsContact CG-CE 3.49Å; K300-M331 HydrophobicContact CG-SD 4.16Å; Q301-M331 PolarHBondContact N-O 3.38Å; N329-M331 PolarHBondContact O-N 3.24Å; N329-M331 VanDerWaalsContact O-N 3.11Å; N329-M331 VanDerWaalsContact OD1-CB 3.25Å; N329-M331 WeakPolarHBondContact OD1-CB 3.24Å; N329-M331 PolarHBondContact OD1-N 2.69Å |
| 332 | I | 95.3 | Very high | 87.1 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 9% | 0.087 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 126.1 | -177.1 | -51.4 | 173.6 | 0 | 0 | 0 | 109.6 | F291 Q301 I303 V324 N329 G330 | F291-I332 HydrophobicContact CB-CD1 3.45Å; F291-I332 VanDerWaalsContact CB-CD1 3.45Å; F291-I332 HydrophobicContact CB-CG1 4.37Å; F291-I332 HydrophobicContact CD1-CD1 4.02Å; F291-I332 HydrophobicContact CD1-CG1 4.38Å; F291-I332 HydrophobicContact CD2-CD1 4.12Å; F291-I332 HydrophobicContact CG-CD1 3.6Å; F291-I332 HydrophobicContact CG-CG1 4.43Å; Q301-I332 CarbonylContact O-C 3.47Å; Q301-I332 WeakPolarHBondContact O-CA 3.26Å; I303-I332 HydrophobicContact CD1-CG2 3.44Å; I303-I332 VanDerWaalsContact CD1-CG2 3.44Å; I303-I332 HydrophobicContact CG1-CG2 4.15Å; V324-I332 HydrophobicContact CG1-CG2 4.16Å; N329-I332 HydrophobicContact CB-CD1 3.81Å; N329-I332 HydrophobicContact CB-CG1 4.09Å; N329-I332 PolarHBondContact O-N 2.72Å; G330-I332 VanDerWaalsContact C-N 3.29Å |
| 333 | K | 95.2 | Very high | 85.6 | Confident | 109 Ų | 109 | 48.1 Ų | 48.1 | 47% | 0.474 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.1 | 171.9 | -168.8 | 173.6 | -175.5 | 171.2 | 0 | 110.2 | Q301 V302 I303 I361 | Q301-K333 PolarHBondContact O-N 2.59Å; V302-K333 CarbonylContact C-O 3.58Å; V302-K333 WeakPolarHBondContact CA-O 3.42Å; V302-K333 HydrophobicContact CG2-CB 4.26Å; I303-K333 PolarHBondContact N-O 2.79Å; K333-I361 HydrophobicContact CD-CD1 3.86Å; K333-I361 VanDerWaalsContact NZ-CD1 3.33Å |
| 334 | Y | 94.9 | Very high | 84 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 14% | 0.137 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 131.7 | 178.4 | 175.2 | -100.1 | 0 | 0 | 0 | 111.5 | I303 N305 E317 F320 D321 V324 A336 | I303-Y334 HydrophobicContact CB-CD2 4.15Å; I303-Y334 HydrophobicContact CG2-CD2 3.84Å; I303-Y334 HydrophobicContact CG2-CE2 4.32Å; N305-Y334 HydrophobicContact CB-CD2 4.48Å; N305-Y334 HydrophobicContact CB-CE2 3.56Å; N305-Y334 PolarHBondContact ND2-OH 3.35Å; E317-Y334 PolarHBondContact OE1-OH 2.68Å; F320-Y334 HydrophobicContact CB-CE2 4.3Å; F320-Y334 HydrophobicContact CD1-CD2 4.46Å; F320-Y334 AromaticContact CD1-CE2 3.74Å; F320-Y334 HydrophobicContact CD1-CE2 3.74Å; F320-Y334 HydrophobicContact CD2-CE2 4.46Å; F320-Y334 HydrophobicContact CE1-CE2 4.18Å; F320-Y334 AromaticContact CG-CE2 3.92Å; F320-Y334 HydrophobicContact CG-CE2 3.92Å; D321-Y334 HydrophobicContact CB-CD1 4.3Å; D321-Y334 HydrophobicContact CB-CE1 3.71Å; D321-Y334 VanDerWaalsContact OD1-CD1 3.31Å; D321-Y334 WeakPolarHBondContact OD1-CD1 3.37Å; D321-Y334 WeakPolarHBondContact OD1-CE1 3.4Å; V324-Y334 HydrophobicContact CG2-CD2 4.13Å; V324-Y334 HydrophobicContact CG2-CG 4.23Å; Y334-A336 HydrophobicContact CE1-CB 3.84Å |
| 335 | I | 93 | Very high | 82.3 | Confident | 30 Ų | 30 | 58.9 Ų | 58.9 | 15% | 0.154 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 111.8 | 177.7 | -56.8 | 177.3 | 0 | 0 | 0 | 108.4 | V302 I303 L304 N305 L354 V358 | V302-I335 HydrophobicContact CG1-CD1 3.92Å; V302-I335 HydrophobicContact CG1-CG1 4.47Å; I303-I335 PolarHBondContact O-N 2.79Å; L304-I335 HydrophobicContact CD2-CB 4.05Å; L304-I335 HydrophobicContact CD2-CD1 4.14Å; L304-I335 HydrophobicContact CD2-CG2 4.46Å; N305-I335 PolarHBondContact N-O 3.23Å; I335-L354 HydrophobicContact CG2-CD1 3.88Å; I335-V358 HydrophobicContact CD1-CG1 3.46Å; I335-V358 VanDerWaalsContact CD1-CG1 3.46Å |
| 336 | A | 90.1 | Very high | 80.4 | Confident | 37 Ų | 37 | 58.4 Ų | 58.4 | 31% | 0.306 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 128.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y334 | Y334-A336 HydrophobicContact CE1-CB 3.84Å |
| 337 | F | 86.4 | Confident | 79 | Confident | 22 Ų | 22 | 59 Ų | 59 | 10% | 0.096 | 32% | 0.316 | C | S | . | . | trans | -134.8 | 111.1 | 177.8 | -177.1 | -95.8 | 0 | 0 | 0 | 110.8 | N305 L306 F339 E342 L351 L354 | N305-F337 PolarHBondContact O-N 2.82Å; L306-F337 WeakPolarHBondContact CA-O 3.31Å; L306-F337 HydrophobicContact CD2-CB 4.19Å; L306-F337 HydrophobicContact CD2-CD1 4.12Å; F337-F339 HydrophobicContact CD1-CB 4.44Å; F337-F339 HydrophobicContact CE1-CD2 4.38Å; F337-F339 PolarHBondContact O-N 3.03Å; F337-E342 HydrophobicContact CE1-CB 4.13Å; F337-E342 HydrophobicContact CE2-CB 4.17Å; F337-E342 HydrophobicContact CE2-CG 3.98Å; F337-E342 HydrophobicContact CZ-CB 3.62Å; F337-E342 HydrophobicContact CZ-CG 3.93Å; F337-L351 HydrophobicContact CE1-CD2 3.93Å; F337-L351 HydrophobicContact CZ-CD2 4.29Å; F337-L354 HydrophobicContact CB-CD1 4.16Å; F337-L354 HydrophobicContact CB-CD2 4.13Å; F337-L354 HydrophobicContact CD1-CD2 4.04Å; F337-L354 HydrophobicContact CD2-CB 3.94Å; F337-L354 HydrophobicContact CD2-CD1 4.2Å; F337-L354 HydrophobicContact CD2-CD2 4.31Å; F337-L354 HydrophobicContact CD2-CG 4.38Å; F337-L354 HydrophobicContact CE2-CB 3.93Å; F337-L354 HydrophobicContact CG-CB 4.38Å; F337-L354 HydrophobicContact CG-CD1 4.3Å; F337-L354 HydrophobicContact CG-CD2 3.9Å; F337-L354 HydrophobicContact CG-CG 4.43Å; F337-L354 HydrophobicContact CZ-CB 4.35Å | ||
| 338 | D | 80 | Confident | 77.6 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.032 | 32% | 0.317 | C | S | . | . | trans | -74.1 | 89.8 | 177.6 | -170.5 | -21.5 | 0 | 0 | 0 | 111.3 | N308 Q309 H340 K341 E342 | N308-D338 PolarHBondContact OD1-OD2 2.8Å; Q309-D338 HydrophobicContact CB-CB 4.36Å; Q309-D338 HydrophobicContact CG-CB 3.93Å; Q309-D338 PolarHBondContact N-OD2 2.83Å; D338-H340 PolarHBondContact O-N 3.44Å; D338-H340 PolarHBondContact OD1-N 2.98Å; D338-K341 HydrophobicContact CB-CB 3.94Å; D338-K341 VanDerWaalsContact CG-CB 3.43Å; D338-K341 PolarHBondContact O-N 2.8Å; D338-K341 PolarHBondContact OD1-N 3.35Å; D338-K341 WeakPolarHBondContact OD2-CB 3.49Å; D338-E342 WeakPolarHBondContact O-CB 3.45Å; D338-E342 WeakPolarHBondContact O-CG 3.23Å; D338-E342 PolarHBondContact O-N 3.31Å | ||
| 339 | F | 72.4 | Confident | 76.7 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 4% | 0.039 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.4 | -35.2 | -179.9 | -166.3 | -82.6 | 0 | 0 | 0 | 113 | L306 F337 C343 W348 L351 R394 I398 | L306-F339 HydrophobicContact CB-CB 4.41Å; F337-F339 HydrophobicContact CD1-CB 4.44Å; F337-F339 HydrophobicContact CE1-CD2 4.38Å; F337-F339 PolarHBondContact O-N 3.03Å; F339-C343 HydrophobicContact CD1-CB 4.25Å; F339-C343 HydrophobicContact CE1-CB 4.21Å; F339-C343 WeakPolarHBondContact O-CB 3.22Å; F339-C343 PolarHBondContact O-N 2.9Å; F339-W348 HydrophobicContact CE1-CH2 4.02Å; F339-W348 AromaticContact CE1-CZ3 3.72Å; F339-W348 HydrophobicContact CE1-CZ3 3.72Å; F339-W348 HydrophobicContact CE2-CZ3 4.46Å; F339-W348 HydrophobicContact CZ-CH2 4.14Å; F339-W348 AromaticContact CZ-CZ3 3.5Å; F339-W348 HydrophobicContact CZ-CZ3 3.5Å; F339-L351 HydrophobicContact CD2-CD2 4.06Å; F339-L351 HydrophobicContact CE2-CD2 3.77Å; F339-R394 HydrophobicContact CB-CG 4.44Å; F339-R394 HydrophobicContact CD1-CB 4.44Å; F339-R394 HydrophobicContact CD1-CG 3.64Å; F339-R394 HydrophobicContact CD2-CB 4.25Å; F339-R394 HydrophobicContact CD2-CG 4.31Å; F339-R394 HydrophobicContact CE1-CB 4.49Å; F339-R394 HydrophobicContact CE1-CG 3.8Å; F339-R394 HydrophobicContact CE2-CB 4.28Å; F339-R394 HydrophobicContact CE2-CG 4.43Å; F339-R394 HydrophobicContact CG-CB 4.3Å; F339-R394 HydrophobicContact CG-CG 3.89Å; F339-R394 HydrophobicContact CZ-CB 4.37Å; F339-R394 HydrophobicContact CZ-CG 4.16Å; F339-I398 HydrophobicContact CE2-CD1 4.49Å |
| 340 | H | 69.9 | Low | 75.9 | Confident | 92 Ų | 92 | 64.4 Ų | 64.4 | 43% | 0.426 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -73.7 | -42.5 | -177.1 | -80.1 | 79.2 | 0 | 0 | 0 | 111.7 | D338 S344 R394 | D338-H340 PolarHBondContact O-N 3.44Å; D338-H340 PolarHBondContact OD1-N 2.98Å; H340-S344 VanDerWaalsContact O-CB 3.26Å; H340-S344 WeakPolarHBondContact O-CB 3.26Å; H340-S344 PolarHBondContact O-N 3.48Å; H340-R394 PolarHBondContact CE1-NH1 3.41Å; H340-R394 PolarHBondContact ND1-NH1 2.97Å |
| 341 | K | 71.4 | Confident | 75.3 | Confident | 113 Ų | 113 | 60.9 Ų | 60.9 | 49% | 0.491 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.4 | -50.4 | 175.9 | -179 | -171.2 | 170.4 | -154.4 | 0 | 110.5 | D338 S344 | D338-K341 HydrophobicContact CB-CB 3.94Å; D338-K341 VanDerWaalsContact CG-CB 3.43Å; D338-K341 PolarHBondContact O-N 2.8Å; D338-K341 PolarHBondContact OD1-N 3.35Å; D338-K341 WeakPolarHBondContact OD2-CB 3.49Å; K341-S344 WeakPolarHBondContact O-CB 3.32Å; K341-S344 PolarHBondContact O-N 3.38Å; K341-S344 PolarHBondContact O-OG 2.74Å |
| 342 | E | 67.1 | Low | 74.6 | Confident | 34 Ų | 34 | 61.8 Ų | 61.8 | 16% | 0.159 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -75.3 | -39.5 | -171.6 | -61.6 | -51.3 | 142.5 | 0 | 0 | 112.4 | F337 D338 S344 R350 | F337-E342 HydrophobicContact CE1-CB 4.13Å; F337-E342 HydrophobicContact CE2-CB 4.17Å; F337-E342 HydrophobicContact CE2-CG 3.98Å; F337-E342 HydrophobicContact CZ-CB 3.62Å; F337-E342 HydrophobicContact CZ-CG 3.93Å; D338-E342 WeakPolarHBondContact O-CB 3.45Å; D338-E342 WeakPolarHBondContact O-CG 3.23Å; D338-E342 PolarHBondContact O-N 3.31Å; E342-S344 VanDerWaalsContact C-N 3.32Å; E342-S344 PolarHBondContact O-N 3.18Å; E342-R350 HydrophobicContact CB-CB 4.32Å; E342-R350 WeakPolarHBondContact O-CD 3.2Å; E342-R350 WeakPolarHBondContact OE2-CD 3.46Å; E342-R350 IonicContact OE2-CZ 2.7Å; E342-R350 IonicContact OE2-NE 2.69Å; E342-R350 IonicContact OE2-NH1 3.47Å; E342-R350 PolarHBondContact OE2-NH1 2.93Å |
| 343 | C | 61 | Low | 74.1 | Confident | 11 Ų | 11 | 65.5 Ų | 65.5 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 8 | 177.6 | -57.6 | 0 | 0 | 0 | 0 | 113.6 | F339 M346 W348 L351 | F339-C343 HydrophobicContact CD1-CB 4.25Å; F339-C343 HydrophobicContact CE1-CB 4.21Å; F339-C343 WeakPolarHBondContact O-CB 3.22Å; F339-C343 PolarHBondContact O-N 2.9Å; C343-M346 PolarHBondContact O-N 2.81Å; C343-W348 HydrophobicContact CB-CE3 3.83Å; C343-W348 HydrophobicContact CB-CH2 4.28Å; C343-W348 HydrophobicContact CB-CZ3 3.7Å; C343-L351 WeakPolarHBondContact SG-CD2 3.39Å |
| 344 | S | 60.3 | Low | 73.7 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 28% | 0.28 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -56 | 141.6 | 174.7 | 59.9 | 0 | 0 | 0 | 0 | 111.2 | H340 K341 E342 M346 R347 | H340-S344 VanDerWaalsContact O-CB 3.26Å; H340-S344 WeakPolarHBondContact O-CB 3.26Å; H340-S344 PolarHBondContact O-N 3.48Å; K341-S344 WeakPolarHBondContact O-CB 3.32Å; K341-S344 PolarHBondContact O-N 3.38Å; K341-S344 PolarHBondContact O-OG 2.74Å; E342-S344 VanDerWaalsContact C-N 3.32Å; E342-S344 PolarHBondContact O-N 3.18Å; S344-M346 VanDerWaalsContact C-N 3.28Å; S344-M346 PolarHBondContact O-N 2.77Å; S344-R347 PolarHBondContact O-NE 2.95Å; S344-R347 VanDerWaalsContact O-NE 3.14Å; S344-R347 PolarHBondContact OG-NH2 3.37Å |
| 345 | R | 57.1 | Low | 73.4 | Confident | 228 Ų | 228 | 59.6 Ų | 59.6 | 86% | 0.86 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | 59.2 | 34.5 | -178.6 | -50.8 | 177.6 | -178.9 | 172.3 | -0.9 | 113.6 | R347 | R345-R347 VanDerWaalsContact C-N 3.3Å; R345-R347 PolarHBondContact O-N 2.8Å |
| 346 | M | 52.8 | Low | 73.2 | Confident | 88 Ų | 88 | 62.3 Ų | 62.3 | 43% | 0.433 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | 64.4 | 28.7 | 175.2 | -53 | -69.6 | -82.4 | 0 | 0 | 114.1 | C343 S344 W348 F458 R464 | C343-M346 PolarHBondContact O-N 2.81Å; S344-M346 VanDerWaalsContact C-N 3.28Å; S344-M346 PolarHBondContact O-N 2.77Å; M346-W348 VanDerWaalsContact C-CD1 3.49Å; M346-W348 PolarHBondContact O-N 2.99Å; M346-W348 HydrophobicContact SD-CZ2 4.11Å; M346-W348 PolarHBondContact SD-NE1 3.2Å; M346-W348 VanDerWaalsContact SD-NE1 3.44Å; M346-F458 HydrophobicContact CE-CD2 4.23Å; M346-F458 HydrophobicContact CE-CE2 4.49Å; M346-R464 HydrophobicContact CE-CB 3.6Å |
| 347 | R | 62.4 | Low | 73.2 | Confident | 81 Ų | 81 | 64 Ų | 64 | 31% | 0.306 | 30% | 0.298 | S | S | . | . | trans | -82.9 | 59.1 | 178 | -70.9 | -176.1 | -70.8 | 176.2 | -0.2 | 112.2 | S344 R345 H349 R350 | S344-R347 PolarHBondContact O-NE 2.95Å; S344-R347 VanDerWaalsContact O-NE 3.14Å; S344-R347 PolarHBondContact OG-NH2 3.37Å; R345-R347 VanDerWaalsContact C-N 3.3Å; R345-R347 PolarHBondContact O-N 2.8Å; R347-H349 PolarHBondContact O-N 2.79Å; R347-R350 HydrophobicContact CB-CG 4.43Å; R347-R350 WeakPolarHBondContact O-CB 3.5Å; R347-R350 PolarHBondContact O-N 2.68Å; R347-R350 VanDerWaalsContact O-N 3.08Å | ||
| 348 | W | 61.7 | Low | 73.6 | Confident | 46 Ų | 46 | 62.9 Ų | 62.9 | 17% | 0.174 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -66.6 | -21 | -175 | -58.4 | 109.7 | 0 | 0 | 0 | 114.1 | F339 C343 M346 R350 L351 F458 | F339-W348 HydrophobicContact CE1-CH2 4.02Å; F339-W348 AromaticContact CE1-CZ3 3.72Å; F339-W348 HydrophobicContact CE1-CZ3 3.72Å; F339-W348 HydrophobicContact CE2-CZ3 4.46Å; F339-W348 HydrophobicContact CZ-CH2 4.14Å; F339-W348 AromaticContact CZ-CZ3 3.5Å; F339-W348 HydrophobicContact CZ-CZ3 3.5Å; C343-W348 HydrophobicContact CB-CE3 3.83Å; C343-W348 HydrophobicContact CB-CH2 4.28Å; C343-W348 HydrophobicContact CB-CZ3 3.7Å; M346-W348 VanDerWaalsContact C-CD1 3.49Å; M346-W348 PolarHBondContact O-N 2.99Å; M346-W348 HydrophobicContact SD-CZ2 4.11Å; M346-W348 PolarHBondContact SD-NE1 3.2Å; M346-W348 VanDerWaalsContact SD-NE1 3.44Å; W348-R350 PolarHBondContact O-N 3.35Å; W348-L351 HydrophobicContact CE3-CD1 3.76Å; W348-L351 HydrophobicContact CE3-CG 4.36Å; W348-L351 HydrophobicContact CZ3-CD1 4.31Å; W348-L351 VanDerWaalsContact O-CB 3.29Å; W348-L351 WeakPolarHBondContact O-CB 3.08Å; W348-L351 WeakPolarHBondContact O-CG 3.35Å; W348-L351 PolarHBondContact O-N 2.63Å; W348-F458 HydrophobicContact CB-CZ 4.11Å; W348-F458 AromaticContact CD1-CE2 3.39Å; W348-F458 AromaticContact CD1-CZ 3.47Å; W348-F458 VanDerWaalsContact CD1-CZ 3.47Å; W348-F458 AromaticContact CD2-CE1 3.81Å; W348-F458 HydrophobicContact CD2-CE1 3.81Å; W348-F458 AromaticContact CD2-CE2 3.91Å; W348-F458 HydrophobicContact CD2-CE2 3.91Å; W348-F458 AromaticContact CD2-CZ 3.31Å; W348-F458 HydrophobicContact CD2-CZ 3.31Å; W348-F458 AromaticContact CE2-CE1 3.83Å; W348-F458 AromaticContact CE2-CE2 3.52Å; W348-F458 AromaticContact CE2-CZ 3.36Å; W348-F458 AromaticContact CE3-CE1 4Å; W348-F458 HydrophobicContact CE3-CE1 4Å; W348-F458 AromaticContact CE3-CZ 3.94Å; W348-F458 HydrophobicContact CE3-CZ 3.94Å; W348-F458 HydrophobicContact CG-CE1 4.31Å; W348-F458 AromaticContact CG-CE2 3.82Å; W348-F458 HydrophobicContact CG-CE2 3.82Å; W348-F458 AromaticContact CG-CZ 3.38Å; W348-F458 HydrophobicContact CG-CZ 3.38Å; W348-F458 HydrophobicContact CH2-CD1 4.41Å; W348-F458 HydrophobicContact CH2-CE1 4.16Å; W348-F458 HydrophobicContact CZ2-CD1 4.22Å; W348-F458 HydrophobicContact CZ2-CD2 4.34Å; W348-F458 HydrophobicContact CZ2-CE1 4.01Å; W348-F458 HydrophobicContact CZ2-CE2 4.15Å; W348-F458 HydrophobicContact CZ2-CG 4.37Å; W348-F458 AromaticContact CZ2-CZ 3.99Å; W348-F458 HydrophobicContact CZ2-CZ 3.99Å; W348-F458 HydrophobicContact CZ3-CE1 4.17Å; W348-F458 HydrophobicContact CZ3-CZ 4.49Å; W348-F458 AromaticContact NE1-CD2 3.89Å; W348-F458 AromaticContact NE1-CE2 3.18Å; W348-F458 AromaticContact NE1-CZ 3.46Å |
| 349 | H | 65.8 | Low | 74.3 | Confident | 129 Ų | 129 | 63.7 Ų | 63.7 | 60% | 0.597 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -55.7 | -23.7 | 170.1 | 71.5 | -94.1 | 0 | 0 | 0 | 112.6 | R347 L351 Q352 | R347-H349 PolarHBondContact O-N 2.79Å; H349-L351 PolarHBondContact O-N 2.87Å; H349-Q352 WeakPolarHBondContact O-CB 3.35Å; H349-Q352 PolarHBondContact O-N 3.46Å; H349-Q352 VanDerWaalsContact O-N 3.07Å |
| 350 | R | 72.8 | Confident | 75.4 | Confident | 67 Ų | 67 | 70.9 Ų | 70.9 | 25% | 0.253 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -72.9 | -14 | 177.3 | -66.6 | -173.1 | 164.6 | -156.1 | -0.3 | 113.7 | E342 R347 W348 Q352 I353 | E342-R350 HydrophobicContact CB-CB 4.32Å; E342-R350 WeakPolarHBondContact O-CD 3.2Å; E342-R350 WeakPolarHBondContact OE2-CD 3.46Å; E342-R350 IonicContact OE2-CZ 2.7Å; E342-R350 IonicContact OE2-NE 2.69Å; E342-R350 IonicContact OE2-NH1 3.47Å; E342-R350 PolarHBondContact OE2-NH1 2.93Å; R347-R350 HydrophobicContact CB-CG 4.43Å; R347-R350 WeakPolarHBondContact O-CB 3.5Å; R347-R350 PolarHBondContact O-N 2.68Å; R347-R350 VanDerWaalsContact O-N 3.08Å; W348-R350 PolarHBondContact O-N 3.35Å; R350-Q352 PolarHBondContact O-N 2.84Å; R350-I353 HydrophobicContact CB-CD1 4.04Å; R350-I353 HydrophobicContact CG-CD1 4.03Å; R350-I353 WeakPolarHBondContact O-CB 3.33Å; R350-I353 PolarHBondContact O-N 2.96Å |
| 351 | L | 77.8 | Confident | 76.6 | Confident | 8 Ų | 8 | 67.3 Ų | 67.3 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.6 | -29.1 | 167.3 | -65.3 | 179.9 | 0 | 0 | 0 | 111.1 | F337 F339 C343 W348 H349 I353 L354 L355 V397 I398 L401 | F337-L351 HydrophobicContact CE1-CD2 3.93Å; F337-L351 HydrophobicContact CZ-CD2 4.29Å; F339-L351 HydrophobicContact CD2-CD2 4.06Å; F339-L351 HydrophobicContact CE2-CD2 3.77Å; C343-L351 WeakPolarHBondContact SG-CD2 3.39Å; W348-L351 HydrophobicContact CE3-CD1 3.76Å; W348-L351 HydrophobicContact CE3-CG 4.36Å; W348-L351 HydrophobicContact CZ3-CD1 4.31Å; W348-L351 VanDerWaalsContact O-CB 3.29Å; W348-L351 WeakPolarHBondContact O-CB 3.08Å; W348-L351 WeakPolarHBondContact O-CG 3.35Å; W348-L351 PolarHBondContact O-N 2.63Å; H349-L351 PolarHBondContact O-N 2.87Å; L351-I353 PolarHBondContact O-N 2.88Å; L351-L354 PolarHBondContact O-N 3.37Å; L351-L354 VanDerWaalsContact O-N 3.12Å; L351-L355 WeakPolarHBondContact O-CG 3.46Å; L351-L355 PolarHBondContact O-N 2.93Å; L351-L355 VanDerWaalsContact O-N 3.11Å; L351-V397 HydrophobicContact CD1-CG1 3.63Å; L351-I398 HydrophobicContact CD2-CD1 3.76Å; L351-L401 HydrophobicContact CB-CD1 3.99Å; L351-L401 HydrophobicContact CD1-CD1 3.77Å; L351-L401 HydrophobicContact CG-CD1 4.49Å |
| 352 | Q | 79.4 | Confident | 77.8 | Confident | 95 Ų | 95 | 62.3 Ų | 62.3 | 44% | 0.444 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.6 | -34 | 175 | -163.6 | 58.8 | 46 | 0 | 0 | 111.5 | H349 R350 L354 L355 D356 | H349-Q352 WeakPolarHBondContact O-CB 3.35Å; H349-Q352 PolarHBondContact O-N 3.46Å; H349-Q352 VanDerWaalsContact O-N 3.07Å; R350-Q352 PolarHBondContact O-N 2.84Å; Q352-L354 VanDerWaalsContact C-N 3.28Å; Q352-L354 PolarHBondContact O-N 2.93Å; Q352-L355 PolarHBondContact O-N 2.85Å; Q352-L355 VanDerWaalsContact O-N 3.11Å; Q352-D356 PolarHBondContact NE2-OD1 2.85Å; Q352-D356 WeakPolarHBondContact O-CB 3.36Å; Q352-D356 PolarHBondContact O-N 3.35Å |
| 353 | I | 84.5 | Confident | 79.2 | Confident | 96 Ų | 96 | 65.5 Ų | 65.5 | 49% | 0.492 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.4 | -42 | 176.3 | -57.3 | 170.6 | 0 | 0 | 0 | 111.1 | R350 L351 S357 | R350-I353 HydrophobicContact CB-CD1 4.04Å; R350-I353 HydrophobicContact CG-CD1 4.03Å; R350-I353 WeakPolarHBondContact O-CB 3.33Å; R350-I353 PolarHBondContact O-N 2.96Å; L351-I353 PolarHBondContact O-N 2.88Å; I353-S357 WeakPolarHBondContact O-CB 3.39Å; I353-S357 PolarHBondContact O-N 2.89Å; I353-S357 VanDerWaalsContact O-N 3.13Å |
| 354 | L | 86.8 | Confident | 80.9 | Confident | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.9 | -41.1 | 177 | 179.5 | 62.7 | 0 | 0 | 0 | 111.3 | L304 L306 I335 F337 L351 Q352 S357 V358 I398 | L304-L354 HydrophobicContact CD2-CD1 4.44Å; L306-L354 HydrophobicContact CD2-CD2 4.23Å; I335-L354 HydrophobicContact CG2-CD1 3.88Å; F337-L354 HydrophobicContact CB-CD1 4.16Å; F337-L354 HydrophobicContact CB-CD2 4.13Å; F337-L354 HydrophobicContact CD1-CD2 4.04Å; F337-L354 HydrophobicContact CD2-CB 3.94Å; F337-L354 HydrophobicContact CD2-CD1 4.2Å; F337-L354 HydrophobicContact CD2-CD2 4.31Å; F337-L354 HydrophobicContact CD2-CG 4.38Å; F337-L354 HydrophobicContact CE2-CB 3.93Å; F337-L354 HydrophobicContact CG-CB 4.38Å; F337-L354 HydrophobicContact CG-CD1 4.3Å; F337-L354 HydrophobicContact CG-CD2 3.9Å; F337-L354 HydrophobicContact CG-CG 4.43Å; F337-L354 HydrophobicContact CZ-CB 4.35Å; L351-L354 PolarHBondContact O-N 3.37Å; L351-L354 VanDerWaalsContact O-N 3.12Å; Q352-L354 VanDerWaalsContact C-N 3.28Å; Q352-L354 PolarHBondContact O-N 2.93Å; L354-S357 PolarHBondContact O-N 2.94Å; L354-S357 PolarHBondContact O-OG 3.25Å; L354-V358 WeakPolarHBondContact O-CG2 3.4Å; L354-V358 PolarHBondContact O-N 2.96Å; L354-I398 HydrophobicContact CD2-CD1 3.84Å; L354-I398 HydrophobicContact CD2-CG1 4.41Å |
| 355 | L | 88 | Confident | 82.6 | Confident | 15 Ų | 15 | 68.7 Ų | 68.7 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 178.1 | -63.5 | 175.3 | 0 | 0 | 0 | 111.7 | L351 Q352 S357 V358 S359 L401 L402 | L351-L355 WeakPolarHBondContact O-CG 3.46Å; L351-L355 PolarHBondContact O-N 2.93Å; L351-L355 VanDerWaalsContact O-N 3.11Å; Q352-L355 PolarHBondContact O-N 2.85Å; Q352-L355 VanDerWaalsContact O-N 3.11Å; L355-S357 VanDerWaalsContact C-N 3.32Å; L355-S357 PolarHBondContact O-N 2.9Å; L355-V358 PolarHBondContact O-N 3.24Å; L355-S359 WeakPolarHBondContact O-CA 3.35Å; L355-S359 WeakPolarHBondContact O-CB 3.44Å; L355-S359 PolarHBondContact O-N 3.36Å; L355-L401 HydrophobicContact CD1-CB 3.81Å; L355-L401 HydrophobicContact CD1-CD1 4.14Å; L355-L401 HydrophobicContact CD1-CD2 4.38Å; L355-L401 HydrophobicContact CD1-CG 4.32Å; L355-L401 HydrophobicContact CD2-CB 3.86Å; L355-L401 HydrophobicContact CG-CB 4.4Å; L355-L402 HydrophobicContact CD2-CD2 3.83Å; L355-L402 HydrophobicContact CD2-CG 4.17Å |
| 356 | D | 88.9 | Confident | 84.5 | Confident | 87 Ų | 87 | 58.8 Ų | 58.8 | 47% | 0.465 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 178.1 | -65.2 | -17.1 | 0 | 0 | 0 | 110 | Q352 V358 S359 | Q352-D356 PolarHBondContact NE2-OD1 2.85Å; Q352-D356 WeakPolarHBondContact O-CB 3.36Å; Q352-D356 PolarHBondContact O-N 3.35Å; D356-V358 VanDerWaalsContact C-N 3.26Å; D356-V358 PolarHBondContact O-N 3.43Å; D356-S359 WeakPolarHBondContact O-CB 3.24Å; D356-S359 PolarHBondContact O-N 3.49Å; D356-S359 PolarHBondContact O-OG 3.48Å |
| 357 | S | 91 | Very high | 86.7 | Confident | 72 Ų | 72 | 55.2 Ų | 55.2 | 50% | 0.503 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.3 | -20.7 | 179.8 | 76.3 | 0 | 0 | 0 | 0 | 114.5 | I353 L354 L355 | I353-S357 WeakPolarHBondContact O-CB 3.39Å; I353-S357 PolarHBondContact O-N 2.89Å; I353-S357 VanDerWaalsContact O-N 3.13Å; L354-S357 PolarHBondContact O-N 2.94Å; L354-S357 PolarHBondContact O-OG 3.25Å; L355-S357 VanDerWaalsContact C-N 3.32Å; L355-S357 PolarHBondContact O-N 2.9Å |
| 358 | V | 94.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -108.1 | 1.2 | 176.7 | -54.5 | 0 | 0 | 0 | 0 | 113.5 | L304 I335 L354 L355 D356 E360 I361 Q362 F384 L402 | L304-V358 HydrophobicContact CD2-CG1 4.13Å; I335-V358 HydrophobicContact CD1-CG1 3.46Å; I335-V358 VanDerWaalsContact CD1-CG1 3.46Å; L354-V358 WeakPolarHBondContact O-CG2 3.4Å; L354-V358 PolarHBondContact O-N 2.96Å; L355-V358 PolarHBondContact O-N 3.24Å; D356-V358 VanDerWaalsContact C-N 3.26Å; D356-V358 PolarHBondContact O-N 3.43Å; V358-E360 PolarHBondContact O-N 2.9Å; V358-I361 HydrophobicContact CB-CD1 4.48Å; V358-I361 PolarHBondContact O-N 3.27Å; V358-Q362 PolarHBondContact O-N 3.06Å; V358-F384 HydrophobicContact CB-CE1 3.87Å; V358-F384 HydrophobicContact CB-CZ 4.32Å; V358-F384 HydrophobicContact CG1-CE1 4.35Å; V358-F384 HydrophobicContact CG2-CE1 4.13Å; V358-F384 HydrophobicContact CG2-CZ 4.46Å; V358-L402 HydrophobicContact CG2-CD2 3.91Å |
| 359 | S | 94.1 | Very high | 90.1 | Very high | 23 Ų | 23 | 49.3 Ų | 49.3 | 16% | 0.161 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.1 | -49.2 | -172.9 | 59.9 | 0 | 0 | 0 | 0 | 112.7 | L355 D356 I361 Q362 D363 | L355-S359 WeakPolarHBondContact O-CA 3.35Å; L355-S359 WeakPolarHBondContact O-CB 3.44Å; L355-S359 PolarHBondContact O-N 3.36Å; D356-S359 WeakPolarHBondContact O-CB 3.24Å; D356-S359 PolarHBondContact O-N 3.49Å; D356-S359 PolarHBondContact O-OG 3.48Å; S359-I361 VanDerWaalsContact C-N 3.29Å; S359-I361 PolarHBondContact O-N 3.4Å; S359-Q362 PolarHBondContact O-N 3.19Å; S359-D363 VanDerWaalsContact O-CG 3.25Å; S359-D363 PolarHBondContact O-N 3.49Å |
| 360 | E | 95.5 | Very high | 91.6 | Very high | 159 Ų | 159 | 43.9 Ų | 43.9 | 74% | 0.743 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -60.7 | -38.5 | 176.7 | -63.7 | 179.7 | 175.4 | 0 | 0 | 112 | V358 D363 E364 | V358-E360 PolarHBondContact O-N 2.9Å; E360-D363 PolarHBondContact O-N 3.23Å; E360-E364 PolarHBondContact O-N 3.01Å |
| 361 | I | 96.4 | Very high | 92.6 | Very high | 17 Ų | 17 | 41.6 Ų | 41.6 | 9% | 0.087 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.5 | -38.6 | 178.9 | -48.2 | 168.7 | 0 | 0 | 0 | 110.4 | V302 K333 V358 S359 D363 E364 F365 F384 | V302-I361 HydrophobicContact CG2-CG2 3.73Å; K333-I361 HydrophobicContact CD-CD1 3.86Å; K333-I361 VanDerWaalsContact NZ-CD1 3.33Å; V358-I361 HydrophobicContact CB-CD1 4.48Å; V358-I361 PolarHBondContact O-N 3.27Å; S359-I361 VanDerWaalsContact C-N 3.29Å; S359-I361 PolarHBondContact O-N 3.4Å; I361-D363 VanDerWaalsContact C-N 3.31Å; I361-E364 WeakPolarHBondContact O-CB 3.49Å; I361-E364 PolarHBondContact O-N 2.91Å; I361-F365 HydrophobicContact CG2-CD1 4.16Å; I361-F365 HydrophobicContact CG2-CE1 3.8Å; I361-F365 HydrophobicContact CG2-CE2 4.21Å; I361-F365 HydrophobicContact CG2-CZ 3.86Å; I361-F365 WeakPolarHBondContact O-CB 3.36Å; I361-F365 WeakPolarHBondContact O-CD1 3.49Å; I361-F365 WeakPolarHBondContact O-CG 3.19Å; I361-F365 PolarHBondContact O-N 3.38Å; I361-F384 HydrophobicContact CB-CZ 4.48Å; I361-F384 HydrophobicContact CG2-CZ 4.45Å |
| 362 | Q | 96.4 | Very high | 93.2 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -37.8 | 176.3 | -176.1 | 168.6 | 7.2 | 0 | 0 | 111.2 | V358 S359 F365 G366 F384 L402 | V358-Q362 PolarHBondContact O-N 3.06Å; S359-Q362 PolarHBondContact O-N 3.19Å; Q362-F365 PolarHBondContact O-N 2.92Å; Q362-G366 PolarHBondContact O-N 3.11Å; Q362-F384 HydrophobicContact CB-CE2 3.78Å; Q362-F384 HydrophobicContact CB-CZ 3.76Å; Q362-F384 HydrophobicContact CG-CE2 3.92Å; Q362-F384 HydrophobicContact CG-CZ 4.4Å; Q362-L402 PolarHBondContact NE2-O 3.49Å |
| 363 | D | 95.4 | Very high | 93.7 | Very high | 101 Ų | 101 | 45.6 Ų | 45.6 | 54% | 0.54 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.7 | -37.5 | 175.5 | -62.1 | -16.4 | 0 | 0 | 0 | 111.1 | S359 E360 I361 G366 R405 | S359-D363 VanDerWaalsContact O-CG 3.25Å; S359-D363 PolarHBondContact O-N 3.49Å; E360-D363 PolarHBondContact O-N 3.23Å; I361-D363 VanDerWaalsContact C-N 3.31Å; D363-G366 PolarHBondContact O-N 2.86Å; D363-R405 IonicContact OD1-CZ 3.81Å; D363-R405 IonicContact OD1-NE 3.19Å; D363-R405 PolarHBondContact OD1-NE 3.3Å; D363-R405 IonicContact OD1-NH2 3.18Å; D363-R405 PolarHBondContact OD1-NH2 3.25Å; D363-R405 IonicContact OD2-NH2 3.29Å; D363-R405 PolarHBondContact OD2-NH2 2.78Å |
| 364 | E | 96.4 | Very high | 93.9 | Very high | 114 Ų | 114 | 43.6 Ų | 43.6 | 53% | 0.533 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 172.2 | -174.6 | -167.8 | 159.7 | 0 | 0 | 112.3 | K300 E360 I361 G366 | K300-E364 IonicContact NZ-OE1 3.72Å; K300-E364 PolarHBondContact NZ-OE1 3.42Å; E360-E364 PolarHBondContact O-N 3.01Å; I361-E364 WeakPolarHBondContact O-CB 3.49Å; I361-E364 PolarHBondContact O-N 2.91Å; E364-G366 VanDerWaalsContact C-N 3.27Å; E364-G366 PolarHBondContact O-N 3.36Å |
| 365 | F | 97.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 2% | 0.022 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.5 | -30.3 | 179.7 | -75.5 | 6.4 | 0 | 0 | 0 | 112.2 | K300 V302 I361 Q362 Q380 E381 G382 F384 | K300-F365 HydrophobicContact CB-CD1 4.45Å; K300-F365 HydrophobicContact CB-CE1 3.46Å; K300-F365 VanDerWaalsContact CB-CE1 3.46Å; K300-F365 HydrophobicContact CB-CZ 3.5Å; K300-F365 HydrophobicContact CD-CE1 3.83Å; K300-F365 HydrophobicContact CG-CE1 4.3Å; V302-F365 HydrophobicContact CB-CE2 4.31Å; V302-F365 HydrophobicContact CG2-CE2 3.63Å; V302-F365 HydrophobicContact CG2-CZ 3.58Å; I361-F365 HydrophobicContact CG2-CD1 4.16Å; I361-F365 HydrophobicContact CG2-CE1 3.8Å; I361-F365 HydrophobicContact CG2-CE2 4.21Å; I361-F365 HydrophobicContact CG2-CZ 3.86Å; I361-F365 WeakPolarHBondContact O-CB 3.36Å; I361-F365 WeakPolarHBondContact O-CD1 3.49Å; I361-F365 WeakPolarHBondContact O-CG 3.19Å; I361-F365 PolarHBondContact O-N 3.38Å; Q362-F365 PolarHBondContact O-N 2.92Å; F365-Q380 WeakPolarHBondContact O-CA 3.3Å; F365-E381 PolarHBondContact O-N 3.27Å; F365-G382 WeakPolarHBondContact CD2-O 3.42Å; F365-F384 HydrophobicContact CD2-CD2 4.4Å; F365-F384 AromaticContact CD2-CE2 3.93Å; F365-F384 HydrophobicContact CD2-CE2 3.93Å; F365-F384 HydrophobicContact CD2-CZ 4.24Å; F365-F384 HydrophobicContact CE2-CE2 4.5Å |
| 366 | G | 96.9 | Very high | 94.6 | Very high | 19 Ų | 19 | 51.9 Ų | 51.9 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | trans | 61 | -151.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q362 D363 E364 | Q362-G366 PolarHBondContact O-N 3.11Å; D363-G366 PolarHBondContact O-N 2.86Å; E364-G366 VanDerWaalsContact C-N 3.27Å; E364-G366 PolarHBondContact O-N 3.36Å | ||
| 367 | Y | 97.9 | Very high | 94.9 | Very high | 14 Ų | 14 | 51.6 Ų | 51.6 | 6% | 0.055 | 28% | 0.284 | C | S | . | . | trans | -152.6 | 161.9 | 176.1 | 53.2 | -95.4 | 0 | 0 | 0 | 108.6 | A250 S251 L369 M378 S409 Q410 | A250-Y367 HydrophobicContact CB-CD2 4.2Å; A250-Y367 HydrophobicContact CB-CE2 4.33Å; S251-Y367 WeakPolarHBondContact O-CB 3.37Å; Y367-L369 HydrophobicContact CD2-CB 4.23Å; Y367-L369 HydrophobicContact CE2-CB 4Å; Y367-L369 HydrophobicContact CE2-CD1 4.5Å; Y367-L369 HydrophobicContact CE2-CD2 4.41Å; Y367-M378 HydrophobicContact CD2-CE 3.8Å; Y367-M378 HydrophobicContact CE1-CE 4.03Å; Y367-M378 HydrophobicContact CE2-CE 3.22Å; Y367-M378 HydrophobicContact CG-CE 4.42Å; Y367-M378 WeakPolarHBondContact O-CB 3.3Å; Y367-S409 WeakPolarHBondContact CE1-OG 3.48Å; Y367-S409 PolarHBondContact OH-O 2.84Å; Y367-S409 PolarHBondContact OH-OG 3.48Å; Y367-Q410 HydrophobicContact CD1-CG 4.08Å; Y367-Q410 HydrophobicContact CD2-CG 3.56Å; Y367-Q410 HydrophobicContact CE1-CG 3.95Å; Y367-Q410 HydrophobicContact CE2-CB 4.36Å; Y367-Q410 HydrophobicContact CE2-CG 3.41Å; Y367-Q410 VanDerWaalsContact CE2-CG 3.41Å; Y367-Q410 HydrophobicContact CG-CG 3.89Å | ||
| 368 | F | 98.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 130.5 | 175.3 | -174 | -112.1 | 0 | 0 | 0 | 110.4 | L142 Q143 A146 A250 S251 V370 V376 M378 | L142-F368 HydrophobicContact CB-CD1 4.31Å; L142-F368 HydrophobicContact CB-CE1 4.47Å; L142-F368 HydrophobicContact CD2-CD1 3.96Å; L142-F368 HydrophobicContact CD2-CE1 4.01Å; L142-F368 HydrophobicContact CG-CD1 3.96Å; L142-F368 HydrophobicContact CG-CE1 3.77Å; Q143-F368 HydrophobicContact CB-CB 3.97Å; Q143-F368 HydrophobicContact CB-CD1 4.17Å; Q143-F368 HydrophobicContact CB-CD2 3.63Å; Q143-F368 HydrophobicContact CB-CE2 4.17Å; Q143-F368 HydrophobicContact CB-CG 3.64Å; Q143-F368 HydrophobicContact CG-CB 4.46Å; Q143-F368 HydrophobicContact CG-CD2 3.55Å; Q143-F368 HydrophobicContact CG-CE2 4.02Å; Q143-F368 HydrophobicContact CG-CG 4.08Å; A146-F368 HydrophobicContact CB-CE1 4.01Å; A146-F368 HydrophobicContact CB-CE2 4.01Å; A146-F368 HydrophobicContact CB-CZ 3.27Å; A250-F368 CarbonylContact C-O 3.57Å; A250-F368 WeakPolarHBondContact CA-O 3.34Å; A250-F368 WeakPolarHBondContact CB-O 3.37Å; S251-F368 PolarHBondContact N-O 3.03Å; S251-F368 WeakPolarHBondContact O-CB 3.25Å; S251-F368 PolarHBondContact O-N 3.41Å; F368-V370 HydrophobicContact CD1-CG2 4.21Å; F368-V370 HydrophobicContact CE1-CG2 3.25Å; F368-V370 HydrophobicContact CE2-CG2 4.26Å; F368-V370 HydrophobicContact CZ-CG2 3.27Å; F368-V376 HydrophobicContact CD2-CG1 4.44Å; F368-V376 HydrophobicContact CE2-CG1 3.73Å; F368-V376 HydrophobicContact CE2-CG2 4.04Å; F368-V376 HydrophobicContact CZ-CG1 4.44Å; F368-V376 HydrophobicContact CZ-CG2 4.06Å; F368-M378 CarbonylContact C-O 3.6Å; F368-M378 WeakPolarHBondContact CA-O 3.45Å; F368-M378 WeakPolarHBondContact CD2-O 3.3Å |
| 369 | L | 97.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 132.3 | 177.4 | 179.9 | 67.4 | 0 | 0 | 0 | 110.9 | K249 A250 Y367 L377 M378 K413 M414 | K249-L369 WeakPolarHBondContact O-CA 3.43Å; A250-L369 HydrophobicContact CB-CD1 3.9Å; Y367-L369 HydrophobicContact CD2-CB 4.23Å; Y367-L369 HydrophobicContact CE2-CB 4Å; Y367-L369 HydrophobicContact CE2-CD1 4.5Å; Y367-L369 HydrophobicContact CE2-CD2 4.41Å; L369-L377 HydrophobicContact CB-CB 4.45Å; L369-L377 HydrophobicContact CD2-CB 4.18Å; L369-L377 HydrophobicContact CD2-CD1 3.89Å; L369-L377 HydrophobicContact CG-CB 4.24Å; L369-L377 HydrophobicContact CG-CD1 4.21Å; L369-L377 PolarHBondContact O-N 3.36Å; L369-M378 HydrophobicContact CB-CB 4.16Å; L369-M378 HydrophobicContact CB-CE 3.78Å; L369-M378 HydrophobicContact CD2-CE 3.73Å; L369-M378 HydrophobicContact CG-CE 4.41Å; L369-M378 PolarHBondContact N-O 3.38Å; L369-M378 PolarHBondContact O-N 2.88Å; L369-K413 HydrophobicContact CD2-CG 3.86Å; L369-M414 HydrophobicContact CD1-CE 3.78Å |
| 370 | V | 96.5 | Very high | 95.5 | Very high | 15 Ų | 15 | 53 Ų | 53 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 138.3 | 174 | -172.8 | 0 | 0 | 0 | 0 | 108.8 | Y248 K249 F368 G374 K375 V376 | Y248-V370 WeakPolarHBondContact CA-O 3.4Å; K249-V370 HydrophobicContact CB-CB 4.48Å; K249-V370 PolarHBondContact N-O 2.81Å; K249-V370 VanDerWaalsContact N-O 3.14Å; K249-V370 PolarHBondContact O-N 3.45Å; F368-V370 HydrophobicContact CD1-CG2 4.21Å; F368-V370 HydrophobicContact CE1-CG2 3.25Å; F368-V370 HydrophobicContact CE2-CG2 4.26Å; F368-V370 HydrophobicContact CZ-CG2 3.27Å; V370-G374 VanDerWaalsContact CG1-CA 3.46Å; V370-K375 WeakPolarHBondContact CA-O 3.37Å; V370-V376 HydrophobicContact CG2-CG2 4.45Å |
| 371 | D | 93.8 | Very high | 95.6 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 10% | 0.102 | 27% | 0.273 | C | S | . | . | trans | -76 | -178.2 | 174 | 65.7 | 17.5 | 0 | 0 | 0 | 113.1 | Y248 E373 G374 K375 L377 | Y248-D371 HydrophobicContact CD1-CB 4.38Å; Y248-D371 HydrophobicContact CE1-CB 3.9Å; D371-E373 PolarHBondContact O-N 3.14Å; D371-E373 PolarHBondContact OD1-N 3.29Å; D371-E373 VanDerWaalsContact OD1-N 3.12Å; D371-G374 PolarHBondContact O-N 3.27Å; D371-G374 PolarHBondContact OD1-N 2.97Å; D371-K375 PolarHBondContact N-O 3.35Å; D371-K375 PolarHBondContact OD1-N 3.31Å; D371-K375 WeakPolarHBondContact OD2-CB 3.17Å; D371-L377 HydrophobicContact CB-CD1 3.93Å; D371-L377 HydrophobicContact CB-CD2 4.34Å; D371-L377 HydrophobicContact CB-CG 4.09Å | ||
| 372 | A | 91.3 | Very high | 95.6 | Very high | 32 Ų | 32 | 50 Ų | 50 | 26% | 0.264 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -24.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N247 Y248 G374 | N247-A372 HydrophobicContact CB-CB 4.03Å; Y248-A372 HydrophobicContact CD2-CB 4.16Å; Y248-A372 HydrophobicContact CE2-CB 3.86Å; A372-G374 VanDerWaalsContact C-N 3.33Å |
| 373 | E | 90.1 | Very high | 95.7 | Very high | 155 Ų | 155 | 49.7 Ų | 49.7 | 72% | 0.724 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -5.1 | 179.3 | -63.8 | 71 | -153.6 | 0 | 0 | 112.8 | D371 | D371-E373 PolarHBondContact O-N 3.14Å; D371-E373 PolarHBondContact OD1-N 3.29Å; D371-E373 VanDerWaalsContact OD1-N 3.12Å |
| 374 | G | 88.7 | Confident | 95.8 | Very high | 53 Ų | 53 | 44.9 Ų | 44.9 | 55% | 0.546 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 88.8 | 8.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | V370 D371 A372 | V370-G374 VanDerWaalsContact CG1-CA 3.46Å; D371-G374 PolarHBondContact O-N 3.27Å; D371-G374 PolarHBondContact OD1-N 2.97Å; A372-G374 VanDerWaalsContact C-N 3.33Å |
| 375 | K | 93.3 | Very high | 95.8 | Very high | 141 Ų | 141 | 39.5 Ų | 39.5 | 61% | 0.613 | 22% | 0.217 | S | C | * | . | trans | -83.3 | 131.6 | 177 | 177.2 | -174.7 | 177.9 | -176.8 | 0 | 110.5 | V370 D371 L377 | V370-K375 WeakPolarHBondContact CA-O 3.37Å; D371-K375 PolarHBondContact N-O 3.35Å; D371-K375 PolarHBondContact OD1-N 3.31Å; D371-K375 WeakPolarHBondContact OD2-CB 3.17Å; K375-L377 PolarHBondContact O-N 2.93Å | ||
| 376 | V | 95.8 | Very high | 95.6 | Very high | 53 Ų | 53 | 39.2 Ų | 39.2 | 32% | 0.321 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 118.8 | 174.7 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | F368 V370 | F368-V376 HydrophobicContact CD2-CG1 4.44Å; F368-V376 HydrophobicContact CE2-CG1 3.73Å; F368-V376 HydrophobicContact CE2-CG2 4.04Å; F368-V376 HydrophobicContact CZ-CG1 4.44Å; F368-V376 HydrophobicContact CZ-CG2 4.06Å; V370-V376 HydrophobicContact CG2-CG2 4.45Å |
| 377 | L | 95.6 | Very high | 95.2 | Very high | 80 Ų | 80 | 38.3 Ų | 38.3 | 42% | 0.419 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -36.3 | 177 | -63.4 | -173.9 | 0 | 0 | 0 | 112.2 | L369 D371 K375 | L369-L377 HydrophobicContact CB-CB 4.45Å; L369-L377 HydrophobicContact CD2-CB 4.18Å; L369-L377 HydrophobicContact CD2-CD1 3.89Å; L369-L377 HydrophobicContact CG-CB 4.24Å; L369-L377 HydrophobicContact CG-CD1 4.21Å; L369-L377 PolarHBondContact O-N 3.36Å; D371-L377 HydrophobicContact CB-CD1 3.93Å; D371-L377 HydrophobicContact CB-CD2 4.34Å; D371-L377 HydrophobicContact CB-CG 4.09Å; K375-L377 PolarHBondContact O-N 2.93Å |
| 378 | M | 96.6 | Very high | 94.3 | Very high | 61 Ų | 61 | 37.8 Ų | 37.8 | 30% | 0.3 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 142.1 | -179.3 | -59.7 | -172.7 | -52.9 | 0 | 0 | 110.2 | Y367 F368 L369 | Y367-M378 HydrophobicContact CD2-CE 3.8Å; Y367-M378 HydrophobicContact CE1-CE 4.03Å; Y367-M378 HydrophobicContact CE2-CE 3.22Å; Y367-M378 HydrophobicContact CG-CE 4.42Å; Y367-M378 WeakPolarHBondContact O-CB 3.3Å; F368-M378 CarbonylContact C-O 3.6Å; F368-M378 WeakPolarHBondContact CA-O 3.45Å; F368-M378 WeakPolarHBondContact CD2-O 3.3Å; L369-M378 HydrophobicContact CB-CB 4.16Å; L369-M378 HydrophobicContact CB-CE 3.78Å; L369-M378 HydrophobicContact CD2-CE 3.73Å; L369-M378 HydrophobicContact CG-CE 4.41Å; L369-M378 PolarHBondContact N-O 3.38Å; L369-M378 PolarHBondContact O-N 2.88Å |
| 379 | N | 97.4 | Very high | 93.3 | Very high | 56 Ų | 56 | 38 Ų | 38 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | trans | -106.1 | 147.9 | 167.4 | -75.1 | -48.8 | 0 | 0 | 0 | 109.6 | ||||
| 380 | Q | 98.1 | Very high | 91.8 | Very high | 9 Ų | 9 | 38.9 Ų | 38.9 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | trans | -79.7 | 118.5 | 166.2 | -169.8 | 175.9 | -27.1 | 0 | 0 | 109.1 | Q143 V253 F365 G382 | Q143-Q380 PolarHBondContact NE2-O 3.08Å; Q143-Q380 VanDerWaalsContact OE1-CB 3.26Å; V253-Q380 PolarHBondContact O-NE2 3.08Å; F365-Q380 WeakPolarHBondContact O-CA 3.3Å; Q380-G382 WeakPolarHBondContact CG-O 3.2Å; Q380-G382 PolarHBondContact NE2-O 2.83Å | ||
| 381 | E | 97.5 | Very high | 90.4 | Very high | 111 Ų | 111 | 38.8 Ų | 38.8 | 52% | 0.519 | 21% | 0.21 | S | C | . | . | trans | -97.8 | -1.7 | -172.4 | -64.8 | -63.9 | 152.5 | 0 | 0 | 113.5 | G299 K300 F365 | G299-E381 WeakPolarHBondContact CA-O 3.48Å; K300-E381 PolarHBondContact N-O 3.34Å; F365-E381 PolarHBondContact O-N 3.27Å | ||
| 382 | G | 97.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.1 | 165 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y298 K300 F365 Q380 | Y298-G382 CarbonylContact O-C 3.57Å; Y298-G382 VanDerWaalsContact O-CA 3.27Å; Y298-G382 WeakPolarHBondContact O-CA 3.44Å; K300-G382 CarbonylContact O-C 3.57Å; K300-G382 WeakPolarHBondContact O-CA 3.44Å; F365-G382 WeakPolarHBondContact CD2-O 3.42Å; Q380-G382 WeakPolarHBondContact CG-O 3.2Å; Q380-G382 PolarHBondContact NE2-O 2.83Å |
| 383 | T | 97.8 | Very high | 88.6 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 148.6 | 179.9 | 56 | 0 | 0 | 0 | 0 | 113.4 | V253 Y298 K300 Q301 V302 | V253-T383 HydrophobicContact CG1-CG2 4.44Å; Y298-T383 WeakPolarHBondContact CB-OG1 3.43Å; Y298-T383 HydrophobicContact CD1-CG2 4.06Å; Y298-T383 HydrophobicContact CG-CG2 4.11Å; K300-T383 PolarHBondContact O-N 3.01Å; Q301-T383 PolarHBondContact NE2-OG1 3.44Å; Q301-T383 PolarHBondContact OE1-OG1 3.43Å; Q301-T383 VanDerWaalsContact OE1-OG1 3.09Å; V302-T383 PolarHBondContact N-O 3.06Å |
| 384 | F | 97.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 117 | 167.5 | -64.5 | -85.2 | 0 | 0 | 0 | 110 | F252 T255 V302 L304 V358 I361 Q362 F365 L402 | F252-F384 HydrophobicContact CZ-CD2 4.45Å; T255-F384 PolarHBondContact N-O 3.48Å; T255-F384 VanDerWaalsContact N-O 3.13Å; V302-F384 HydrophobicContact CB-CD1 3.65Å; V302-F384 HydrophobicContact CB-CE1 3.81Å; V302-F384 HydrophobicContact CG1-CD1 3.68Å; V302-F384 HydrophobicContact CG1-CE1 3.75Å; V302-F384 HydrophobicContact CG2-CD1 4.39Å; V302-F384 HydrophobicContact CG2-CE1 4.09Å; V302-F384 CarbonylContact O-C 3.55Å; V302-F384 WeakPolarHBondContact O-CA 3.24Å; L304-F384 HydrophobicContact CD1-CB 4.28Å; L304-F384 HydrophobicContact CD1-CD1 3.95Å; L304-F384 HydrophobicContact CD1-CG 4.46Å; L304-F384 HydrophobicContact CD2-CD1 4.41Å; L304-F384 HydrophobicContact CG-CD1 4.21Å; V358-F384 HydrophobicContact CB-CE1 3.87Å; V358-F384 HydrophobicContact CB-CZ 4.32Å; V358-F384 HydrophobicContact CG1-CE1 4.35Å; V358-F384 HydrophobicContact CG2-CE1 4.13Å; V358-F384 HydrophobicContact CG2-CZ 4.46Å; I361-F384 HydrophobicContact CB-CZ 4.48Å; I361-F384 HydrophobicContact CG2-CZ 4.45Å; Q362-F384 HydrophobicContact CB-CE2 3.78Å; Q362-F384 HydrophobicContact CB-CZ 3.76Å; Q362-F384 HydrophobicContact CG-CE2 3.92Å; Q362-F384 HydrophobicContact CG-CZ 4.4Å; F365-F384 HydrophobicContact CD2-CD2 4.4Å; F365-F384 AromaticContact CD2-CE2 3.93Å; F365-F384 HydrophobicContact CD2-CE2 3.93Å; F365-F384 HydrophobicContact CD2-CZ 4.24Å; F365-F384 HydrophobicContact CE2-CE2 4.5Å; F384-L402 HydrophobicContact CB-CD1 3.83Å; F384-L402 HydrophobicContact CD1-CD1 4.31Å; F384-L402 HydrophobicContact CD2-CD1 4.26Å; F384-L402 HydrophobicContact CG-CD1 3.87Å |
| 385 | R | 96.3 | Very high | 88 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 106.3 | 173.6 | -174.9 | 175.4 | 179.8 | -81.9 | 1.3 | 109.3 | T255 S258 H290 V302 I303 L304 N387 | T255-R385 WeakPolarHBondContact O-CA 3.17Å; T255-R385 WeakPolarHBondContact OG1-CB 3.41Å; S258-R385 PolarHBondContact O-NH2 2.77Å; H290-R385 VanDerWaalsContact NE2-CZ 3.35Å; H290-R385 PolarHBondContact NE2-NE 3.29Å; H290-R385 VanDerWaalsContact NE2-NE 3.12Å; H290-R385 PolarHBondContact NE2-NH2 3.07Å; H290-R385 VanDerWaalsContact NE2-NH2 3.12Å; V302-R385 PolarHBondContact O-N 3.01Å; I303-R385 WeakPolarHBondContact CA-O 3.49Å; L304-R385 PolarHBondContact N-O 3.04Å; R385-N387 PolarHBondContact NH1-ND2 2.9Å; R385-N387 PolarHBondContact NH1-OD1 3.45Å |
| 386 | S | 93.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 125.5 | -178.9 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | T255 R256 | T255-S386 PolarHBondContact O-N 3.06Å; R256-S386 WeakPolarHBondContact CA-O 3.39Å; R256-S386 WeakPolarHBondContact CB-O 3.36Å |
| 387 | N | 88.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 147 | 177 | -60.1 | 106.8 | 0 | 0 | 0 | 112 | G257 S258 I259 I303 L304 L306 F320 R385 | G257-N387 PolarHBondContact O-ND2 3.32Å; S258-N387 PolarHBondContact O-ND2 3.43Å; I259-N387 HydrophobicContact CG1-CB 4.49Å; I303-N387 WeakPolarHBondContact CG2-OD1 3.22Å; L304-N387 PolarHBondContact O-N 3.25Å; L306-N387 WeakPolarHBondContact CB-O 3.28Å; L306-N387 WeakPolarHBondContact CG-O 3.37Å; L306-N387 PolarHBondContact N-O 3.28Å; F320-N387 HydrophobicContact CE1-CB 4.46Å; R385-N387 PolarHBondContact NH1-ND2 2.9Å; R385-N387 PolarHBondContact NH1-OD1 3.45Å |
| 388 | C | 78.4 | Confident | 87.2 | Confident | 3 Ų | 3 | 17.7 Ų | 17.7 | 2% | 0.02 | 9% | 0.09 | C | C | . | . | trans | -151.7 | 169 | 174 | 164.3 | 0 | 0 | 0 | 0 | 106.7 | L306 D390 C391 R394 T395 | L306-C388 HydrophobicContact CB-CB 4.49Å; C388-D390 PolarHBondContact O-N 3.44Å; C388-C391 PolarHBondContact N-SG 3.17Å; C388-C391 PolarHBondContact O-SG 3.01Å; C388-R394 HydrophobicContact CB-CB 4.44Å; C388-R394 PolarHBondContact SG-NE 3.06Å; C388-R394 PolarHBondContact SG-NH2 2.87Å; C388-T395 HydrophobicContact CB-CG2 3.61Å | ||
| 389 | M | 77.2 | Confident | 87 | Confident | 4 Ų | 4 | 14.8 Ų | 14.8 | 2% | 0.02 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -50.7 | -48.1 | 172.8 | -164.7 | 68.9 | -171.5 | 0 | 0 | 111 | R225 W263 Q265 P275 E313 L316 | R225-M389 PolarHBondContact NH1-O 2.8Å; W263-M389 HydrophobicContact CE3-CE 4.43Å; W263-M389 HydrophobicContact CH2-CE 3.54Å; W263-M389 HydrophobicContact CH2-SD 3.99Å; W263-M389 HydrophobicContact CZ3-CE 3.33Å; W263-M389 HydrophobicContact CZ3-SD 4.29Å; Q265-M389 VanDerWaalsContact CD-CE 3.42Å; Q265-M389 HydrophobicContact CG-CE 4.36Å; P275-M389 HydrophobicContact CB-CE 3.92Å; P275-M389 HydrophobicContact CG-CE 4.15Å; E313-M389 HydrophobicContact CG-SD 4.04Å; L316-M389 HydrophobicContact CD1-CE 3.99Å; L316-M389 HydrophobicContact CD1-SD 3.74Å |
| 390 | D | 65 | Low | 86.9 | Confident | 22 Ų | 22 | 12.8 Ų | 12.8 | 12% | 0.118 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -111 | -6.2 | -176.7 | -61.9 | -54.2 | 0 | 0 | 0 | 114.3 | R221 R225 C388 L392 Y448 | R221-D390 IonicContact CZ-OD1 3.92Å; R221-D390 IonicContact CZ-OD2 2.65Å; R221-D390 IonicContact NE-OD1 3.72Å; R221-D390 PolarHBondContact NE-OD1 3.3Å; R221-D390 IonicContact NE-OD2 3.1Å; R221-D390 PolarHBondContact NE-OD2 2.94Å; R221-D390 IonicContact NH2-OD1 3.56Å; R221-D390 IonicContact NH2-OD2 2.72Å; R221-D390 PolarHBondContact NH2-OD2 3.47Å; R225-D390 IonicContact CZ-OD1 3.13Å; R225-D390 IonicContact NH1-OD1 2.84Å; R225-D390 PolarHBondContact NH1-OD1 2.94Å; R225-D390 IonicContact NH2-OD1 3.84Å; R225-D390 PolarHBondContact NH2-OD1 3.35Å; C388-D390 PolarHBondContact O-N 3.44Å; D390-L392 HydrophobicContact CB-CG 4.47Å; D390-L392 WeakPolarHBondContact O-CG 3.15Å; D390-L392 PolarHBondContact O-N 2.92Å; D390-Y448 HydrophobicContact CB-CE1 4.26Å; D390-Y448 VanDerWaalsContact O-CE1 3.23Å; D390-Y448 WeakPolarHBondContact O-CE1 3.42Å |
| 391 | C | 68.3 | Low | 86.7 | Confident | 13 Ų | 13 | 14 Ų | 14 | 9% | 0.088 | 7% | 0.072 | C | C | . | . | S | Bend | trans | 50.8 | 24.7 | -177.9 | -62.2 | 0 | 0 | 0 | 0 | 116.1 | G257 C388 T395 | G257-C391 PolarHBondContact O-SG 3.18Å; C388-C391 PolarHBondContact N-SG 3.17Å; C388-C391 PolarHBondContact O-SG 3.01Å; C391-T395 WeakPolarHBondContact CA-OG1 3.36Å; C391-T395 HydrophobicContact CB-CG2 4.38Å; C391-T395 PolarHBondContact O-OG1 3.46Å |
| 392 | L | 72.6 | Confident | 86.6 | Confident | 9 Ų | 9 | 8.8 Ų | 8.8 | 5% | 0.047 | 5% | 0.048 | C | C | . | . | S | Bend | trans | -100.7 | -86.3 | 176.2 | -64.5 | -177.3 | 0 | 0 | 0 | 112.4 | D390 T395 N396 C444 A445 Y448 A449 | D390-L392 HydrophobicContact CB-CG 4.47Å; D390-L392 WeakPolarHBondContact O-CG 3.15Å; D390-L392 PolarHBondContact O-N 2.92Å; L392-T395 PolarHBondContact N-OG1 3.11Å; L392-T395 PolarHBondContact O-OG1 3.2Å; L392-T395 VanDerWaalsContact O-OG1 3.09Å; L392-N396 WeakPolarHBondContact O-CB 3.23Å; L392-N396 PolarHBondContact O-N 2.89Å; L392-C444 HydrophobicContact CD2-CB 4.39Å; L392-A445 HydrophobicContact CD1-CB 3.87Å; L392-A445 HydrophobicContact CD2-CB 4.15Å; L392-A445 HydrophobicContact CG-CB 4.47Å; L392-Y448 HydrophobicContact CD1-CD1 3.81Å; L392-Y448 HydrophobicContact CD2-CD1 3.87Å; L392-Y448 HydrophobicContact CD2-CG 4.44Å; L392-Y448 HydrophobicContact CG-CD1 3.78Å; L392-Y448 HydrophobicContact CG-CE1 4.47Å; L392-A449 HydrophobicContact CD1-CB 4.04Å |
| 393 | D | 74.8 | Confident | 86.6 | Confident | 39 Ų | 39 | 8.8 Ų | 8.8 | 21% | 0.209 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -74.1 | -47.4 | -162.5 | -47.5 | -47 | 0 | 0 | 0 | 112.7 | V397 L454 | D393-V397 WeakPolarHBondContact O-CG2 3.15Å; D393-L454 PolarHBondContact OD1-N 2.89Å |
| 394 | R | 82.1 | Confident | 86.5 | Confident | 23 Ų | 23 | 10.2 Ų | 10.2 | 9% | 0.087 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -68.4 | -39.8 | -177.4 | -67.5 | -179.1 | -89.7 | 179 | -4.3 | 112.5 | L306 E313 F339 H340 C388 I398 | L306-R394 HydrophobicContact CB-CB 4.41Å; L306-R394 HydrophobicContact CD1-CB 3.99Å; L306-R394 WeakPolarHBondContact CD1-O 3.31Å; L306-R394 PolarHBondContact O-NH1 2.78Å; E313-R394 IonicContact OE2-NH1 3.91Å; E313-R394 PolarHBondContact OE2-NH1 3.42Å; E313-R394 IonicContact OE2-NH2 3.6Å; F339-R394 HydrophobicContact CB-CG 4.44Å; F339-R394 HydrophobicContact CD1-CB 4.44Å; F339-R394 HydrophobicContact CD1-CG 3.64Å; F339-R394 HydrophobicContact CD2-CB 4.25Å; F339-R394 HydrophobicContact CD2-CG 4.31Å; F339-R394 HydrophobicContact CE1-CB 4.49Å; F339-R394 HydrophobicContact CE1-CG 3.8Å; F339-R394 HydrophobicContact CE2-CB 4.28Å; F339-R394 HydrophobicContact CE2-CG 4.43Å; F339-R394 HydrophobicContact CG-CB 4.3Å; F339-R394 HydrophobicContact CG-CG 3.89Å; F339-R394 HydrophobicContact CZ-CB 4.37Å; F339-R394 HydrophobicContact CZ-CG 4.16Å; H340-R394 PolarHBondContact CE1-NH1 3.41Å; H340-R394 PolarHBondContact ND1-NH1 2.97Å; C388-R394 HydrophobicContact CB-CB 4.44Å; C388-R394 PolarHBondContact SG-NE 3.06Å; C388-R394 PolarHBondContact SG-NH2 2.87Å; R394-I398 PolarHBondContact O-N 2.8Å |
| 395 | T | 84.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -71.2 | -39.2 | -178.2 | 42.1 | 0 | 0 | 0 | 0 | 111.4 | L306 C388 C391 L392 V397 I398 Q399 | L306-T395 HydrophobicContact CD1-CG2 4.15Å; C388-T395 HydrophobicContact CB-CG2 3.61Å; C391-T395 WeakPolarHBondContact CA-OG1 3.36Å; C391-T395 HydrophobicContact CB-CG2 4.38Å; C391-T395 PolarHBondContact O-OG1 3.46Å; L392-T395 PolarHBondContact N-OG1 3.11Å; L392-T395 PolarHBondContact O-OG1 3.2Å; L392-T395 VanDerWaalsContact O-OG1 3.09Å; T395-V397 VanDerWaalsContact C-N 3.29Å; T395-V397 PolarHBondContact O-N 3.47Å; T395-I398 PolarHBondContact O-N 3.19Å; T395-Q399 WeakPolarHBondContact O-CB 3.34Å; T395-Q399 WeakPolarHBondContact O-CG 3.29Å; T395-Q399 PolarHBondContact O-N 3.23Å |
| 396 | N | 89.8 | Confident | 86.3 | Confident | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.011 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.7 | -39.1 | 176.9 | -169.1 | 80.4 | 0 | 0 | 0 | 112.3 | L392 S400 W437 N440 A441 | L392-N396 WeakPolarHBondContact O-CB 3.23Å; L392-N396 PolarHBondContact O-N 2.89Å; N396-S400 WeakPolarHBondContact O-CB 3.42Å; N396-S400 PolarHBondContact O-N 3.14Å; N396-S400 PolarHBondContact O-OG 3.28Å; N396-W437 PolarHBondContact ND2-O 3.4Å; N396-N440 PolarHBondContact OD1-ND2 3.39Å; N396-A441 HydrophobicContact CB-CB 4.1Å; N396-A441 WeakPolarHBondContact ND2-CB 3.37Å |
| 397 | V | 86 | Confident | 86.5 | Confident | 17 Ų | 17 | 15 Ų | 15 | 10% | 0.103 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.1 | -44.4 | 176.8 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | L351 D393 T395 S400 L401 | L351-V397 HydrophobicContact CD1-CG1 3.63Å; D393-V397 WeakPolarHBondContact O-CG2 3.15Å; T395-V397 VanDerWaalsContact C-N 3.29Å; T395-V397 PolarHBondContact O-N 3.47Å; V397-S400 PolarHBondContact O-OG 3.16Å; V397-L401 HydrophobicContact CG1-CD1 4.22Å; V397-L401 VanDerWaalsContact O-CG 3.3Å; V397-L401 WeakPolarHBondContact O-CG 3.14Å; V397-L401 PolarHBondContact O-N 3.2Å |
| 398 | I | 90.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.7 | -44.8 | 178.1 | -64.6 | -53.7 | 0 | 0 | 0 | 111.3 | L304 L306 F339 L351 L354 R394 T395 S400 L401 L402 | L304-I398 HydrophobicContact CD1-CG2 3.74Å; L306-I398 HydrophobicContact CD1-CB 4.23Å; L306-I398 HydrophobicContact CD1-CG1 3.54Å; L306-I398 HydrophobicContact CD2-CG1 3.99Å; L306-I398 HydrophobicContact CG-CG1 4.42Å; F339-I398 HydrophobicContact CE2-CD1 4.49Å; L351-I398 HydrophobicContact CD2-CD1 3.76Å; L354-I398 HydrophobicContact CD2-CD1 3.84Å; L354-I398 HydrophobicContact CD2-CG1 4.41Å; R394-I398 PolarHBondContact O-N 2.8Å; T395-I398 PolarHBondContact O-N 3.19Å; I398-S400 VanDerWaalsContact C-N 3.3Å; I398-S400 PolarHBondContact O-N 3.01Å; I398-L401 PolarHBondContact O-N 2.64Å; I398-L401 VanDerWaalsContact O-N 3.15Å; I398-L402 HydrophobicContact CG2-CD1 3.87Å; I398-L402 HydrophobicContact CG2-CG 4.37Å; I398-L402 WeakPolarHBondContact O-CG 3.17Å; I398-L402 PolarHBondContact O-N 3.2Å |
| 399 | Q | 94.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.6 | -39.7 | 178.7 | -74.2 | -174.7 | -40.1 | 0 | 0 | 112 | Q254 T255 T395 L401 A403 W437 | Q254-Q399 PolarHBondContact NE2-O 3.25Å; T255-Q399 PolarHBondContact O-NE2 2.85Å; T395-Q399 WeakPolarHBondContact O-CB 3.34Å; T395-Q399 WeakPolarHBondContact O-CG 3.29Å; T395-Q399 PolarHBondContact O-N 3.23Å; Q399-L401 VanDerWaalsContact C-N 3.32Å; Q399-L401 PolarHBondContact O-N 3.08Å; Q399-A403 WeakPolarHBondContact O-CB 3.07Å; Q399-A403 PolarHBondContact O-N 2.8Å; Q399-W437 HydrophobicContact CB-CH2 4.01Å; Q399-W437 HydrophobicContact CB-CZ3 3.87Å |
| 400 | S | 94.4 | Very high | 88.5 | Confident | 13 Ų | 13 | 19.6 Ų | 19.6 | 9% | 0.091 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.5 | -30.1 | 177.6 | 76 | 0 | 0 | 0 | 0 | 112.9 | N396 V397 I398 R404 Y433 | N396-S400 WeakPolarHBondContact O-CB 3.42Å; N396-S400 PolarHBondContact O-N 3.14Å; N396-S400 PolarHBondContact O-OG 3.28Å; V397-S400 PolarHBondContact O-OG 3.16Å; I398-S400 VanDerWaalsContact C-N 3.3Å; I398-S400 PolarHBondContact O-N 3.01Å; S400-R404 WeakPolarHBondContact O-CB 3.31Å; S400-R404 PolarHBondContact O-N 3.01Å; S400-Y433 PolarHBondContact O-OH 2.96Å |
| 401 | L | 93 | Very high | 90 | Very high | 35 Ų | 35 | 18.6 Ų | 18.6 | 18% | 0.183 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -75.2 | -44 | 175.7 | -69.6 | 168.9 | 0 | 0 | 0 | 112 | L351 L355 V397 I398 Q399 A403 R404 R405 | L351-L401 HydrophobicContact CB-CD1 3.99Å; L351-L401 HydrophobicContact CD1-CD1 3.77Å; L351-L401 HydrophobicContact CG-CD1 4.49Å; L355-L401 HydrophobicContact CD1-CB 3.81Å; L355-L401 HydrophobicContact CD1-CD1 4.14Å; L355-L401 HydrophobicContact CD1-CD2 4.38Å; L355-L401 HydrophobicContact CD1-CG 4.32Å; L355-L401 HydrophobicContact CD2-CB 3.86Å; L355-L401 HydrophobicContact CG-CB 4.4Å; V397-L401 HydrophobicContact CG1-CD1 4.22Å; V397-L401 VanDerWaalsContact O-CG 3.3Å; V397-L401 WeakPolarHBondContact O-CG 3.14Å; V397-L401 PolarHBondContact O-N 3.2Å; I398-L401 PolarHBondContact O-N 2.64Å; I398-L401 VanDerWaalsContact O-N 3.15Å; Q399-L401 VanDerWaalsContact C-N 3.32Å; Q399-L401 PolarHBondContact O-N 3.08Å; L401-A403 VanDerWaalsContact C-N 3.35Å; L401-R404 WeakPolarHBondContact O-CB 3.05Å; L401-R404 PolarHBondContact O-N 2.93Å; L401-R405 PolarHBondContact O-N 3.1Å; L401-R405 VanDerWaalsContact O-N 3.15Å |
| 402 | L | 95.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.3 | -44.2 | 174.8 | -68.8 | 170.2 | 0 | 0 | 0 | 111 | F252 Q254 L304 L355 V358 Q362 F384 I398 R404 R405 A406 | F252-L402 HydrophobicContact CE1-CB 4.38Å; Q254-L402 VanDerWaalsContact OE1-CD1 3.29Å; L304-L402 HydrophobicContact CD1-CD1 3.7Å; L355-L402 HydrophobicContact CD2-CD2 3.83Å; L355-L402 HydrophobicContact CD2-CG 4.17Å; V358-L402 HydrophobicContact CG2-CD2 3.91Å; Q362-L402 PolarHBondContact NE2-O 3.49Å; F384-L402 HydrophobicContact CB-CD1 3.83Å; F384-L402 HydrophobicContact CD1-CD1 4.31Å; F384-L402 HydrophobicContact CD2-CD1 4.26Å; F384-L402 HydrophobicContact CG-CD1 3.87Å; I398-L402 HydrophobicContact CG2-CD1 3.87Å; I398-L402 HydrophobicContact CG2-CG 4.37Å; I398-L402 WeakPolarHBondContact O-CG 3.17Å; I398-L402 PolarHBondContact O-N 3.2Å; L402-R404 VanDerWaalsContact C-N 3.3Å; L402-R404 PolarHBondContact O-N 2.82Å; L402-R405 PolarHBondContact O-N 3.05Å; L402-A406 PolarHBondContact O-N 3.27Å; L402-A406 VanDerWaalsContact O-N 3.11Å |
| 403 | A | 97 | Very high | 92.2 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.4 | -37.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q241 F252 Q399 L401 R405 A406 L407 W437 | Q241-A403 PolarHBondContact OE1-O 2.99Å; F252-A403 HydrophobicContact CD1-CB 4.31Å; F252-A403 HydrophobicContact CE1-CB 4.47Å; Q399-A403 WeakPolarHBondContact O-CB 3.07Å; Q399-A403 PolarHBondContact O-N 2.8Å; L401-A403 VanDerWaalsContact C-N 3.35Å; A403-R405 VanDerWaalsContact C-N 3.33Å; A403-R405 PolarHBondContact O-N 2.78Å; A403-A406 PolarHBondContact O-N 3.3Å; A403-L407 WeakPolarHBondContact O-CB 3.23Å; A403-L407 PolarHBondContact O-N 2.92Å; A403-W437 HydrophobicContact CB-CH2 4.13Å; A403-W437 HydrophobicContact CB-CZ2 3.4Å |
| 404 | R | 95.7 | Very high | 93.2 | Very high | 32 Ų | 32 | 25.9 Ų | 25.9 | 12% | 0.121 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.3 | -42.1 | 177.2 | -180 | 177.8 | -68.9 | 176.5 | -9.9 | 111.6 | S400 L401 L402 L407 Q408 I423 E424 E430 Y433 | S400-R404 WeakPolarHBondContact O-CB 3.31Å; S400-R404 PolarHBondContact O-N 3.01Å; L401-R404 WeakPolarHBondContact O-CB 3.05Å; L401-R404 PolarHBondContact O-N 2.93Å; L402-R404 VanDerWaalsContact C-N 3.3Å; L402-R404 PolarHBondContact O-N 2.82Å; R404-L407 PolarHBondContact O-N 2.8Å; R404-Q408 WeakPolarHBondContact O-CB 3.27Å; R404-Q408 PolarHBondContact O-N 2.77Å; R404-I423 HydrophobicContact CG-CD1 4.4Å; R404-E424 IonicContact NH1-OE1 2.68Å; R404-E424 PolarHBondContact NH1-OE1 3.02Å; R404-E430 IonicContact CZ-OE1 3.17Å; R404-E430 IonicContact CZ-OE2 3.28Å; R404-E430 IonicContact NE-OE2 2.63Å; R404-E430 IonicContact NH1-OE1 3.94Å; R404-E430 VanDerWaalsContact NH2-CD 3.31Å; R404-E430 IonicContact NH2-OE1 3.49Å; R404-E430 PolarHBondContact NH2-OE1 2.64Å; R404-E430 IonicContact NH2-OE2 3.63Å; R404-E430 PolarHBondContact NH2-OE2 2.95Å; R404-Y433 WeakPolarHBondContact CA-OH 3.39Å; R404-Y433 HydrophobicContact CB-CE1 4.19Å; R404-Y433 WeakPolarHBondContact CB-OH 3.49Å; R404-Y433 PolarHBondContact N-OH 3.3Å |
| 405 | R | 94.9 | Very high | 93.6 | Very high | 96 Ų | 96 | 26.3 Ų | 26.3 | 36% | 0.362 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 177.1 | -179.6 | 174.8 | 170.1 | 102.7 | 2.2 | 111.3 | D363 L401 L402 A403 Q408 S409 | D363-R405 IonicContact OD1-CZ 3.81Å; D363-R405 IonicContact OD1-NE 3.19Å; D363-R405 PolarHBondContact OD1-NE 3.3Å; D363-R405 IonicContact OD1-NH2 3.18Å; D363-R405 PolarHBondContact OD1-NH2 3.25Å; D363-R405 IonicContact OD2-NH2 3.29Å; D363-R405 PolarHBondContact OD2-NH2 2.78Å; L401-R405 PolarHBondContact O-N 3.1Å; L401-R405 VanDerWaalsContact O-N 3.15Å; L402-R405 PolarHBondContact O-N 3.05Å; A403-R405 VanDerWaalsContact C-N 3.33Å; A403-R405 PolarHBondContact O-N 2.78Å; R405-Q408 PolarHBondContact O-N 2.94Å; R405-S409 PolarHBondContact O-N 2.9Å |
| 406 | A | 96.7 | Very high | 94 | Very high | 5 Ų | 5 | 26.3 Ų | 26.3 | 4% | 0.041 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.5 | -47.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F252 L402 A403 Q408 S409 Q410 | F252-A406 HydrophobicContact CB-CB 3.98Å; F252-A406 HydrophobicContact CD1-CB 3.5Å; F252-A406 VanDerWaalsContact CD1-CB 3.5Å; F252-A406 HydrophobicContact CD2-CB 3.86Å; F252-A406 HydrophobicContact CE1-CB 3.79Å; F252-A406 HydrophobicContact CE2-CB 4.18Å; F252-A406 HydrophobicContact CG-CB 3.51Å; F252-A406 HydrophobicContact CZ-CB 4.15Å; L402-A406 PolarHBondContact O-N 3.27Å; L402-A406 VanDerWaalsContact O-N 3.11Å; A403-A406 PolarHBondContact O-N 3.3Å; A406-Q408 VanDerWaalsContact C-N 3.31Å; A406-Q408 PolarHBondContact O-N 3.35Å; A406-S409 WeakPolarHBondContact O-CB 3.14Å; A406-S409 PolarHBondContact O-N 2.9Å; A406-S409 VanDerWaalsContact O-N 3.13Å; A406-Q410 VanDerWaalsContact O-CG 3.32Å; A406-Q410 WeakPolarHBondContact O-CG 3.34Å; A406-Q410 PolarHBondContact O-N 2.86Å |
| 407 | L | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.7 | -42.7 | 176.4 | -177.3 | 58.6 | 0 | 0 | 0 | 112.3 | V243 A403 R404 S409 Q410 L411 I423 F429 Y433 | V243-L407 HydrophobicContact CG2-CD1 3.21Å; A403-L407 WeakPolarHBondContact O-CB 3.23Å; A403-L407 PolarHBondContact O-N 2.92Å; R404-L407 PolarHBondContact O-N 2.8Å; L407-S409 VanDerWaalsContact C-N 3.32Å; L407-S409 PolarHBondContact O-N 3.5Å; L407-Q410 PolarHBondContact O-N 2.86Å; L407-L411 HydrophobicContact CD1-CD1 4.15Å; L407-L411 HydrophobicContact CD1-CD2 4.29Å; L407-L411 HydrophobicContact CD1-CG 3.96Å; L407-L411 HydrophobicContact CG-CD1 4.01Å; L407-L411 HydrophobicContact CG-CG 4.24Å; L407-L411 WeakPolarHBondContact O-CB 3.38Å; L407-L411 VanDerWaalsContact O-CG 3.24Å; L407-L411 WeakPolarHBondContact O-CG 3.38Å; L407-L411 PolarHBondContact O-N 2.94Å; L407-I423 HydrophobicContact CB-CD1 3.99Å; L407-I423 HydrophobicContact CD2-CD1 3.86Å; L407-I423 HydrophobicContact CG-CD1 3.66Å; L407-F429 HydrophobicContact CD2-CE1 3.76Å; L407-F429 HydrophobicContact CD2-CZ 3.8Å; L407-Y433 HydrophobicContact CD2-CD2 3.77Å; L407-Y433 HydrophobicContact CD2-CE2 3.55Å |
| 408 | Q | 95.7 | Very high | 94.4 | Very high | 52 Ų | 52 | 30.7 Ų | 30.7 | 24% | 0.243 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 178.1 | -172.8 | 167.3 | -61.5 | 0 | 0 | 111.3 | R404 R405 A406 Q412 L417 I423 | R404-Q408 WeakPolarHBondContact O-CB 3.27Å; R404-Q408 PolarHBondContact O-N 2.77Å; R405-Q408 PolarHBondContact O-N 2.94Å; A406-Q408 VanDerWaalsContact C-N 3.31Å; A406-Q408 PolarHBondContact O-N 3.35Å; Q408-Q412 WeakPolarHBondContact O-CB 3.14Å; Q408-Q412 VanDerWaalsContact O-CG 3.24Å; Q408-Q412 WeakPolarHBondContact O-CG 3.37Å; Q408-Q412 PolarHBondContact O-N 2.89Å; Q408-L417 HydrophobicContact CG-CD2 3.84Å; Q408-I423 HydrophobicContact CB-CD1 3.84Å; Q408-I423 HydrophobicContact CB-CG1 4.32Å |
| 409 | S | 95.1 | Very high | 94.2 | Very high | 52 Ų | 52 | 38.7 Ų | 38.7 | 36% | 0.364 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.3 | -42.6 | 175.5 | -174.9 | 0 | 0 | 0 | 0 | 112 | Y367 R405 A406 L407 Q412 K413 | Y367-S409 WeakPolarHBondContact CE1-OG 3.48Å; Y367-S409 PolarHBondContact OH-O 2.84Å; Y367-S409 PolarHBondContact OH-OG 3.48Å; R405-S409 PolarHBondContact O-N 2.9Å; A406-S409 WeakPolarHBondContact O-CB 3.14Å; A406-S409 PolarHBondContact O-N 2.9Å; A406-S409 VanDerWaalsContact O-N 3.13Å; L407-S409 VanDerWaalsContact C-N 3.32Å; L407-S409 PolarHBondContact O-N 3.5Å; S409-Q412 PolarHBondContact O-N 2.85Å; S409-K413 WeakPolarHBondContact O-CB 3.49Å; S409-K413 PolarHBondContact O-N 3.31Å |
| 410 | Q | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.6 | -50.2 | 176.4 | -71.1 | 167.7 | -14.9 | 0 | 0 | 111.9 | A250 Y367 A406 L407 Q412 K413 M414 | A250-Q410 HydrophobicContact CB-CB 4.27Å; A250-Q410 HydrophobicContact CB-CG 3.74Å; Y367-Q410 HydrophobicContact CD1-CG 4.08Å; Y367-Q410 HydrophobicContact CD2-CG 3.56Å; Y367-Q410 HydrophobicContact CE1-CG 3.95Å; Y367-Q410 HydrophobicContact CE2-CB 4.36Å; Y367-Q410 HydrophobicContact CE2-CG 3.41Å; Y367-Q410 VanDerWaalsContact CE2-CG 3.41Å; Y367-Q410 HydrophobicContact CG-CG 3.89Å; A406-Q410 VanDerWaalsContact O-CG 3.32Å; A406-Q410 WeakPolarHBondContact O-CG 3.34Å; A406-Q410 PolarHBondContact O-N 2.86Å; L407-Q410 PolarHBondContact O-N 2.86Å; Q410-Q412 VanDerWaalsContact C-N 3.33Å; Q410-Q412 PolarHBondContact O-N 2.81Å; Q410-K413 PolarHBondContact O-N 2.86Å; Q410-M414 WeakPolarHBondContact O-CB 3.32Å; Q410-M414 WeakPolarHBondContact O-CG 3.34Å; Q410-M414 PolarHBondContact O-N 3.41Å |
| 411 | L | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.9 | -37.3 | 179.7 | -65.7 | 177.4 | 0 | 0 | 0 | 112 | I200 F205 V243 L407 G415 L416 L417 I423 F429 | I200-L411 HydrophobicContact CD1-CD1 4.02Å; F205-L411 HydrophobicContact CD2-CD2 4.09Å; F205-L411 HydrophobicContact CE2-CD2 3.86Å; F205-L411 HydrophobicContact CZ-CD2 4.18Å; V243-L411 HydrophobicContact CG1-CD2 4.04Å; L407-L411 HydrophobicContact CD1-CD1 4.15Å; L407-L411 HydrophobicContact CD1-CD2 4.29Å; L407-L411 HydrophobicContact CD1-CG 3.96Å; L407-L411 HydrophobicContact CG-CD1 4.01Å; L407-L411 HydrophobicContact CG-CG 4.24Å; L407-L411 WeakPolarHBondContact O-CB 3.38Å; L407-L411 VanDerWaalsContact O-CG 3.24Å; L407-L411 WeakPolarHBondContact O-CG 3.38Å; L407-L411 PolarHBondContact O-N 2.94Å; L411-G415 PolarHBondContact O-N 2.56Å; L411-L416 HydrophobicContact CB-CB 4.22Å; L411-L416 HydrophobicContact CD2-CB 4.12Å; L411-L416 HydrophobicContact CD2-CD1 3.4Å; L411-L416 VanDerWaalsContact CD2-CD1 3.4Å; L411-L416 HydrophobicContact CD2-CG 4.4Å; L411-L416 WeakPolarHBondContact O-CB 3.19Å; L411-L416 PolarHBondContact O-N 2.92Å; L411-L417 HydrophobicContact CB-CB 3.97Å; L411-L417 PolarHBondContact O-N 2.8Å; L411-L417 VanDerWaalsContact O-N 3.14Å; L411-I423 HydrophobicContact CD1-CD1 3.93Å; L411-I423 HydrophobicContact CD1-CG1 3.99Å; L411-F429 HydrophobicContact CD1-CE1 4.29Å |
| 412 | Q | 94.8 | Very high | 93.3 | Very high | 59 Ų | 59 | 47.3 Ų | 47.3 | 28% | 0.276 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -66.1 | -45 | 174.3 | -74.4 | 175.1 | -14.1 | 0 | 0 | 111.4 | Q408 S409 Q410 M414 G415 L417 | Q408-Q412 WeakPolarHBondContact O-CB 3.14Å; Q408-Q412 VanDerWaalsContact O-CG 3.24Å; Q408-Q412 WeakPolarHBondContact O-CG 3.37Å; Q408-Q412 PolarHBondContact O-N 2.89Å; S409-Q412 PolarHBondContact O-N 2.85Å; Q410-Q412 VanDerWaalsContact C-N 3.33Å; Q410-Q412 PolarHBondContact O-N 2.81Å; Q412-M414 VanDerWaalsContact C-N 3.31Å; Q412-M414 PolarHBondContact O-N 3.08Å; Q412-G415 PolarHBondContact O-N 2.94Å; Q412-L417 HydrophobicContact CG-CB 3.94Å; Q412-L417 HydrophobicContact CG-CD2 3.7Å; Q412-L417 HydrophobicContact CG-CG 4.3Å |
| 413 | K | 93 | Very high | 93 | Very high | 139 Ų | 139 | 47.2 Ų | 47.2 | 60% | 0.604 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -64.1 | -36 | 179.6 | -167.7 | 68.7 | 173.4 | -171.4 | 0 | 112.4 | L369 S409 Q410 G415 | L369-K413 HydrophobicContact CD2-CG 3.86Å; S409-K413 WeakPolarHBondContact O-CB 3.49Å; S409-K413 PolarHBondContact O-N 3.31Å; Q410-K413 PolarHBondContact O-N 2.86Å; K413-G415 PolarHBondContact O-N 2.8Å |
| 414 | M | 93.9 | Very high | 92.5 | Very high | 17 Ų | 17 | 52 Ų | 52 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -0.8 | 174.4 | -66.5 | 178.5 | -177.9 | 0 | 0 | 113.5 | V243 Y245 A250 L369 Q410 Q412 L416 | V243-M414 HydrophobicContact CB-CE 4.36Å; V243-M414 HydrophobicContact CB-SD 4.44Å; V243-M414 HydrophobicContact CG1-CE 4.29Å; V243-M414 HydrophobicContact CG1-SD 3.75Å; Y245-M414 HydrophobicContact CD1-CB 4.29Å; A250-M414 HydrophobicContact CB-CE 3.39Å; L369-M414 HydrophobicContact CD1-CE 3.78Å; Q410-M414 WeakPolarHBondContact O-CB 3.32Å; Q410-M414 WeakPolarHBondContact O-CG 3.34Å; Q410-M414 PolarHBondContact O-N 3.41Å; Q412-M414 VanDerWaalsContact C-N 3.31Å; Q412-M414 PolarHBondContact O-N 3.08Å; M414-L416 HydrophobicContact CB-CD1 4.28Å; M414-L416 HydrophobicContact CB-CG 4.37Å; M414-L416 PolarHBondContact O-N 2.86Å |
| 415 | G | 92.4 | Very high | 92.2 | Very high | 31 Ų | 31 | 55.4 Ų | 55.4 | 32% | 0.32 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 16.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | K203 L411 Q412 K413 | K203-G415 PolarHBondContact NZ-O 3.27Å; L411-G415 PolarHBondContact O-N 2.56Å; Q412-G415 PolarHBondContact O-N 2.94Å; K413-G415 PolarHBondContact O-N 2.8Å |
| 416 | L | 93 | Very high | 92 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -74.5 | -37.4 | 173 | -71.5 | 167.4 | 0 | 0 | 0 | 111 | I200 N201 K203 F205 Y245 L411 M414 | I200-L416 WeakPolarHBondContact CG2-O 3.44Å; N201-L416 PolarHBondContact ND2-O 3.13Å; K203-L416 HydrophobicContact CB-CD2 3.4Å; K203-L416 HydrophobicContact CD-CD2 3.97Å; K203-L416 HydrophobicContact CG-CD2 4.34Å; F205-L416 HydrophobicContact CB-CD1 3.74Å; F205-L416 HydrophobicContact CB-CD2 4.25Å; F205-L416 HydrophobicContact CD1-CD1 4.06Å; F205-L416 HydrophobicContact CD1-CD2 4.15Å; F205-L416 HydrophobicContact CD2-CD1 4.29Å; F205-L416 HydrophobicContact CG-CD1 3.78Å; F205-L416 HydrophobicContact CG-CD2 4.47Å; Y245-L416 HydrophobicContact CD1-CD1 4.25Å; Y245-L416 HydrophobicContact CD1-CD2 3.96Å; Y245-L416 HydrophobicContact CD1-CG 3.94Å; Y245-L416 HydrophobicContact CD2-CD1 4.48Å; Y245-L416 HydrophobicContact CD2-CD2 3.7Å; Y245-L416 HydrophobicContact CD2-CG 4.41Å; Y245-L416 HydrophobicContact CE1-CD2 3.98Å; Y245-L416 HydrophobicContact CE1-CG 4.25Å; Y245-L416 HydrophobicContact CE2-CD2 3.74Å; Y245-L416 HydrophobicContact CG-CD1 3.96Å; Y245-L416 HydrophobicContact CG-CD2 3.81Å; Y245-L416 HydrophobicContact CG-CG 4.02Å; L411-L416 HydrophobicContact CB-CB 4.22Å; L411-L416 HydrophobicContact CD2-CB 4.12Å; L411-L416 HydrophobicContact CD2-CD1 3.4Å; L411-L416 VanDerWaalsContact CD2-CD1 3.4Å; L411-L416 HydrophobicContact CD2-CG 4.4Å; L411-L416 WeakPolarHBondContact O-CB 3.19Å; L411-L416 PolarHBondContact O-N 2.92Å; M414-L416 HydrophobicContact CB-CD1 4.28Å; M414-L416 HydrophobicContact CB-CG 4.37Å; M414-L416 PolarHBondContact O-N 2.86Å |
| 417 | L | 93.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -113.5 | 133.7 | -179.6 | -160.4 | 85.9 | 0 | 0 | 0 | 110.1 | I200 Q408 L411 Q412 Q421 Q426 | I200-L417 HydrophobicContact CG2-CD1 4.21Å; Q408-L417 HydrophobicContact CG-CD2 3.84Å; L411-L417 HydrophobicContact CB-CB 3.97Å; L411-L417 PolarHBondContact O-N 2.8Å; L411-L417 VanDerWaalsContact O-N 3.14Å; Q412-L417 HydrophobicContact CG-CB 3.94Å; Q412-L417 HydrophobicContact CG-CD2 3.7Å; Q412-L417 HydrophobicContact CG-CG 4.3Å; L417-Q421 HydrophobicContact CD1-CB 3.96Å; L417-Q421 HydrophobicContact CD2-CB 4.32Å; L417-Q421 WeakPolarHBondContact CD2-O 3.47Å; L417-Q421 HydrophobicContact CG-CB 3.79Å; L417-Q426 HydrophobicContact CD1-CG 4.35Å |
| 418 | H | 90.9 | Very high | 91.3 | Very high | 107 Ų | 107 | 62.2 Ų | 62.2 | 50% | 0.495 | 34% | 0.338 | S | S | . | . | trans | -77 | 157.7 | 175.9 | -62.3 | -63.1 | 0 | 0 | 0 | 111.9 | G420 Q421 | H418-G420 PolarHBondContact O-N 3.35Å; H418-Q421 HydrophobicContact CB-CG 4.13Å; H418-Q421 WeakPolarHBondContact O-CB 3.29Å; H418-Q421 PolarHBondContact O-N 3.1Å; H418-Q421 VanDerWaalsContact O-N 3.1Å | ||
| 419 | L | 84.3 | Confident | 91.2 | Very high | 167 Ų | 167 | 59.9 Ų | 59.9 | 87% | 0.874 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 127.6 | 173.7 | -72.9 | 167 | 0 | 0 | 0 | 110 | Q421 | L419-Q421 VanDerWaalsContact C-N 3.33Å; L419-Q421 PolarHBondContact O-N 2.65Å |
| 420 | G | 83.1 | Confident | 91.1 | Very high | 71 Ų | 71 | 58 Ų | 58 | 73% | 0.732 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.8 | -16.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | H418 | H418-G420 PolarHBondContact O-N 3.35Š|
| 421 | Q | 90.3 | Very high | 90.9 | Very high | 54 Ų | 54 | 63.9 Ų | 63.9 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | trans | -71.4 | 145.5 | 168.9 | -74.1 | -177.2 | -22.8 | 0 | 0 | 110.1 | N201 L417 H418 L419 | N201-Q421 PolarHBondContact ND2-OE1 3.28Å; N201-Q421 PolarHBondContact OD1-NE2 3.32Å; L417-Q421 HydrophobicContact CD1-CB 3.96Å; L417-Q421 HydrophobicContact CD2-CB 4.32Å; L417-Q421 WeakPolarHBondContact CD2-O 3.47Å; L417-Q421 HydrophobicContact CG-CB 3.79Å; H418-Q421 HydrophobicContact CB-CG 4.13Å; H418-Q421 WeakPolarHBondContact O-CB 3.29Å; H418-Q421 PolarHBondContact O-N 3.1Å; H418-Q421 VanDerWaalsContact O-N 3.1Å; L419-Q421 VanDerWaalsContact C-N 3.33Å; L419-Q421 PolarHBondContact O-N 2.65Å | ||
| 422 | K | 90.1 | Very high | 90.8 | Very high | 104 Ų | 104 | 66.2 Ų | 66.2 | 45% | 0.452 | 35% | 0.35 | S | S | . | . | trans | -113.6 | 154.4 | 173.9 | -59.6 | 179.9 | 179.5 | -179.5 | 0 | 110.9 | E424 D425 | K422-E424 PolarHBondContact O-N 3Å; K422-D425 WeakPolarHBondContact CB-OD2 3.05Å; K422-D425 PolarHBondContact N-OD2 3.43Å; K422-D425 PolarHBondContact O-N 3.48Å | ||
| 423 | I | 89.1 | Confident | 90.8 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -60.1 | -36 | 171.9 | -70.4 | 173.8 | 0 | 0 | 0 | 110.9 | R404 L407 Q408 L411 D425 Q426 F429 | R404-I423 HydrophobicContact CG-CD1 4.4Å; L407-I423 HydrophobicContact CB-CD1 3.99Å; L407-I423 HydrophobicContact CD2-CD1 3.86Å; L407-I423 HydrophobicContact CG-CD1 3.66Å; Q408-I423 HydrophobicContact CB-CD1 3.84Å; Q408-I423 HydrophobicContact CB-CG1 4.32Å; L411-I423 HydrophobicContact CD1-CD1 3.93Å; L411-I423 HydrophobicContact CD1-CG1 3.99Å; I423-D425 PolarHBondContact O-N 3.22Å; I423-Q426 WeakPolarHBondContact O-CB 3.38Å; I423-Q426 PolarHBondContact O-N 3.22Å; I423-F429 HydrophobicContact CG2-CD1 3.89Å; I423-F429 HydrophobicContact CG2-CE1 4.04Å |
| 424 | E | 87.6 | Confident | 90.7 | Very high | 101 Ų | 101 | 59.7 Ų | 59.7 | 47% | 0.472 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -63.5 | -24.9 | -177.5 | -61.3 | 175.9 | 157.9 | 0 | 0 | 112.9 | R404 K422 Q426 | R404-E424 IonicContact NH1-OE1 2.68Å; R404-E424 PolarHBondContact NH1-OE1 3.02Å; K422-E424 PolarHBondContact O-N 3Å; E424-Q426 VanDerWaalsContact C-N 3.3Å |
| 425 | D | 89.3 | Confident | 90.6 | Very high | 103 Ų | 103 | 62.1 Ų | 62.1 | 55% | 0.551 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -79.2 | -16.8 | 176.5 | -54.1 | -39.6 | 0 | 0 | 0 | 111.8 | K422 I423 T427 | K422-D425 WeakPolarHBondContact CB-OD2 3.05Å; K422-D425 PolarHBondContact N-OD2 3.43Å; K422-D425 PolarHBondContact O-N 3.48Å; I423-D425 PolarHBondContact O-N 3.22Å; D425-T427 PolarHBondContact O-N 3.34Å |
| 426 | Q | 90.7 | Very high | 90.7 | Very high | 39 Ų | 39 | 60.9 Ų | 60.9 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | trans | -87.6 | 83.7 | 178.9 | -50.2 | -54.1 | -47.4 | 0 | 0 | 109.7 | I200 L417 I423 E424 D428 F429 E430 | I200-Q426 HydrophobicContact CD1-CG 4.25Å; I200-Q426 HydrophobicContact CG1-CB 4.45Å; I200-Q426 HydrophobicContact CG1-CG 4.22Å; I200-Q426 HydrophobicContact CG2-CG 4.28Å; L417-Q426 HydrophobicContact CD1-CG 4.35Å; I423-Q426 WeakPolarHBondContact O-CB 3.38Å; I423-Q426 PolarHBondContact O-N 3.22Å; E424-Q426 VanDerWaalsContact C-N 3.3Å; Q426-D428 VanDerWaalsContact C-N 3.31Å; Q426-D428 PolarHBondContact O-N 3.17Å; Q426-F429 HydrophobicContact CB-CB 4.25Å; Q426-F429 PolarHBondContact O-N 3.44Å; Q426-E430 VanDerWaalsContact O-CB 3.27Å; Q426-E430 WeakPolarHBondContact O-CB 3.34Å; Q426-E430 PolarHBondContact O-N 3.31Å | ||
| 427 | T | 88.9 | Confident | 90.7 | Very high | 93 Ų | 93 | 61 Ų | 61 | 57% | 0.571 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -54.3 | -39.6 | -169.5 | 53.9 | 0 | 0 | 0 | 0 | 114.7 | D425 K431 | D425-T427 PolarHBondContact O-N 3.34Å; T427-K431 WeakPolarHBondContact O-CG 2.81Å; T427-K431 PolarHBondContact O-N 2.96Å |
| 428 | D | 90.4 | Very high | 90.5 | Very high | 112 Ų | 112 | 60.7 Ų | 60.7 | 60% | 0.599 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -72.5 | -47.4 | -178.9 | -68 | -29.5 | 0 | 0 | 0 | 111.6 | Q426 K431 I432 | Q426-D428 VanDerWaalsContact C-N 3.31Å; Q426-D428 PolarHBondContact O-N 3.17Å; D428-K431 PolarHBondContact O-N 3.43Å; D428-I432 PolarHBondContact O-N 2.72Å |
| 429 | F | 93.7 | Very high | 90.5 | Very high | 3 Ų | 3 | 58.6 Ų | 58.6 | 1% | 0.013 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.4 | -36.9 | 178.1 | -176.1 | -118.6 | 0 | 0 | 0 | 112.3 | S198 I200 F205 W207 L407 L411 I423 Q426 K431 I432 Y433 | S198-F429 WeakPolarHBondContact OG-CD2 3.5Å; I200-F429 HydrophobicContact CD1-CB 4.3Å; I200-F429 HydrophobicContact CD1-CD1 3.85Å; I200-F429 HydrophobicContact CD1-CE1 4.44Å; I200-F429 HydrophobicContact CD1-CG 4.12Å; I200-F429 HydrophobicContact CG1-CB 4.41Å; F205-F429 AromaticContact CE2-CE2 3.89Å; F205-F429 HydrophobicContact CE2-CE2 3.89Å; F205-F429 AromaticContact CE2-CZ 3.94Å; F205-F429 HydrophobicContact CE2-CZ 3.94Å; F205-F429 HydrophobicContact CZ-CD1 4.43Å; F205-F429 AromaticContact CZ-CD2 3.92Å; F205-F429 HydrophobicContact CZ-CD2 3.92Å; F205-F429 HydrophobicContact CZ-CE1 4.27Å; F205-F429 AromaticContact CZ-CE2 3.73Å; F205-F429 HydrophobicContact CZ-CE2 3.73Å; F205-F429 HydrophobicContact CZ-CG 4.26Å; F205-F429 AromaticContact CZ-CZ 3.91Å; F205-F429 HydrophobicContact CZ-CZ 3.91Å; W207-F429 HydrophobicContact CB-CE2 4.01Å; W207-F429 HydrophobicContact CB-CZ 4.24Å; W207-F429 AromaticContact CD2-CE2 3.97Å; W207-F429 HydrophobicContact CD2-CE2 3.97Å; W207-F429 AromaticContact CD2-CZ 3.91Å; W207-F429 HydrophobicContact CD2-CZ 3.91Å; W207-F429 AromaticContact CE3-CE2 3.94Å; W207-F429 HydrophobicContact CE3-CE2 3.94Å; W207-F429 HydrophobicContact CE3-CZ 4.25Å; W207-F429 HydrophobicContact CG-CE2 4.01Å; W207-F429 AromaticContact CG-CZ 3.89Å; W207-F429 HydrophobicContact CG-CZ 3.89Å; L407-F429 HydrophobicContact CD2-CE1 3.76Å; L407-F429 HydrophobicContact CD2-CZ 3.8Å; L411-F429 HydrophobicContact CD1-CE1 4.29Å; I423-F429 HydrophobicContact CG2-CD1 3.89Å; I423-F429 HydrophobicContact CG2-CE1 4.04Å; Q426-F429 HydrophobicContact CB-CB 4.25Å; Q426-F429 PolarHBondContact O-N 3.44Å; F429-K431 VanDerWaalsContact C-N 3.26Å; F429-K431 PolarHBondContact O-N 3.33Å; F429-I432 PolarHBondContact O-N 3.32Å; F429-I432 VanDerWaalsContact O-N 3.14Å; F429-Y433 WeakPolarHBondContact O-CB 3.13Å; F429-Y433 PolarHBondContact O-N 3.39Å |
| 430 | E | 91.9 | Very high | 91 | Very high | 14 Ų | 14 | 50.7 Ų | 50.7 | 7% | 0.065 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -34.4 | 177.2 | 177.4 | 62.6 | -171.2 | 0 | 0 | 112 | R404 Q426 K434 | R404-E430 IonicContact CZ-OE1 3.17Å; R404-E430 IonicContact CZ-OE2 3.28Å; R404-E430 IonicContact NE-OE2 2.63Å; R404-E430 IonicContact NH1-OE1 3.94Å; R404-E430 VanDerWaalsContact NH2-CD 3.31Å; R404-E430 IonicContact NH2-OE1 3.49Å; R404-E430 PolarHBondContact NH2-OE1 2.64Å; R404-E430 IonicContact NH2-OE2 3.63Å; R404-E430 PolarHBondContact NH2-OE2 2.95Å; Q426-E430 VanDerWaalsContact O-CB 3.27Å; Q426-E430 WeakPolarHBondContact O-CB 3.34Å; Q426-E430 PolarHBondContact O-N 3.31Å; E430-K434 HydrophobicContact CG-CD 4.26Å; E430-K434 WeakPolarHBondContact O-CB 3.33Å; E430-K434 WeakPolarHBondContact O-CG 3.5Å; E430-K434 PolarHBondContact O-N 2.96Å; E430-K434 WeakPolarHBondContact OE1-CE 3.34Å; E430-K434 IonicContact OE1-NZ 2.56Å; E430-K434 PolarHBondContact OE1-NZ 3.07Å |
| 431 | K | 91.2 | Very high | 91.3 | Very high | 123 Ų | 123 | 47.6 Ų | 47.6 | 54% | 0.535 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.7 | -47 | 172.7 | -72 | 168.5 | -171.4 | 164.7 | 0 | 111.5 | T427 D428 F429 Y433 K434 N435 | T427-K431 WeakPolarHBondContact O-CG 2.81Å; T427-K431 PolarHBondContact O-N 2.96Å; D428-K431 PolarHBondContact O-N 3.43Å; F429-K431 VanDerWaalsContact C-N 3.26Å; F429-K431 PolarHBondContact O-N 3.33Å; K431-Y433 VanDerWaalsContact C-N 3.29Å; K431-Y433 PolarHBondContact O-N 2.94Å; K431-K434 PolarHBondContact O-N 3.42Å; K431-N435 WeakPolarHBondContact O-CB 3.16Å; K431-N435 VanDerWaalsContact O-CG 3.25Å; K431-N435 PolarHBondContact O-N 3.34Å; K431-N435 PolarHBondContact O-ND2 3.43Å |
| 432 | I | 94.4 | Very high | 91.1 | Very high | 48 Ų | 48 | 46 Ų | 46 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.1 | -46.7 | 176.8 | -64.8 | 170.1 | 0 | 0 | 0 | 109.5 | N196 W207 D428 F429 K434 N435 A436 | N196-I432 HydrophobicContact CB-CG2 3.78Å; W207-I432 HydrophobicContact CE3-CG2 4.16Å; W207-I432 HydrophobicContact CZ3-CG2 4.11Å; D428-I432 PolarHBondContact O-N 2.72Å; F429-I432 PolarHBondContact O-N 3.32Å; F429-I432 VanDerWaalsContact O-N 3.14Å; I432-K434 PolarHBondContact O-N 2.72Å; I432-N435 PolarHBondContact O-N 2.93Å; I432-A436 WeakPolarHBondContact O-CB 3.12Å; I432-A436 PolarHBondContact O-N 2.99Å |
| 433 | Y | 94.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.3 | -53.2 | 178.8 | -171.5 | -88.2 | 0 | 0 | 0 | 112.4 | W207 S400 R404 L407 F429 K431 W437 | W207-Y433 AromaticContact CE2-CD2 3.96Å; W207-Y433 AromaticContact CH2-CD2 3.49Å; W207-Y433 HydrophobicContact CH2-CD2 3.49Å; W207-Y433 VanDerWaalsContact CH2-CD2 3.49Å; W207-Y433 HydrophobicContact CH2-CE2 4Å; W207-Y433 HydrophobicContact CH2-CG 4.03Å; W207-Y433 AromaticContact CZ2-CD2 3.27Å; W207-Y433 HydrophobicContact CZ2-CD2 3.27Å; W207-Y433 AromaticContact CZ2-CE2 3.4Å; W207-Y433 HydrophobicContact CZ2-CE2 3.4Å; W207-Y433 VanDerWaalsContact CZ2-CE2 3.4Å; W207-Y433 HydrophobicContact CZ2-CG 4.23Å; W207-Y433 HydrophobicContact CZ3-CD2 4.31Å; S400-Y433 PolarHBondContact O-OH 2.96Å; R404-Y433 WeakPolarHBondContact CA-OH 3.39Å; R404-Y433 HydrophobicContact CB-CE1 4.19Å; R404-Y433 WeakPolarHBondContact CB-OH 3.49Å; R404-Y433 PolarHBondContact N-OH 3.3Å; L407-Y433 HydrophobicContact CD2-CD2 3.77Å; L407-Y433 HydrophobicContact CD2-CE2 3.55Å; F429-Y433 WeakPolarHBondContact O-CB 3.13Å; F429-Y433 PolarHBondContact O-N 3.39Å; K431-Y433 VanDerWaalsContact C-N 3.29Å; K431-Y433 PolarHBondContact O-N 2.94Å; Y433-W437 AromaticContact CD1-CD1 3.82Å; Y433-W437 AromaticContact CE1-CD1 3.41Å; Y433-W437 VanDerWaalsContact CE1-CD1 3.41Å; Y433-W437 HydrophobicContact CE1-CG 4.4Å; Y433-W437 AromaticContact CE1-NE1 3.67Å; Y433-W437 AromaticContact CE2-CD1 3.9Å; Y433-W437 AromaticContact CE2-NE1 3.56Å; Y433-W437 AromaticContact CZ-CD1 3.43Å; Y433-W437 VanDerWaalsContact CZ-CD1 3.43Å; Y433-W437 AromaticContact CZ-NE1 3.16Å; Y433-W437 PolarHBondContact O-N 3.08Å; Y433-W437 VanDerWaalsContact O-N 3.13Å; Y433-W437 PolarHBondContact OH-NE1 3.16Å |
| 434 | K | 91 | Very high | 91.2 | Very high | 59 Ų | 59 | 42.1 Ų | 42.1 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.3 | -41.9 | -179.8 | -80.7 | 172.3 | 162.1 | 141.6 | 0 | 112.6 | E430 K431 I432 A438 T459 | E430-K434 HydrophobicContact CG-CD 4.26Å; E430-K434 WeakPolarHBondContact O-CB 3.33Å; E430-K434 WeakPolarHBondContact O-CG 3.5Å; E430-K434 PolarHBondContact O-N 2.96Å; E430-K434 WeakPolarHBondContact OE1-CE 3.34Å; E430-K434 IonicContact OE1-NZ 2.56Å; E430-K434 PolarHBondContact OE1-NZ 3.07Å; K431-K434 PolarHBondContact O-N 3.42Å; I432-K434 PolarHBondContact O-N 2.72Å; K434-A438 WeakPolarHBondContact O-CB 3.46Å; K434-A438 PolarHBondContact O-N 3.31Å; K434-T459 WeakPolarHBondContact CB-O 3.42Å; K434-T459 WeakPolarHBondContact CG-O 3.45Å |
| 435 | N | 92 | Very high | 91.2 | Very high | 69 Ų | 69 | 37.3 Ų | 37.3 | 37% | 0.369 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.1 | -47 | 179.2 | -72.8 | -23.6 | 0 | 0 | 0 | 111.4 | K431 I432 W437 A438 D439 | K431-N435 WeakPolarHBondContact O-CB 3.16Å; K431-N435 VanDerWaalsContact O-CG 3.25Å; K431-N435 PolarHBondContact O-N 3.34Å; K431-N435 PolarHBondContact O-ND2 3.43Å; I432-N435 PolarHBondContact O-N 2.93Å; N435-W437 PolarHBondContact O-N 3.42Å; N435-A438 WeakPolarHBondContact O-CB 3.48Å; N435-A438 PolarHBondContact O-N 2.92Å; N435-A438 VanDerWaalsContact O-N 3.11Å; N435-D439 VanDerWaalsContact O-CG 3.23Å; N435-D439 PolarHBondContact O-N 3.5Å |
| 436 | A | 94.4 | Very high | 91.1 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.033 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.7 | -42.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T194 W207 I209 I432 D439 N440 | T194-A436 HydrophobicContact CG2-CB 3.99Å; W207-A436 HydrophobicContact CH2-CB 3.69Å; W207-A436 HydrophobicContact CZ3-CB 3.52Å; I209-A436 HydrophobicContact CD1-CB 4.13Å; I432-A436 WeakPolarHBondContact O-CB 3.12Å; I432-A436 PolarHBondContact O-N 2.99Å; A436-D439 PolarHBondContact O-N 2.93Å; A436-N440 WeakPolarHBondContact O-CB 3.33Å; A436-N440 PolarHBondContact O-N 3.08Å |
| 437 | W | 94.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.8 | -29.1 | 175.6 | -84.4 | 102.8 | 0 | 0 | 0 | 113.7 | W207 I209 T239 N396 Q399 A403 Y433 N435 A441 T459 | W207-W437 AromaticContact CZ2-NE1 3.93Å; I209-W437 HydrophobicContact CD1-CD2 4.09Å; I209-W437 HydrophobicContact CD1-CG 4.15Å; I209-W437 HydrophobicContact CD1-CZ2 4.22Å; T239-W437 HydrophobicContact CG2-CH2 3.79Å; T239-W437 HydrophobicContact CG2-CZ3 4.21Å; N396-W437 PolarHBondContact ND2-O 3.4Å; Q399-W437 HydrophobicContact CB-CH2 4.01Å; Q399-W437 HydrophobicContact CB-CZ3 3.87Å; A403-W437 HydrophobicContact CB-CH2 4.13Å; A403-W437 HydrophobicContact CB-CZ2 3.4Å; Y433-W437 AromaticContact CD1-CD1 3.82Å; Y433-W437 AromaticContact CE1-CD1 3.41Å; Y433-W437 VanDerWaalsContact CE1-CD1 3.41Å; Y433-W437 HydrophobicContact CE1-CG 4.4Å; Y433-W437 AromaticContact CE1-NE1 3.67Å; Y433-W437 AromaticContact CE2-CD1 3.9Å; Y433-W437 AromaticContact CE2-NE1 3.56Å; Y433-W437 AromaticContact CZ-CD1 3.43Å; Y433-W437 VanDerWaalsContact CZ-CD1 3.43Å; Y433-W437 AromaticContact CZ-NE1 3.16Å; Y433-W437 PolarHBondContact O-N 3.08Å; Y433-W437 VanDerWaalsContact O-N 3.13Å; Y433-W437 PolarHBondContact OH-NE1 3.16Å; N435-W437 PolarHBondContact O-N 3.42Å; W437-A441 PolarHBondContact O-N 3.23Å; W437-A441 VanDerWaalsContact O-N 3.17Å; W437-T459 HydrophobicContact CB-CG2 4.25Å |
| 438 | A | 88.1 | Confident | 90.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.1 | -43 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K434 N435 A441 D442 T459 R460 | K434-A438 WeakPolarHBondContact O-CB 3.46Å; K434-A438 PolarHBondContact O-N 3.31Å; N435-A438 WeakPolarHBondContact O-CB 3.48Å; N435-A438 PolarHBondContact O-N 2.92Å; N435-A438 VanDerWaalsContact O-N 3.11Å; A438-A441 WeakPolarHBondContact O-CB 3.45Å; A438-A441 PolarHBondContact O-N 2.84Å; A438-D442 PolarHBondContact O-N 3.39Å; A438-T459 HydrophobicContact CB-CG2 3.89Å; A438-R460 HydrophobicContact CB-CG 3.46Å; A438-R460 VanDerWaalsContact CB-CG 3.46Å |
| 439 | D | 91.6 | Very high | 90.2 | Very high | 63 Ų | 63 | 26.7 Ų | 26.7 | 34% | 0.337 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -67.4 | -37.6 | 178.5 | -64.9 | -15 | 0 | 0 | 0 | 111.2 | F192 N435 A436 A441 D442 A443 R460 | F192-D439 HydrophobicContact CE2-CB 3.88Å; F192-D439 HydrophobicContact CZ-CB 3.69Å; N435-D439 VanDerWaalsContact O-CG 3.23Å; N435-D439 PolarHBondContact O-N 3.5Å; A436-D439 PolarHBondContact O-N 2.93Å; D439-A441 VanDerWaalsContact C-N 3.34Å; D439-A441 PolarHBondContact O-N 2.88Å; D439-D442 PolarHBondContact O-N 3.35Å; D439-A443 WeakPolarHBondContact O-CB 3.45Å; D439-A443 PolarHBondContact O-N 2.71Å; D439-R460 IonicContact OD1-CZ 3.79Å; D439-R460 IonicContact OD1-NE 3.42Å; D439-R460 IonicContact OD1-NH2 2.87Å; D439-R460 PolarHBondContact OD1-NH2 2.91Å |
| 440 | N | 94.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.2 | -44.3 | 169.8 | -177.8 | 53.6 | 0 | 0 | 0 | 112.3 | F192 S211 R256 N396 A436 C444 | F192-N440 HydrophobicContact CD1-CB 3.62Å; F192-N440 WeakPolarHBondContact CD1-OD1 3.26Å; F192-N440 HydrophobicContact CE1-CB 3.75Å; F192-N440 HydrophobicContact CG-CB 4.29Å; S211-N440 WeakPolarHBondContact CB-OD1 3.36Å; S211-N440 PolarHBondContact OG-OD1 2.85Å; R256-N440 PolarHBondContact NH2-ND2 3.48Å; N396-N440 PolarHBondContact OD1-ND2 3.39Å; A436-N440 WeakPolarHBondContact O-CB 3.33Å; A436-N440 PolarHBondContact O-N 3.08Å; N440-C444 WeakPolarHBondContact O-CB 3.25Å; N440-C444 PolarHBondContact O-N 2.84Å; N440-C444 PolarHBondContact O-SG 3.37Å |
| 441 | A | 89.1 | Confident | 88.5 | Confident | 6 Ų | 6 | 26.8 Ų | 26.8 | 5% | 0.05 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.5 | -46.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | N396 W437 A438 D439 C444 A445 A453 | N396-A441 HydrophobicContact CB-CB 4.1Å; N396-A441 WeakPolarHBondContact ND2-CB 3.37Å; W437-A441 PolarHBondContact O-N 3.23Å; W437-A441 VanDerWaalsContact O-N 3.17Å; A438-A441 WeakPolarHBondContact O-CB 3.45Å; A438-A441 PolarHBondContact O-N 2.84Å; D439-A441 VanDerWaalsContact C-N 3.34Å; D439-A441 PolarHBondContact O-N 2.88Å; A441-C444 PolarHBondContact O-N 3.14Å; A441-A445 VanDerWaalsContact O-CB 3.25Å; A441-A445 WeakPolarHBondContact O-CB 3.18Å; A441-A445 PolarHBondContact O-N 3.01Å; A441-A453 HydrophobicContact CB-CB 3.99Å |
| 442 | D | 87.3 | Confident | 87.1 | Confident | 22 Ų | 22 | 21.4 Ų | 21.4 | 12% | 0.118 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.6 | -44 | 179.1 | -92.9 | -31.2 | 0 | 0 | 0 | 112.1 | A438 D439 A445 K446 A453 T456 R460 | A438-D442 PolarHBondContact O-N 3.39Å; D439-D442 PolarHBondContact O-N 3.35Å; D442-A445 PolarHBondContact O-N 2.88Å; D442-K446 WeakPolarHBondContact O-CB 3.39Å; D442-K446 VanDerWaalsContact O-CG 3.26Å; D442-K446 WeakPolarHBondContact O-CG 3.21Å; D442-K446 PolarHBondContact O-N 3.33Å; D442-A453 PolarHBondContact OD1-N 3.36Å; D442-T456 WeakPolarHBondContact OD1-CG2 3.27Å; D442-R460 IonicContact OD2-NH2 2.89Å |
| 443 | A | 91.1 | Very high | 85.4 | Confident | 12 Ų | 12 | 19.2 Ų | 19.2 | 10% | 0.099 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.9 | -52.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F192 D439 A445 K446 Q447 | F192-A443 HydrophobicContact CB-CB 3.9Å; F192-A443 HydrophobicContact CD2-CB 3.68Å; F192-A443 HydrophobicContact CG-CB 4.09Å; D439-A443 WeakPolarHBondContact O-CB 3.45Å; D439-A443 PolarHBondContact O-N 2.71Å; A443-A445 VanDerWaalsContact C-N 3.3Å; A443-A445 PolarHBondContact O-N 2.94Å; A443-K446 PolarHBondContact O-N 3.45Å; A443-Q447 WeakPolarHBondContact O-CB 3.14Å; A443-Q447 WeakPolarHBondContact O-CG 3.45Å; A443-Q447 PolarHBondContact O-N 3.38Å |
| 444 | C | 90 | Very high | 83.9 | Confident | 9 Ų | 9 | 20.6 Ų | 20.6 | 6% | 0.061 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.4 | -39.4 | 179.3 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | R256 L392 N440 A441 Q447 Y448 | R256-C444 PolarHBondContact NH2-SG 2.63Å; L392-C444 HydrophobicContact CD2-CB 4.39Å; N440-C444 WeakPolarHBondContact O-CB 3.25Å; N440-C444 PolarHBondContact O-N 2.84Å; N440-C444 PolarHBondContact O-SG 3.37Å; A441-C444 PolarHBondContact O-N 3.14Å; C444-Q447 PolarHBondContact O-N 2.96Å; C444-Y448 WeakPolarHBondContact O-CB 3.47Å; C444-Y448 PolarHBondContact O-N 2.98Å |
| 445 | A | 86.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.1 | -41 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L392 A441 D442 A443 Q447 Y448 A449 G450 T451 A453 | L392-A445 HydrophobicContact CD1-CB 3.87Å; L392-A445 HydrophobicContact CD2-CB 4.15Å; L392-A445 HydrophobicContact CG-CB 4.47Å; A441-A445 VanDerWaalsContact O-CB 3.25Å; A441-A445 WeakPolarHBondContact O-CB 3.18Å; A441-A445 PolarHBondContact O-N 3.01Å; D442-A445 PolarHBondContact O-N 2.88Å; A443-A445 VanDerWaalsContact C-N 3.3Å; A443-A445 PolarHBondContact O-N 2.94Å; A445-Q447 VanDerWaalsContact C-N 3.33Å; A445-Y448 PolarHBondContact O-N 3.24Å; A445-A449 WeakPolarHBondContact O-CA 3.16Å; A445-A449 WeakPolarHBondContact O-CB 3.3Å; A445-A449 PolarHBondContact O-N 2.83Å; A445-G450 PolarHBondContact O-N 2.97Å; A445-T451 CarbonylContact C-O 3.55Å; A445-A453 HydrophobicContact CB-CB 3.72Å |
| 446 | K | 87.3 | Confident | 80.8 | Confident | 103 Ų | 103 | 19.5 Ų | 19.5 | 45% | 0.448 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -62.9 | -43.2 | 175.4 | -74.2 | 170.8 | -175.6 | 173.9 | 0 | 110.9 | D442 A443 Y448 G450 T451 | D442-K446 WeakPolarHBondContact O-CB 3.39Å; D442-K446 VanDerWaalsContact O-CG 3.26Å; D442-K446 WeakPolarHBondContact O-CG 3.21Å; D442-K446 PolarHBondContact O-N 3.33Å; A443-K446 PolarHBondContact O-N 3.45Å; K446-Y448 VanDerWaalsContact C-N 3.34Å; K446-Y448 PolarHBondContact O-N 2.87Å; K446-G450 WeakPolarHBondContact O-CA 3.47Å; K446-G450 PolarHBondContact O-N 3.29Å; K446-T451 WeakPolarHBondContact CA-O 3.23Å; K446-T451 PolarHBondContact N-O 3.13Å; K446-T451 VanDerWaalsContact N-O 3.08Å |
| 447 | Q | 87.4 | Confident | 78.5 | Confident | 8 Ų | 8 | 20.1 Ų | 20.1 | 4% | 0.037 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.8 | -35.4 | -179.3 | -68.9 | 166.2 | -7.9 | 0 | 0 | 112.7 | T127 D128 G191 R213 A443 C444 A445 | T127-Q447 HydrophobicContact CG2-CG 4.4Å; D128-Q447 PolarHBondContact O-NE2 3.48Å; G191-Q447 PolarHBondContact O-NE2 2.9Å; R213-Q447 PolarHBondContact NH1-O 3.42Å; A443-Q447 WeakPolarHBondContact O-CB 3.14Å; A443-Q447 WeakPolarHBondContact O-CG 3.45Å; A443-Q447 PolarHBondContact O-N 3.38Å; C444-Q447 PolarHBondContact O-N 2.96Å; A445-Q447 VanDerWaalsContact C-N 3.33Å |
| 448 | Y | 83.8 | Confident | 76.5 | Confident | 13 Ų | 13 | 21.4 Ų | 21.4 | 5% | 0.051 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -92.1 | -50.4 | -178.2 | -180 | -130.5 | 0 | 0 | 0 | 114.1 | G219 R221 R225 N235 D390 L392 C444 A445 K446 | G219-Y448 VanDerWaalsContact O-CD2 3.3Å; G219-Y448 WeakPolarHBondContact O-CD2 3.45Å; G219-Y448 WeakPolarHBondContact O-CE2 3.27Å; R221-Y448 VanDerWaalsContact CA-CZ 3.45Å; R221-Y448 WeakPolarHBondContact CA-OH 3.37Å; R221-Y448 HydrophobicContact CB-CE1 4.1Å; R221-Y448 HydrophobicContact CB-CE2 4.29Å; R221-Y448 HydrophobicContact CG-CE1 3.94Å; R221-Y448 PolarHBondContact O-OH 2.88Å; R225-Y448 VanDerWaalsContact CZ-OH 3.28Å; R225-Y448 PolarHBondContact NH1-OH 3.09Å; N235-Y448 HydrophobicContact CB-CD2 4.21Å; N235-Y448 HydrophobicContact CB-CE2 4.22Å; N235-Y448 WeakPolarHBondContact ND2-CD2 3.35Å; N235-Y448 WeakPolarHBondContact ND2-CE2 3.32Å; D390-Y448 HydrophobicContact CB-CE1 4.26Å; D390-Y448 VanDerWaalsContact O-CE1 3.23Å; D390-Y448 WeakPolarHBondContact O-CE1 3.42Å; L392-Y448 HydrophobicContact CD1-CD1 3.81Å; L392-Y448 HydrophobicContact CD2-CD1 3.87Å; L392-Y448 HydrophobicContact CD2-CG 4.44Å; L392-Y448 HydrophobicContact CG-CD1 3.78Å; L392-Y448 HydrophobicContact CG-CE1 4.47Å; C444-Y448 WeakPolarHBondContact O-CB 3.47Å; C444-Y448 PolarHBondContact O-N 2.98Å; A445-Y448 PolarHBondContact O-N 3.24Å; K446-Y448 VanDerWaalsContact C-N 3.34Å; K446-Y448 PolarHBondContact O-N 2.87Å |
| 449 | A | 79.3 | Confident | 75 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -106 | -1.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L392 A445 T451 R479 | L392-A449 HydrophobicContact CD1-CB 4.04Å; A445-A449 WeakPolarHBondContact O-CA 3.16Å; A445-A449 WeakPolarHBondContact O-CB 3.3Å; A445-A449 PolarHBondContact O-N 2.83Å; A449-T451 PolarHBondContact O-N 2.83Å; A449-R479 HydrophobicContact CB-CG 4.33Å |
| 450 | G | 77.9 | Confident | 73.7 | Confident | 13 Ų | 13 | 23.8 Ų | 23.8 | 13% | 0.134 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 73.9 | 2.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | A445 K446 K482 R490 | A445-G450 PolarHBondContact O-N 2.97Å; K446-G450 WeakPolarHBondContact O-CA 3.47Å; K446-G450 PolarHBondContact O-N 3.29Å; G450-K482 PolarHBondContact O-NZ 3.42Å; G450-R490 VanDerWaalsContact CA-NH1 3.34Å; G450-R490 VanDerWaalsContact CA-NH2 3.33Å |
| 451 | T | 73.2 | Confident | 71.5 | Confident | 7 Ų | 7 | 27.7 Ų | 27.7 | 4% | 0.043 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -133 | 161.8 | 179.9 | 69.1 | 0 | 0 | 0 | 0 | 109.8 | A445 K446 A449 I478 R479 K482 | A445-T451 CarbonylContact C-O 3.55Å; K446-T451 WeakPolarHBondContact CA-O 3.23Å; K446-T451 PolarHBondContact N-O 3.13Å; K446-T451 VanDerWaalsContact N-O 3.08Å; A449-T451 PolarHBondContact O-N 2.83Å; T451-I478 HydrophobicContact CG2-CB 4.04Å; T451-I478 HydrophobicContact CG2-CG2 3.54Å; T451-R479 HydrophobicContact CG2-CB 3.93Å; T451-R479 HydrophobicContact CG2-CG 4.48Å; T451-R479 PolarHBondContact OG1-NE 2.99Å; T451-R479 PolarHBondContact OG1-NH2 3.16Å; T451-K482 HydrophobicContact CG2-CD 4.27Å |
| 452 | G | 62.1 | Low | 69.6 | Low | 10 Ų | 10 | 29.1 Ų | 29.1 | 10% | 0.103 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -54.6 | 162.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R479 | G452-R479 PolarHBondContact O-NH2 3.23Š|
| 453 | A | 58.3 | Low | 67.8 | Low | 2 Ų | 2 | 35.7 Ų | 35.7 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -67 | 152.7 | 175 | 0 | 0 | 0 | 0 | 0 | 109.8 | A441 D442 A445 T456 | A441-A453 HydrophobicContact CB-CB 3.99Å; D442-A453 PolarHBondContact OD1-N 3.36Å; A445-A453 HydrophobicContact CB-CB 3.72Å; A453-T456 HydrophobicContact CB-CG2 3.57Å; A453-T456 WeakPolarHBondContact O-CG2 3.47Å |
| 454 | L | 62.8 | Low | 65.9 | Low | 31 Ų | 31 | 41.2 Ų | 41.2 | 16% | 0.162 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 149.2 | 172.3 | -61.8 | 175 | 0 | 0 | 0 | 108.2 | D393 T456 D472 N475 | D393-L454 PolarHBondContact OD1-N 2.89Å; L454-T456 VanDerWaalsContact C-N 3.28Å; L454-T456 PolarHBondContact O-N 2.91Å; L454-D472 WeakPolarHBondContact CA-OD1 3.28Å; L454-D472 HydrophobicContact CD2-CB 4.08Å; L454-D472 WeakPolarHBondContact CD2-O 3.45Å; L454-N475 HydrophobicContact CD2-CB 3.81Å |
| 455 | K | 61.3 | Low | 64.8 | Low | 81 Ų | 81 | 43.6 Ų | 43.6 | 35% | 0.352 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 30.8 | 178.7 | -47.1 | 174.3 | 179.7 | 176.2 | 0 | 114.3 | D457 F458 T459 D472 | K455-D457 WeakPolarHBondContact CA-OD1 3.35Å; K455-D457 PolarHBondContact O-N 2.82Å; K455-F458 HydrophobicContact CB-CB 4.34Å; K455-F458 WeakPolarHBondContact O-CB 3.46Å; K455-F458 PolarHBondContact O-N 3.21Å; K455-T459 PolarHBondContact O-N 2.89Å; K455-D472 PolarHBondContact N-OD1 2.96Å |
| 456 | T | 56.8 | Low | 63.9 | Low | 24 Ų | 24 | 49.6 Ų | 49.6 | 15% | 0.147 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.9 | -32.9 | 173.6 | 50.1 | 0 | 0 | 0 | 0 | 111.7 | D442 A453 L454 F458 T459 R460 | D442-T456 WeakPolarHBondContact OD1-CG2 3.27Å; A453-T456 HydrophobicContact CB-CG2 3.57Å; A453-T456 WeakPolarHBondContact O-CG2 3.47Å; L454-T456 VanDerWaalsContact C-N 3.28Å; L454-T456 PolarHBondContact O-N 2.91Å; T456-F458 VanDerWaalsContact C-N 3.26Å; T456-F458 PolarHBondContact O-N 2.92Å; T456-T459 PolarHBondContact O-N 2.88Å; T456-T459 VanDerWaalsContact O-N 3.11Å; T456-R460 PolarHBondContact O-N 3.35Å |
| 457 | D | 45.4 | Very low | 62.4 | Low | 16 Ų | 16 | 54.5 Ų | 54.5 | 9% | 0.086 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.8 | -37.9 | 173.7 | 69.9 | -33 | 0 | 0 | 0 | 112.5 | K455 R460 T461 T465 | K455-D457 WeakPolarHBondContact CA-OD1 3.35Å; K455-D457 PolarHBondContact O-N 2.82Å; D457-R460 PolarHBondContact O-N 2.96Å; D457-T461 WeakPolarHBondContact O-CB 3.16Å; D457-T461 PolarHBondContact O-N 3.48Å; D457-T461 PolarHBondContact O-OG1 3.5Å; D457-T465 PolarHBondContact OD2-N 2.72Å; D457-T465 PolarHBondContact OD2-OG1 2.89Å; D457-T465 VanDerWaalsContact OD2-OG1 3.09Å |
| 458 | F | 53.1 | Low | 61.3 | Low | 29 Ų | 29 | 54.5 Ų | 54.5 | 13% | 0.127 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 174.8 | 179.3 | -102.9 | 0 | 0 | 0 | 112 | M346 W348 K455 T456 R460 G462 | M346-F458 HydrophobicContact CE-CD2 4.23Å; M346-F458 HydrophobicContact CE-CE2 4.49Å; W348-F458 HydrophobicContact CB-CZ 4.11Å; W348-F458 AromaticContact CD1-CE2 3.39Å; W348-F458 AromaticContact CD1-CZ 3.47Å; W348-F458 VanDerWaalsContact CD1-CZ 3.47Å; W348-F458 AromaticContact CD2-CE1 3.81Å; W348-F458 HydrophobicContact CD2-CE1 3.81Å; W348-F458 AromaticContact CD2-CE2 3.91Å; W348-F458 HydrophobicContact CD2-CE2 3.91Å; W348-F458 AromaticContact CD2-CZ 3.31Å; W348-F458 HydrophobicContact CD2-CZ 3.31Å; W348-F458 AromaticContact CE2-CE1 3.83Å; W348-F458 AromaticContact CE2-CE2 3.52Å; W348-F458 AromaticContact CE2-CZ 3.36Å; W348-F458 AromaticContact CE3-CE1 4Å; W348-F458 HydrophobicContact CE3-CE1 4Å; W348-F458 AromaticContact CE3-CZ 3.94Å; W348-F458 HydrophobicContact CE3-CZ 3.94Å; W348-F458 HydrophobicContact CG-CE1 4.31Å; W348-F458 AromaticContact CG-CE2 3.82Å; W348-F458 HydrophobicContact CG-CE2 3.82Å; W348-F458 AromaticContact CG-CZ 3.38Å; W348-F458 HydrophobicContact CG-CZ 3.38Å; W348-F458 HydrophobicContact CH2-CD1 4.41Å; W348-F458 HydrophobicContact CH2-CE1 4.16Å; W348-F458 HydrophobicContact CZ2-CD1 4.22Å; W348-F458 HydrophobicContact CZ2-CD2 4.34Å; W348-F458 HydrophobicContact CZ2-CE1 4.01Å; W348-F458 HydrophobicContact CZ2-CE2 4.15Å; W348-F458 HydrophobicContact CZ2-CG 4.37Å; W348-F458 AromaticContact CZ2-CZ 3.99Å; W348-F458 HydrophobicContact CZ2-CZ 3.99Å; W348-F458 HydrophobicContact CZ3-CE1 4.17Å; W348-F458 HydrophobicContact CZ3-CZ 4.49Å; W348-F458 AromaticContact NE1-CD2 3.89Å; W348-F458 AromaticContact NE1-CE2 3.18Å; W348-F458 AromaticContact NE1-CZ 3.46Å; K455-F458 HydrophobicContact CB-CB 4.34Å; K455-F458 WeakPolarHBondContact O-CB 3.46Å; K455-F458 PolarHBondContact O-N 3.21Å; T456-F458 VanDerWaalsContact C-N 3.26Å; T456-F458 PolarHBondContact O-N 2.92Å; F458-R460 VanDerWaalsContact C-N 3.31Å; F458-R460 PolarHBondContact O-N 3.45Å; F458-G462 VanDerWaalsContact CE2-O 3.24Å; F458-G462 WeakPolarHBondContact CE2-O 3.47Å; F458-G462 WeakPolarHBondContact O-CA 3.45Å; F458-G462 PolarHBondContact O-N 2.92Å |
| 459 | T | 57.1 | Low | 60.4 | Low | 20 Ų | 20 | 55.8 Ų | 55.8 | 12% | 0.123 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64 | -40.7 | 177.1 | -52.2 | 0 | 0 | 0 | 0 | 110.6 | K434 W437 A438 K455 T456 | K434-T459 WeakPolarHBondContact CB-O 3.42Å; K434-T459 WeakPolarHBondContact CG-O 3.45Å; W437-T459 HydrophobicContact CB-CG2 4.25Å; A438-T459 HydrophobicContact CB-CG2 3.89Å; K455-T459 PolarHBondContact O-N 2.89Å; T456-T459 PolarHBondContact O-N 2.88Å; T456-T459 VanDerWaalsContact O-N 3.11Å |
| 460 | R | 64.1 | Low | 59.9 | Low | 93 Ų | 93 | 60.5 Ų | 60.5 | 35% | 0.351 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -71.7 | -41.9 | 179.4 | -69.6 | -170.8 | 178.1 | 129.6 | 5.2 | 113.8 | A438 D439 D442 T456 D457 F458 | A438-R460 HydrophobicContact CB-CG 3.46Å; A438-R460 VanDerWaalsContact CB-CG 3.46Å; D439-R460 IonicContact OD1-CZ 3.79Å; D439-R460 IonicContact OD1-NE 3.42Å; D439-R460 IonicContact OD1-NH2 2.87Å; D439-R460 PolarHBondContact OD1-NH2 2.91Å; D442-R460 IonicContact OD2-NH2 2.89Å; T456-R460 PolarHBondContact O-N 3.35Å; D457-R460 PolarHBondContact O-N 2.96Å; F458-R460 VanDerWaalsContact C-N 3.31Å; F458-R460 PolarHBondContact O-N 3.45Å |
| 461 | T | 47.8 | Very low | 59.5 | Low | 82 Ų | 82 | 63.8 Ų | 63.8 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -118.4 | -9.5 | -166.6 | 69 | 0 | 0 | 0 | 0 | 114.6 | D457 K463 | D457-T461 WeakPolarHBondContact O-CB 3.16Å; D457-T461 PolarHBondContact O-N 3.48Å; D457-T461 PolarHBondContact O-OG1 3.5Å; T461-K463 PolarHBondContact O-N 2.95Å; T461-K463 PolarHBondContact OG1-N 3.29Å; T461-K463 PolarHBondContact OG1-O 2.9Å |
| 462 | G | 49.7 | Very low | 59.6 | Low | 36 Ų | 36 | 64 Ų | 64 | 37% | 0.371 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 69.5 | 1.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F458 | F458-G462 VanDerWaalsContact CE2-O 3.24Å; F458-G462 WeakPolarHBondContact CE2-O 3.47Å; F458-G462 WeakPolarHBondContact O-CA 3.45Å; F458-G462 PolarHBondContact O-N 2.92Å |
| 463 | K | 49.2 | Very low | 60.2 | Low | 160 Ų | 160 | 65.5 Ų | 65.5 | 70% | 0.696 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -134.2 | 155.3 | 177.3 | -68 | -176.5 | -178.7 | 176.9 | 0 | 110 | T461 | T461-K463 PolarHBondContact O-N 2.95Å; T461-K463 PolarHBondContact OG1-N 3.29Å; T461-K463 PolarHBondContact OG1-O 2.9Å |
| 464 | R | 51.8 | Low | 61 | Low | 128 Ų | 128 | 73.3 Ų | 73.3 | 48% | 0.483 | 37% | 0.374 | S | S | . | . | trans | -89 | 127.1 | 176 | -166.8 | 173 | -164.8 | -171.8 | 1.6 | 109.8 | M346 D472 | M346-R464 HydrophobicContact CE-CB 3.6Å; R464-D472 IonicContact CZ-OD2 3.29Å; R464-D472 IonicContact NE-OD2 2.81Å; R464-D472 IonicContact NH2-OD2 3.35Å; R464-D472 PolarHBondContact NH2-OD2 2.87Å | ||
| 465 | T | 65.8 | Low | 61.6 | Low | 59 Ų | 59 | 72.7 Ų | 72.7 | 36% | 0.362 | 37% | 0.371 | S | S | . | . | trans | -96.8 | 150.8 | 178.2 | 62.7 | 0 | 0 | 0 | 0 | 110.8 | D457 W467 G468 A469 | D457-T465 PolarHBondContact OD2-N 2.72Å; D457-T465 PolarHBondContact OD2-OG1 2.89Å; D457-T465 VanDerWaalsContact OD2-OG1 3.09Å; T465-W467 VanDerWaalsContact C-N 3.28Å; T465-W467 PolarHBondContact O-N 3.21Å; T465-G468 PolarHBondContact O-N 3.42Å; T465-G468 WeakPolarHBondContact OG1-CA 3.36Å; T465-G468 PolarHBondContact OG1-N 3.29Å; T465-A469 PolarHBondContact O-N 3.35Å | ||
| 466 | V | 67.6 | Low | 62.5 | Low | 126 Ų | 126 | 70 Ų | 70 | 76% | 0.764 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61.2 | -41.3 | 176.8 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | A469 V470 | V466-A469 WeakPolarHBondContact O-CB 3.16Å; V466-A469 PolarHBondContact O-N 2.81Å; V466-V470 PolarHBondContact O-N 3.41Å; V466-V470 VanDerWaalsContact O-N 3.13Å |
| 467 | W | 57 | Low | 63.4 | Low | 206 Ų | 206 | 71.6 Ų | 71.6 | 78% | 0.78 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65.4 | -39.3 | 176.4 | -159.2 | 78.3 | 0 | 0 | 0 | 112.1 | T465 A469 V470 M471 | T465-W467 VanDerWaalsContact C-N 3.28Å; T465-W467 PolarHBondContact O-N 3.21Å; W467-A469 VanDerWaalsContact C-N 3.32Å; W467-A469 PolarHBondContact O-N 2.76Å; W467-V470 PolarHBondContact O-N 3.22Å; W467-M471 PolarHBondContact O-N 3.43Å |
| 468 | G | 63.5 | Low | 65 | Low | 8 Ų | 8 | 73.4 Ų | 73.4 | 8% | 0.082 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60 | -38.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T465 M471 D472 | T465-G468 PolarHBondContact O-N 3.42Å; T465-G468 WeakPolarHBondContact OG1-CA 3.36Å; T465-G468 PolarHBondContact OG1-N 3.29Å; G468-M471 PolarHBondContact O-N 2.93Å; G468-D472 WeakPolarHBondContact O-CB 3.23Å; G468-D472 VanDerWaalsContact O-CG 3.25Å; G468-D472 PolarHBondContact O-N 2.78Å |
| 469 | A | 65.1 | Low | 66.3 | Low | 41 Ų | 41 | 72.5 Ų | 72.5 | 34% | 0.339 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.4 | -35.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | T465 V466 W467 G473 | T465-A469 PolarHBondContact O-N 3.35Å; V466-A469 WeakPolarHBondContact O-CB 3.16Å; V466-A469 PolarHBondContact O-N 2.81Å; W467-A469 VanDerWaalsContact C-N 3.32Å; W467-A469 PolarHBondContact O-N 2.76Å; A469-G473 PolarHBondContact O-N 2.86Å; A469-G473 VanDerWaalsContact O-N 3.15Å |
| 470 | V | 69.4 | Low | 67.5 | Low | 98 Ų | 98 | 75.1 Ų | 75.1 | 59% | 0.594 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -67 | -45.7 | 173.3 | 174 | 0 | 0 | 0 | 0 | 110.5 | V466 W467 D472 G473 W474 | V466-V470 PolarHBondContact O-N 3.41Å; V466-V470 VanDerWaalsContact O-N 3.13Å; W467-V470 PolarHBondContact O-N 3.22Å; V470-D472 VanDerWaalsContact C-N 3.32Å; V470-D472 PolarHBondContact O-N 3.49Å; V470-G473 WeakPolarHBondContact O-CA 3.49Å; V470-G473 PolarHBondContact O-N 2.68Å; V470-G473 VanDerWaalsContact O-N 3.07Å; V470-W474 PolarHBondContact O-N 2.88Å |
| 471 | M | 69.6 | Low | 68.5 | Low | 82 Ų | 82 | 77.4 Ų | 77.4 | 40% | 0.404 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63 | -38 | 177.5 | -166.9 | 62.7 | -178.4 | 0 | 0 | 112.1 | W467 G468 G473 W474 N475 | W467-M471 PolarHBondContact O-N 3.43Å; G468-M471 PolarHBondContact O-N 2.93Å; M471-G473 VanDerWaalsContact C-N 3.3Å; M471-G473 PolarHBondContact O-N 2.76Å; M471-W474 PolarHBondContact O-N 2.87Å; M471-N475 WeakPolarHBondContact O-CB 3.43Å; M471-N475 PolarHBondContact O-N 3.44Å; M471-N475 PolarHBondContact O-ND2 2.91Å |
| 472 | D | 74.4 | Confident | 70.1 | Confident | 12 Ų | 12 | 76.4 Ų | 76.4 | 6% | 0.064 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -58.6 | -42.2 | 171.5 | -78.8 | -19.5 | 0 | 0 | 0 | 111.6 | L454 K455 R464 G468 V470 S476 | L454-D472 WeakPolarHBondContact CA-OD1 3.28Å; L454-D472 HydrophobicContact CD2-CB 4.08Å; L454-D472 WeakPolarHBondContact CD2-O 3.45Å; K455-D472 PolarHBondContact N-OD1 2.96Å; R464-D472 IonicContact CZ-OD2 3.29Å; R464-D472 IonicContact NE-OD2 2.81Å; R464-D472 IonicContact NH2-OD2 3.35Å; R464-D472 PolarHBondContact NH2-OD2 2.87Å; G468-D472 WeakPolarHBondContact O-CB 3.23Å; G468-D472 VanDerWaalsContact O-CG 3.25Å; G468-D472 PolarHBondContact O-N 2.78Å; V470-D472 VanDerWaalsContact C-N 3.32Å; V470-D472 PolarHBondContact O-N 3.49Å; D472-S476 VanDerWaalsContact O-CB 3.27Å; D472-S476 WeakPolarHBondContact O-CB 3.32Å; D472-S476 PolarHBondContact O-N 2.73Å; D472-S476 PolarHBondContact O-OG 2.89Å |
| 473 | G | 73.8 | Confident | 71.7 | Confident | 42 Ų | 42 | 74.9 Ų | 74.9 | 43% | 0.433 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | A469 V470 M471 S476 A477 | A469-G473 PolarHBondContact O-N 2.86Å; A469-G473 VanDerWaalsContact O-N 3.15Å; V470-G473 WeakPolarHBondContact O-CA 3.49Å; V470-G473 PolarHBondContact O-N 2.68Å; V470-G473 VanDerWaalsContact O-N 3.07Å; M471-G473 VanDerWaalsContact C-N 3.3Å; M471-G473 PolarHBondContact O-N 2.76Å; G473-S476 WeakPolarHBondContact O-CB 3.45Å; G473-S476 PolarHBondContact O-N 3.15Å; G473-A477 PolarHBondContact O-N 2.71Å |
| 474 | W | 75.1 | Confident | 73.3 | Confident | 166 Ų | 166 | 67.4 Ų | 67.4 | 63% | 0.629 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.8 | -48.9 | 176 | -174.8 | -101.6 | 0 | 0 | 0 | 112.3 | V470 M471 S476 A477 I478 | V470-W474 PolarHBondContact O-N 2.88Å; M471-W474 PolarHBondContact O-N 2.87Å; W474-S476 VanDerWaalsContact C-N 3.26Å; W474-S476 PolarHBondContact O-N 3.21Å; W474-A477 PolarHBondContact O-N 2.87Å; W474-A477 VanDerWaalsContact O-N 3.13Å; W474-I478 HydrophobicContact CG-CD1 4.47Å; W474-I478 PolarHBondContact O-N 2.83Å |
| 475 | N | 77 | Confident | 74.9 | Confident | 18 Ų | 18 | 65.6 Ų | 65.6 | 10% | 0.096 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.2 | -38.4 | 175.1 | -77.8 | -24.1 | 0 | 0 | 0 | 111.6 | L454 M471 R479 | L454-N475 HydrophobicContact CD2-CB 3.81Å; M471-N475 WeakPolarHBondContact O-CB 3.43Å; M471-N475 PolarHBondContact O-N 3.44Å; M471-N475 PolarHBondContact O-ND2 2.91Å; N475-R479 WeakPolarHBondContact O-CB 3.33Å; N475-R479 PolarHBondContact O-N 3.39Å |
| 476 | S | 78.5 | Confident | 75.9 | Confident | 25 Ų | 25 | 64.5 Ų | 64.5 | 18% | 0.175 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.7 | -38.6 | 176.4 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | D472 G473 W474 R479 Y480 | D472-S476 VanDerWaalsContact O-CB 3.27Å; D472-S476 WeakPolarHBondContact O-CB 3.32Å; D472-S476 PolarHBondContact O-N 2.73Å; D472-S476 PolarHBondContact O-OG 2.89Å; G473-S476 WeakPolarHBondContact O-CB 3.45Å; G473-S476 PolarHBondContact O-N 3.15Å; W474-S476 VanDerWaalsContact C-N 3.26Å; W474-S476 PolarHBondContact O-N 3.21Å; S476-R479 PolarHBondContact O-N 2.84Å; S476-Y480 WeakPolarHBondContact O-CB 3.17Å; S476-Y480 PolarHBondContact O-N 2.96Å |
| 477 | A | 76 | Confident | 76.8 | Confident | 57 Ų | 57 | 58.5 Ų | 58.5 | 47% | 0.471 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.7 | -46.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G473 W474 R479 Y480 Y481 | G473-A477 PolarHBondContact O-N 2.71Å; W474-A477 PolarHBondContact O-N 2.87Å; W474-A477 VanDerWaalsContact O-N 3.13Å; A477-R479 VanDerWaalsContact C-N 3.28Å; A477-R479 PolarHBondContact O-N 3.44Å; A477-Y480 WeakPolarHBondContact O-CB 3.49Å; A477-Y480 PolarHBondContact O-N 3.39Å; A477-Y481 PolarHBondContact O-N 2.84Å |
| 478 | I | 79.1 | Confident | 78.4 | Confident | 54 Ų | 54 | 48.7 Ų | 48.7 | 28% | 0.277 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.1 | -44 | 173.8 | -67.1 | 177.5 | 0 | 0 | 0 | 110.1 | T451 W474 Y480 Y481 K482 | T451-I478 HydrophobicContact CG2-CB 4.04Å; T451-I478 HydrophobicContact CG2-CG2 3.54Å; W474-I478 HydrophobicContact CG-CD1 4.47Å; W474-I478 PolarHBondContact O-N 2.83Å; I478-Y480 VanDerWaalsContact C-N 3.33Å; I478-Y480 PolarHBondContact O-N 3.01Å; I478-Y481 PolarHBondContact O-N 3.31Å; I478-K482 HydrophobicContact CG2-CD 4.01Å; I478-K482 HydrophobicContact CG2-CG 4.16Å; I478-K482 WeakPolarHBondContact O-CG 3.4Å; I478-K482 PolarHBondContact O-N 2.91Å |
| 479 | R | 80.9 | Confident | 79.7 | Confident | 10 Ų | 10 | 51.3 Ų | 51.3 | 4% | 0.038 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 179.4 | -165.2 | -178.9 | -67.1 | 174.3 | -4.4 | 110.7 | A449 T451 G452 N475 S476 A477 K482 N483 | A449-R479 HydrophobicContact CB-CG 4.33Å; T451-R479 HydrophobicContact CG2-CB 3.93Å; T451-R479 HydrophobicContact CG2-CG 4.48Å; T451-R479 PolarHBondContact OG1-NE 2.99Å; T451-R479 PolarHBondContact OG1-NH2 3.16Å; G452-R479 PolarHBondContact O-NH2 3.23Å; N475-R479 WeakPolarHBondContact O-CB 3.33Å; N475-R479 PolarHBondContact O-N 3.39Å; S476-R479 PolarHBondContact O-N 2.84Å; A477-R479 VanDerWaalsContact C-N 3.28Å; A477-R479 PolarHBondContact O-N 3.44Å; R479-K482 PolarHBondContact O-N 3.45Å; R479-N483 WeakPolarHBondContact O-CB 3.33Å; R479-N483 PolarHBondContact O-N 2.95Å; R479-N483 PolarHBondContact O-ND2 3.36Å; R479-N483 PolarHBondContact O-OD1 3.12Å |
| 480 | Y | 83 | Confident | 81 | Confident | 75 Ų | 75 | 51.1 Ų | 51.1 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 173.2 | 173.8 | -92.4 | 0 | 0 | 0 | 111.9 | L269 Y271 S476 A477 I478 N484 | L269-Y480 WeakPolarHBondContact O-CE2 3.5Å; L269-Y480 PolarHBondContact O-OH 3.42Å; Y271-Y480 HydrophobicContact CD2-CD2 4.23Å; S476-Y480 WeakPolarHBondContact O-CB 3.17Å; S476-Y480 PolarHBondContact O-N 2.96Å; A477-Y480 WeakPolarHBondContact O-CB 3.49Å; A477-Y480 PolarHBondContact O-N 3.39Å; I478-Y480 VanDerWaalsContact C-N 3.33Å; I478-Y480 PolarHBondContact O-N 3.01Å; Y480-N484 WeakPolarHBondContact CE2-ND2 3.28Å; Y480-N484 PolarHBondContact O-N 3.08Å; Y480-N484 PolarHBondContact O-ND2 2.89Å |
| 481 | Y | 84.1 | Confident | 82.2 | Confident | 141 Ų | 141 | 46.5 Ų | 46.5 | 55% | 0.553 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -61.8 | -51.9 | 176.8 | 177.9 | -94.9 | 0 | 0 | 0 | 111.6 | A477 I478 N483 N484 F485 | A477-Y481 PolarHBondContact O-N 2.84Å; I478-Y481 PolarHBondContact O-N 3.31Å; Y481-N483 PolarHBondContact O-N 3.47Å; Y481-N484 PolarHBondContact O-N 3.47Å; Y481-F485 HydrophobicContact CD2-CB 4.47Å; Y481-F485 AromaticContact CD2-CD2 3.65Å; Y481-F485 HydrophobicContact CD2-CD2 3.65Å; Y481-F485 HydrophobicContact CD2-CE2 4.38Å; Y481-F485 HydrophobicContact CD2-CG 4.44Å; Y481-F485 HydrophobicContact CE2-CB 4.15Å; Y481-F485 AromaticContact CE2-CD2 3.9Å; Y481-F485 HydrophobicContact CE2-CD2 3.9Å; Y481-F485 HydrophobicContact CE2-CG 4.31Å; Y481-F485 HydrophobicContact CG-CD2 4.29Å; Y481-F485 WeakPolarHBondContact O-CB 3.49Å; Y481-F485 WeakPolarHBondContact O-CD2 3.32Å; Y481-F485 PolarHBondContact O-N 2.88Å |
| 482 | K | 81.4 | Confident | 83.3 | Confident | 61 Ų | 61 | 42.8 Ų | 42.8 | 27% | 0.265 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.5 | -48.4 | -179.3 | -71.8 | -171 | 177.4 | -164.9 | 0 | 112.2 | G450 T451 I478 R479 N484 F485 S486 D487 | G450-K482 PolarHBondContact O-NZ 3.42Å; T451-K482 HydrophobicContact CG2-CD 4.27Å; I478-K482 HydrophobicContact CG2-CD 4.01Å; I478-K482 HydrophobicContact CG2-CG 4.16Å; I478-K482 WeakPolarHBondContact O-CG 3.4Å; I478-K482 PolarHBondContact O-N 2.91Å; R479-K482 PolarHBondContact O-N 3.45Å; K482-N484 PolarHBondContact O-N 3.34Å; K482-N484 VanDerWaalsContact O-N 3.13Å; K482-F485 PolarHBondContact O-N 2.83Å; K482-S486 PolarHBondContact O-N 3.38Å; K482-D487 WeakPolarHBondContact O-CB 3.45Å; K482-D487 PolarHBondContact O-N 2.99Å |
| 483 | N | 84 | Confident | 84.3 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.1 | -30.9 | 179.2 | -71.9 | -19 | 0 | 0 | 0 | 113.9 | Y222 R479 Y481 D487 | Y222-N483 HydrophobicContact CD2-CB 3.71Å; Y222-N483 HydrophobicContact CE2-CB 3.76Å; Y222-N483 VanDerWaalsContact CE2-ND2 3.28Å; Y222-N483 WeakPolarHBondContact CE2-ND2 3.48Å; R479-N483 WeakPolarHBondContact O-CB 3.33Å; R479-N483 PolarHBondContact O-N 2.95Å; R479-N483 PolarHBondContact O-ND2 3.36Å; R479-N483 PolarHBondContact O-OD1 3.12Å; Y481-N483 PolarHBondContact O-N 3.47Å; N483-D487 WeakPolarHBondContact CA-OD2 3.33Å; N483-D487 PolarHBondContact OD1-OD2 3.24Å |
| 484 | N | 82.8 | Confident | 85.3 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -102.8 | -22.3 | -176.3 | -69.9 | -70 | 0 | 0 | 0 | 113.3 | L269 Y480 Y481 K482 V574 D575 | L269-N484 WeakPolarHBondContact CA-OD1 3.46Å; L269-N484 HydrophobicContact CD2-CB 4.14Å; L269-N484 PolarHBondContact N-OD1 3.5Å; Y480-N484 WeakPolarHBondContact CE2-ND2 3.28Å; Y480-N484 PolarHBondContact O-N 3.08Å; Y480-N484 PolarHBondContact O-ND2 2.89Å; Y481-N484 PolarHBondContact O-N 3.47Å; K482-N484 PolarHBondContact O-N 3.34Å; K482-N484 VanDerWaalsContact O-N 3.13Å; N484-V574 HydrophobicContact CB-CG2 4.06Å; N484-V574 CarbonylContact O-C 3.57Å; N484-V574 VanDerWaalsContact O-CA 3.27Å; N484-V574 WeakPolarHBondContact O-CA 3.45Å; N484-V574 VanDerWaalsContact O-CG1 3.3Å; N484-V574 WeakPolarHBondContact O-CG1 3.33Å; N484-V574 WeakPolarHBondContact OD1-CG2 3.44Å; N484-D575 PolarHBondContact O-N 3.33Å |
| 485 | F | 85.4 | Confident | 86.2 | Confident | 90 Ų | 90 | 33.2 Ų | 33.2 | 40% | 0.395 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -134.1 | -2.8 | -167.6 | -56.8 | -65.5 | 0 | 0 | 0 | 115.4 | L269 Y481 K482 | L269-F485 HydrophobicContact CD2-CE1 4.14Å; L269-F485 HydrophobicContact CD2-CZ 3.71Å; Y481-F485 HydrophobicContact CD2-CB 4.47Å; Y481-F485 AromaticContact CD2-CD2 3.65Å; Y481-F485 HydrophobicContact CD2-CD2 3.65Å; Y481-F485 HydrophobicContact CD2-CE2 4.38Å; Y481-F485 HydrophobicContact CD2-CG 4.44Å; Y481-F485 HydrophobicContact CE2-CB 4.15Å; Y481-F485 AromaticContact CE2-CD2 3.9Å; Y481-F485 HydrophobicContact CE2-CD2 3.9Å; Y481-F485 HydrophobicContact CE2-CG 4.31Å; Y481-F485 HydrophobicContact CG-CD2 4.29Å; Y481-F485 WeakPolarHBondContact O-CB 3.49Å; Y481-F485 WeakPolarHBondContact O-CD2 3.32Å; Y481-F485 PolarHBondContact O-N 2.88Å; K482-F485 PolarHBondContact O-N 2.83Å |
| 486 | S | 86 | Confident | 87.1 | Confident | 36 Ų | 36 | 32.5 Ų | 32.5 | 25% | 0.252 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -137.2 | -20.9 | -179.7 | 175.6 | 0 | 0 | 0 | 0 | 113.6 | K482 G488 Y489 R490 | K482-S486 PolarHBondContact O-N 3.38Å; S486-G488 VanDerWaalsContact C-N 3.29Å; S486-G488 PolarHBondContact O-N 3.41Å; S486-Y489 PolarHBondContact O-N 2.6Å; S486-R490 WeakPolarHBondContact O-CG 3.29Å; S486-R490 PolarHBondContact O-N 3.14Å; S486-R490 VanDerWaalsContact O-N 3.08Å |
| 487 | D | 87.6 | Confident | 87.9 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.5 | -22.3 | -173.8 | -92.6 | 10.6 | 0 | 0 | 0 | 113.2 | V220 Y223 K482 N483 R490 Q491 | V220-D487 HydrophobicContact CB-CB 4.22Å; V220-D487 HydrophobicContact CG2-CB 3.85Å; Y223-D487 HydrophobicContact CD2-CB 4.27Å; Y223-D487 HydrophobicContact CE2-CB 4.2Å; K482-D487 WeakPolarHBondContact O-CB 3.45Å; K482-D487 PolarHBondContact O-N 2.99Å; N483-D487 WeakPolarHBondContact CA-OD2 3.33Å; N483-D487 PolarHBondContact OD1-OD2 3.24Å; D487-R490 IonicContact OD1-CZ 3.53Å; D487-R490 IonicContact OD1-NH1 3.49Å; D487-R490 PolarHBondContact OD1-NH1 2.88Å; D487-Q491 VanDerWaalsContact O-CB 3.3Å; D487-Q491 WeakPolarHBondContact O-CB 3.43Å; D487-Q491 PolarHBondContact O-N 2.71Å |
| 488 | G | 89.3 | Confident | 88.8 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.5 | -55.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111 | S486 R490 Q491 D492 D575 | S486-G488 VanDerWaalsContact C-N 3.29Å; S486-G488 PolarHBondContact O-N 3.41Å; G488-R490 VanDerWaalsContact C-N 3.29Å; G488-R490 PolarHBondContact O-N 2.79Å; G488-Q491 PolarHBondContact O-N 2.98Å; G488-Q491 VanDerWaalsContact O-N 3.16Å; G488-D492 PolarHBondContact O-N 2.88Å; G488-D575 WeakPolarHBondContact CA-O 3.42Å; G488-D575 VanDerWaalsContact CA-OD2 3.23Å; G488-D575 WeakPolarHBondContact CA-OD2 3.2Å; G488-D575 PolarHBondContact N-O 3.14Å; G488-D575 PolarHBondContact N-OD2 3.24Å |
| 489 | Y | 91.5 | Very high | 89.5 | Confident | 63 Ų | 63 | 27.9 Ų | 27.9 | 25% | 0.247 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.8 | -40.5 | 174.4 | -179.4 | -94.4 | 0 | 0 | 0 | 113 | T116 S119 M120 S486 D492 S493 D575 | T116-Y489 HydrophobicContact CG2-CE2 4.17Å; S119-Y489 VanDerWaalsContact CB-OH 3.3Å; S119-Y489 WeakPolarHBondContact CB-OH 3.43Å; S119-Y489 PolarHBondContact O-OH 2.9Å; S119-Y489 PolarHBondContact OG-OH 2.87Å; M120-Y489 WeakPolarHBondContact CA-OH 3.35Å; M120-Y489 HydrophobicContact CE-CD2 3.69Å; M120-Y489 HydrophobicContact CE-CE2 3.63Å; M120-Y489 HydrophobicContact CG-CD2 4.31Å; M120-Y489 HydrophobicContact CG-CE1 4.31Å; M120-Y489 HydrophobicContact CG-CE2 3.53Å; M120-Y489 WeakPolarHBondContact CG-OH 3.25Å; M120-Y489 PolarHBondContact N-OH 2.76Å; M120-Y489 VanDerWaalsContact N-OH 3.08Å; M120-Y489 HydrophobicContact SD-CE2 4.45Å; S486-Y489 PolarHBondContact O-N 2.6Å; Y489-D492 PolarHBondContact O-N 2.83Å; Y489-S493 WeakPolarHBondContact O-CB 3.23Å; Y489-S493 PolarHBondContact O-N 2.85Å; Y489-S493 PolarHBondContact O-OG 3.47Å; Y489-D575 PolarHBondContact N-OD2 2.98Å |
| 490 | R | 92.4 | Very high | 90 | Very high | 37 Ų | 37 | 31.2 Ų | 31.2 | 14% | 0.14 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.3 | -38.4 | 178.3 | -70.5 | 175.6 | 70.3 | -146.8 | -0.1 | 112.4 | V220 G450 S486 D487 G488 S493 I494 | V220-R490 HydrophobicContact CG1-CB 3.95Å; G450-R490 VanDerWaalsContact CA-NH1 3.34Å; G450-R490 VanDerWaalsContact CA-NH2 3.33Å; S486-R490 WeakPolarHBondContact O-CG 3.29Å; S486-R490 PolarHBondContact O-N 3.14Å; S486-R490 VanDerWaalsContact O-N 3.08Å; D487-R490 IonicContact OD1-CZ 3.53Å; D487-R490 IonicContact OD1-NH1 3.49Å; D487-R490 PolarHBondContact OD1-NH1 2.88Å; G488-R490 VanDerWaalsContact C-N 3.29Å; G488-R490 PolarHBondContact O-N 2.79Å; R490-S493 WeakPolarHBondContact O-CB 3.09Å; R490-S493 PolarHBondContact O-N 3.4Å; R490-I494 WeakPolarHBondContact O-CG1 3.38Å; R490-I494 PolarHBondContact O-N 3.45Å; R490-I494 VanDerWaalsContact O-N 3.08Å |
| 491 | Q | 93.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.2 | -47.9 | 175.7 | -177.7 | 59.2 | 46.4 | 0 | 0 | 110.5 | V220 D487 G488 S493 I494 D495 P577 | V220-Q491 HydrophobicContact CG2-CB 4Å; D487-Q491 VanDerWaalsContact O-CB 3.3Å; D487-Q491 WeakPolarHBondContact O-CB 3.43Å; D487-Q491 PolarHBondContact O-N 2.71Å; G488-Q491 PolarHBondContact O-N 2.98Å; G488-Q491 VanDerWaalsContact O-N 3.16Å; Q491-S493 PolarHBondContact O-N 3.22Å; Q491-I494 PolarHBondContact O-N 3.18Å; Q491-I494 VanDerWaalsContact O-N 3.08Å; Q491-D495 WeakPolarHBondContact CG-OD2 3.38Å; Q491-D495 VanDerWaalsContact NE2-CG 3.31Å; Q491-D495 PolarHBondContact NE2-OD1 3.47Å; Q491-D495 PolarHBondContact NE2-OD2 2.85Å; Q491-D495 PolarHBondContact O-N 3.33Å; Q491-P577 HydrophobicContact CB-CB 4.09Å; Q491-P577 HydrophobicContact CG-CB 3.99Å; Q491-P577 HydrophobicContact CG-CG 4.29Å |
| 492 | D | 93.8 | Very high | 90.5 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.7 | -39.1 | 174.7 | -74.2 | -24.5 | 0 | 0 | 0 | 111.8 | M120 G488 Y489 D495 L496 P577 K578 L579 | M120-D492 HydrophobicContact CE-CB 3.77Å; M120-D492 HydrophobicContact SD-CB 4.31Å; G488-D492 PolarHBondContact O-N 2.88Å; Y489-D492 PolarHBondContact O-N 2.83Å; D492-D495 PolarHBondContact O-N 3.26Å; D492-L496 WeakPolarHBondContact O-CB 3.37Å; D492-L496 PolarHBondContact O-N 3.13Å; D492-P577 WeakPolarHBondContact OD1-CA 3.29Å; D492-P577 VanDerWaalsContact OD1-CB 3.3Å; D492-P577 WeakPolarHBondContact OD1-CB 3.16Å; D492-K578 VanDerWaalsContact CG-N 3.3Å; D492-K578 PolarHBondContact OD1-N 3.18Å; D492-K578 PolarHBondContact OD2-N 3.35Å; D492-L579 HydrophobicContact CB-CB 4.44Å; D492-L579 HydrophobicContact CB-CD1 3.75Å; D492-L579 HydrophobicContact CB-CG 3.86Å; D492-L579 WeakPolarHBondContact OD1-CB 3.43Å; D492-L579 PolarHBondContact OD1-N 3.25Å |
| 493 | S | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.9 | -43.9 | 176 | -54.9 | 0 | 0 | 0 | 0 | 112.6 | M120 V124 Y489 R490 Q491 F497 | M120-S493 WeakPolarHBondContact CB-OG 3.5Å; M120-S493 WeakPolarHBondContact CG-OG 3.45Å; M120-S493 WeakPolarHBondContact O-CB 3.22Å; V124-S493 WeakPolarHBondContact CG2-O 3.23Å; Y489-S493 WeakPolarHBondContact O-CB 3.23Å; Y489-S493 PolarHBondContact O-N 2.85Å; Y489-S493 PolarHBondContact O-OG 3.47Å; R490-S493 WeakPolarHBondContact O-CB 3.09Å; R490-S493 PolarHBondContact O-N 3.4Å; Q491-S493 PolarHBondContact O-N 3.22Å; S493-F497 WeakPolarHBondContact O-CB 3.32Å; S493-F497 PolarHBondContact O-N 3.43Å |
| 494 | I | 94.9 | Very high | 90.1 | Very high | 14 Ų | 14 | 28.1 Ų | 28.1 | 7% | 0.072 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65 | -44.4 | 176.5 | -68.7 | 166.2 | 0 | 0 | 0 | 110.2 | A218 V220 R490 Q491 L496 F497 L498 | A218-I494 HydrophobicContact CB-CG2 4.24Å; V220-I494 HydrophobicContact CG1-CD1 4.26Å; R490-I494 WeakPolarHBondContact O-CG1 3.38Å; R490-I494 PolarHBondContact O-N 3.45Å; R490-I494 VanDerWaalsContact O-N 3.08Å; Q491-I494 PolarHBondContact O-N 3.18Å; Q491-I494 VanDerWaalsContact O-N 3.08Å; I494-L496 PolarHBondContact O-N 2.94Å; I494-F497 PolarHBondContact O-N 2.85Å; I494-L498 HydrophobicContact CG2-CD1 3.6Å; I494-L498 HydrophobicContact CG2-CG 4.2Å; I494-L498 WeakPolarHBondContact O-CB 3.4Å; I494-L498 WeakPolarHBondContact O-CG 3.34Å; I494-L498 PolarHBondContact O-N 3.44Å |
| 495 | D | 94.4 | Very high | 89.1 | Confident | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.027 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.6 | -38.7 | -178 | -73.9 | -35.9 | 0 | 0 | 0 | 112.4 | Q491 D492 G499 N500 Y501 V580 | Q491-D495 WeakPolarHBondContact CG-OD2 3.38Å; Q491-D495 VanDerWaalsContact NE2-CG 3.31Å; Q491-D495 PolarHBondContact NE2-OD1 3.47Å; Q491-D495 PolarHBondContact NE2-OD2 2.85Å; Q491-D495 PolarHBondContact O-N 3.33Å; D492-D495 PolarHBondContact O-N 3.26Å; D495-G499 PolarHBondContact O-N 3.39Å; D495-G499 VanDerWaalsContact O-N 3.16Å; D495-N500 HydrophobicContact CB-CB 3.93Å; D495-N500 PolarHBondContact O-N 3.43Å; D495-N500 PolarHBondContact OD1-ND2 3Å; D495-Y501 PolarHBondContact O-N 2.89Å; D495-V580 HydrophobicContact CB-CG2 3.67Å |
| 496 | L | 94.8 | Very high | 87.8 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.4 | -47.6 | 171.9 | -178.2 | 73.4 | 0 | 0 | 0 | 111.5 | L65 F117 M120 I121 D492 I494 L498 G499 Y501 V503 L579 | L65-L496 HydrophobicContact CD2-CD1 4.48Å; L65-L496 HydrophobicContact CD2-CD2 4.41Å; F117-L496 HydrophobicContact CB-CD2 4.23Å; F117-L496 HydrophobicContact CD1-CD1 3.86Å; F117-L496 HydrophobicContact CD1-CD2 3.66Å; F117-L496 HydrophobicContact CD1-CG 4.37Å; F117-L496 HydrophobicContact CE1-CD1 4.13Å; F117-L496 HydrophobicContact CG-CD2 4.43Å; M120-L496 HydrophobicContact CB-CD2 3.9Å; M120-L496 HydrophobicContact SD-CD2 4.38Å; I121-L496 HydrophobicContact CD1-CD2 3.61Å; I121-L496 HydrophobicContact CD1-CG 3.83Å; I121-L496 HydrophobicContact CG1-CD2 3.76Å; I121-L496 HydrophobicContact CG1-CG 4.46Å; D492-L496 WeakPolarHBondContact O-CB 3.37Å; D492-L496 PolarHBondContact O-N 3.13Å; I494-L496 PolarHBondContact O-N 2.94Å; L496-L498 PolarHBondContact O-N 3.34Å; L496-G499 PolarHBondContact O-N 2.96Å; L496-Y501 HydrophobicContact CD1-CD1 3.99Å; L496-V503 HydrophobicContact CD1-CG2 4.27Å; L496-L579 HydrophobicContact CB-CD1 4.27Å |
| 497 | F | 96.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.4 | -39.5 | -177 | -174.1 | -91.8 | 0 | 0 | 0 | 112.8 | M60 I121 V124 L125 W167 L171 S493 I494 G499 | M60-F497 HydrophobicContact CE-CZ 3.8Å; I121-F497 HydrophobicContact CD1-CB 4.19Å; I121-F497 HydrophobicContact CD1-CD2 4.08Å; V124-F497 HydrophobicContact CB-CB 4.17Å; V124-F497 HydrophobicContact CB-CD2 4.01Å; V124-F497 HydrophobicContact CB-CG 4.03Å; V124-F497 HydrophobicContact CG1-CB 4.03Å; V124-F497 HydrophobicContact CG1-CD1 3.73Å; V124-F497 HydrophobicContact CG1-CD2 3.89Å; V124-F497 HydrophobicContact CG1-CE1 4.12Å; V124-F497 HydrophobicContact CG1-CE2 4.28Å; V124-F497 HydrophobicContact CG1-CG 3.6Å; V124-F497 HydrophobicContact CG1-CZ 4.38Å; V124-F497 HydrophobicContact CG2-CB 3.96Å; V124-F497 HydrophobicContact CG2-CG 4.37Å; L125-F497 HydrophobicContact CD2-CE2 3.67Å; L125-F497 HydrophobicContact CD2-CZ 4.14Å; L125-F497 HydrophobicContact CG-CE2 4.16Å; W167-F497 VanDerWaalsContact O-CE1 3.24Å; W167-F497 WeakPolarHBondContact O-CE1 3.24Å; L171-F497 HydrophobicContact CD1-CD1 4.42Å; L171-F497 HydrophobicContact CD1-CD2 4.17Å; L171-F497 HydrophobicContact CD1-CE1 3.97Å; L171-F497 HydrophobicContact CD1-CE2 3.67Å; L171-F497 HydrophobicContact CD1-CZ 3.56Å; S493-F497 WeakPolarHBondContact O-CB 3.32Å; S493-F497 PolarHBondContact O-N 3.43Å; I494-F497 PolarHBondContact O-N 2.85Å; F497-G499 VanDerWaalsContact C-N 3.31Å |
| 498 | L | 95.4 | Very high | 85 | Confident | 22 Ų | 22 | 45 Ų | 45 | 12% | 0.115 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -4.8 | 179.4 | -63.3 | -178.7 | 0 | 0 | 0 | 113.4 | W167 C215 A218 I494 L496 | W167-L498 HydrophobicContact CD2-CD2 4.23Å; W167-L498 HydrophobicContact CE3-CD2 3.92Å; W167-L498 HydrophobicContact CH2-CD1 4.5Å; W167-L498 HydrophobicContact CZ3-CD1 4.41Å; W167-L498 HydrophobicContact CZ3-CD2 4.34Å; W167-L498 WeakPolarHBondContact O-CD2 3.5Å; C215-L498 HydrophobicContact CB-CD1 4.27Å; C215-L498 HydrophobicContact CB-CD2 3.83Å; C215-L498 WeakPolarHBondContact O-CD1 3.48Å; A218-L498 HydrophobicContact CB-CD1 3.73Å; I494-L498 HydrophobicContact CG2-CD1 3.6Å; I494-L498 HydrophobicContact CG2-CG 4.2Å; I494-L498 WeakPolarHBondContact O-CB 3.4Å; I494-L498 WeakPolarHBondContact O-CG 3.34Å; I494-L498 PolarHBondContact O-N 3.44Å; L496-L498 PolarHBondContact O-N 3.34Å |
| 499 | G | 92.9 | Very high | 83.8 | Confident | 16 Ų | 16 | 51.9 Ų | 51.9 | 17% | 0.165 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 22.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | H170 D495 L496 F497 Y501 | H170-G499 WeakPolarHBondContact CD2-CA 3.02Å; H170-G499 PolarHBondContact CD2-N 2.75Å; H170-G499 VanDerWaalsContact CG-CA 3.48Å; H170-G499 WeakPolarHBondContact NE2-CA 3.4Å; D495-G499 PolarHBondContact O-N 3.39Å; D495-G499 VanDerWaalsContact O-N 3.16Å; L496-G499 PolarHBondContact O-N 2.96Å; F497-G499 VanDerWaalsContact C-N 3.31Å; G499-Y501 VanDerWaalsContact C-N 3.26Å |
| 500 | N | 91.3 | Very high | 82.6 | Confident | 80 Ų | 80 | 49.6 Ų | 49.6 | 43% | 0.428 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -71 | -27.7 | 168.6 | -65.2 | -29.5 | 0 | 0 | 0 | 111.2 | D495 V580 | D495-N500 HydrophobicContact CB-CB 3.93Å; D495-N500 PolarHBondContact O-N 3.43Å; D495-N500 PolarHBondContact OD1-ND2 3Å; N500-V580 HydrophobicContact CB-CG2 4.19Å |
| 501 | Y | 90.4 | Very high | 81.8 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 14% | 0.137 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -122.1 | 130.6 | 166.2 | 178.7 | -93.5 | 0 | 0 | 0 | 108.8 | F117 D495 L496 G499 V503 P511 L579 | F117-Y501 HydrophobicContact CE1-CD1 4.38Å; F117-Y501 AromaticContact CE1-CE1 3.85Å; F117-Y501 HydrophobicContact CE1-CE1 3.85Å; F117-Y501 AromaticContact CZ-CE1 3.98Å; F117-Y501 HydrophobicContact CZ-CE1 3.98Å; D495-Y501 PolarHBondContact O-N 2.89Å; L496-Y501 HydrophobicContact CD1-CD1 3.99Å; G499-Y501 VanDerWaalsContact C-N 3.26Å; Y501-V503 HydrophobicContact CE1-CG2 3.97Å; Y501-P511 HydrophobicContact CE2-CG 4.13Å; Y501-P511 WeakPolarHBondContact OH-CD 3.44Å; Y501-L579 HydrophobicContact CD1-CB 4.25Å; Y501-L579 HydrophobicContact CD1-CD1 3.91Å; Y501-L579 HydrophobicContact CD1-CD2 4.12Å; Y501-L579 HydrophobicContact CD1-CG 4.32Å; Y501-L579 HydrophobicContact CD2-CB 3.91Å; Y501-L579 HydrophobicContact CD2-CD2 4.49Å; Y501-L579 VanDerWaalsContact CD2-O 3.24Å; Y501-L579 WeakPolarHBondContact CD2-O 3.17Å; Y501-L579 HydrophobicContact CE1-CD1 4.42Å; Y501-L579 HydrophobicContact CE1-CD2 3.91Å; Y501-L579 HydrophobicContact CE2-CB 4.45Å; Y501-L579 HydrophobicContact CE2-CD2 4.29Å; Y501-L579 HydrophobicContact CG-CB 3.78Å; Y501-L579 HydrophobicContact CG-CD1 4.22Å; Y501-L579 HydrophobicContact CG-CD2 4.41Å; Y501-L579 HydrophobicContact CG-CG 4.36Å |
| 502 | A | 86.2 | Confident | 81 | Confident | 62 Ų | 62 | 51.4 Ų | 51.4 | 51% | 0.512 | 28% | 0.276 | S | S | . | . | trans | -119.9 | 139.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | D504 | A502-D504 PolarHBondContact O-N 3.21Š| ||
| 503 | V | 84.2 | Confident | 79.7 | Confident | 20 Ų | 20 | 55.6 Ų | 55.6 | 12% | 0.121 | 30% | 0.295 | C | S | . | . | trans | -80.6 | 111.9 | 176.3 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | P66 F117 L496 Y501 | P66-V503 HydrophobicContact CG-CG1 4Å; F117-V503 HydrophobicContact CE1-CG2 4.27Å; F117-V503 HydrophobicContact CE2-CG2 4.42Å; F117-V503 HydrophobicContact CZ-CG2 4.23Å; L496-V503 HydrophobicContact CD1-CG2 4.27Å; Y501-V503 HydrophobicContact CE1-CG2 3.97Å | ||
| 504 | D | 73.4 | Confident | 78.3 | Confident | 100 Ų | 100 | 61 Ų | 61 | 54% | 0.535 | 33% | 0.325 | S | S | . | . | trans | -88.4 | 150.5 | 173.5 | -156.4 | -27.1 | 0 | 0 | 0 | 110.8 | A502 A506 | A502-D504 PolarHBondContact O-N 3.21Å; D504-A506 PolarHBondContact O-N 3Å; D504-A506 PolarHBondContact OD1-N 3.25Å | ||
| 505 | E | 62.6 | Low | 76.6 | Confident | 130 Ų | 130 | 65.7 Ų | 65.7 | 61% | 0.607 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -66.2 | -29 | 171.9 | -70.4 | -172.8 | 156.4 | 0 | 0 | 112.3 | R64 W508 | R64-E505 IonicContact CZ-OE1 3.43Å; R64-E505 IonicContact NH1-OE1 2.68Å; R64-E505 IonicContact NH2-OE1 3.74Å; R64-E505 PolarHBondContact NH2-OE1 3.24Å; E505-W508 WeakPolarHBondContact O-CZ2 3.48Å; E505-W508 PolarHBondContact O-NE1 3.36Å |
| 506 | A | 58.3 | Low | 75.2 | Confident | 52 Ų | 52 | 71.7 Ų | 71.7 | 43% | 0.43 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -85.4 | -15.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D504 W508 | D504-A506 PolarHBondContact O-N 3Å; D504-A506 PolarHBondContact OD1-N 3.25Å; A506-W508 WeakPolarHBondContact O-CZ3 3.42Å; A506-W508 PolarHBondContact O-N 3.44Å |
| 507 | D | 57.7 | Low | 73.9 | Confident | 113 Ų | 113 | 75.3 Ų | 75.3 | 60% | 0.604 | 40% | 0.401 | S | S | * | . | trans | -99.3 | 81.9 | -178.1 | -79.3 | -23.1 | 0 | 0 | 0 | 110.7 | I509 | D507-I509 PolarHBondContact O-N 2.98Š| ||
| 508 | W | 57.2 | Low | 72.7 | Confident | 189 Ų | 189 | 83.9 Ų | 83.9 | 72% | 0.716 | 43% | 0.433 | S | S | * | . | trans | -73.7 | -9.6 | -179 | -60.6 | -75.2 | 0 | 0 | 0 | 114.7 | E505 A506 | E505-W508 WeakPolarHBondContact O-CZ2 3.48Å; E505-W508 PolarHBondContact O-NE1 3.36Å; A506-W508 WeakPolarHBondContact O-CZ3 3.42Å; A506-W508 PolarHBondContact O-N 3.44Å | ||
| 509 | I | 62.4 | Low | 71.4 | Confident | 143 Ų | 143 | 87.8 Ų | 87.8 | 73% | 0.733 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -102.4 | 103.7 | 175.4 | -57.1 | 173.3 | 0 | 0 | 0 | 107.7 | D507 | D507-I509 PolarHBondContact O-N 2.98Š|
| 510 | T | 68.1 | Low | 70.4 | Confident | 16 Ų | 16 | 89.5 Ų | 89.5 | 10% | 0.098 | 45% | 0.452 | C | S | . | . | trans | -75.7 | 140.3 | 177.4 | 62.8 | 0 | 0 | 0 | 0 | 110.4 | D113 F117 L512 Q513 | D113-T510 HydrophobicContact CB-CG2 4.21Å; D113-T510 VanDerWaalsContact CG-OG1 3.26Å; D113-T510 WeakPolarHBondContact OD2-CB 3.34Å; D113-T510 WeakPolarHBondContact OD2-CG2 3.43Å; D113-T510 PolarHBondContact OD2-OG1 3.07Å; F117-T510 HydrophobicContact CE2-CG2 4.24Å; T510-L512 PolarHBondContact O-N 2.99Å; T510-Q513 PolarHBondContact O-N 2.98Å | ||
| 511 | P | 74.4 | Confident | 69.6 | Low | 51 Ų | 51 | 91.6 Ų | 91.6 | 33% | 0.331 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -60.9 | -10.4 | 174.3 | -23.2 | 33.1 | 0 | 0 | 0 | 114.1 | Y501 Q513 K578 | Y501-P511 HydrophobicContact CE2-CG 4.13Å; Y501-P511 WeakPolarHBondContact OH-CD 3.44Å; P511-Q513 VanDerWaalsContact C-N 3.27Å; P511-Q513 PolarHBondContact O-N 3.15Å; P511-K578 WeakPolarHBondContact CB-O 3.09Å |
| 512 | L | 77.5 | Confident | 69.2 | Low | 24 Ų | 24 | 92.3 Ų | 92.3 | 13% | 0.126 | 47% | 0.471 | C | S | . | . | G | 310 helix | trans | -68.6 | -26.3 | -179.3 | -62.8 | 178.3 | 0 | 0 | 0 | 112.7 | T116 F117 M120 T510 D514 K578 L579 | T116-L512 HydrophobicContact CG2-CD1 4.01Å; F117-L512 HydrophobicContact CD2-CD1 4.46Å; F117-L512 HydrophobicContact CE1-CD1 4.26Å; F117-L512 HydrophobicContact CE2-CD1 3.93Å; F117-L512 HydrophobicContact CZ-CD1 3.82Å; F117-L512 HydrophobicContact CZ-CG 4.45Å; M120-L512 HydrophobicContact CE-CD2 3.95Å; T510-L512 PolarHBondContact O-N 2.99Å; L512-D514 PolarHBondContact O-N 3.13Å; L512-D514 VanDerWaalsContact O-N 3.14Å; L512-K578 HydrophobicContact CD2-CD 4.38Å; L512-K578 PolarHBondContact O-NZ 2.76Å; L512-L579 HydrophobicContact CD2-CD2 3.9Å; L512-L579 HydrophobicContact CG-CD2 4.19Å |
| 513 | Q | 66.2 | Low | 69.2 | Low | 92 Ų | 92 | 91 Ų | 91 | 43% | 0.43 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -79.1 | 15.3 | -171.9 | -65 | -176.6 | -6.5 | 0 | 0 | 115.3 | T510 P511 P515 | T510-Q513 PolarHBondContact O-N 2.98Å; P511-Q513 VanDerWaalsContact C-N 3.27Å; P511-Q513 PolarHBondContact O-N 3.15Å; Q513-P515 WeakPolarHBondContact O-CD 3.45Å; Q513-P515 VanDerWaalsContact O-N 3.07Å |
| 514 | D | 65.3 | Low | 69.2 | Low | 115 Ų | 115 | 92.1 Ų | 92.1 | 62% | 0.615 | 46% | 0.463 | S | S | * | . | trans | -59.8 | 110.4 | -178.9 | -159.2 | 7.5 | 0 | 0 | 0 | 111.8 | L512 K516 | L512-D514 PolarHBondContact O-N 3.13Å; L512-D514 VanDerWaalsContact O-N 3.14Å; D514-K516 PolarHBondContact O-N 3Å | ||
| 515 | P | 60.1 | Low | 69.8 | Low | 111 Ų | 111 | 91.7 Ų | 91.7 | 72% | 0.721 | 46% | 0.459 | S | S | * | . | trans | -71.2 | 115.8 | -176.2 | 27.6 | -31.5 | 0 | 0 | 0 | 109.6 | Q513 D517 | Q513-P515 WeakPolarHBondContact O-CD 3.45Å; Q513-P515 VanDerWaalsContact O-N 3.07Å; P515-D517 PolarHBondContact O-N 2.87Å | ||
| 516 | K | 64.1 | Low | 71.1 | Confident | 132 Ų | 132 | 89 Ų | 89 | 57% | 0.574 | 45% | 0.452 | S | S | * | . | trans | -65.2 | 129.7 | 176.7 | -68.6 | -173.6 | 177.3 | -176.1 | 0 | 110.3 | D514 F520 | D514-K516 PolarHBondContact O-N 3Å; K516-F520 HydrophobicContact CB-CB 4.38Å; K516-F520 HydrophobicContact CB-CD2 4.4Å; K516-F520 HydrophobicContact CD-CD1 4.33Å; K516-F520 HydrophobicContact CD-CD2 4.17Å; K516-F520 HydrophobicContact CD-CE1 4.37Å; K516-F520 HydrophobicContact CD-CE2 4.07Å; K516-F520 HydrophobicContact CD-CG 4.25Å; K516-F520 HydrophobicContact CD-CZ 4.24Å; K516-F520 HydrophobicContact CG-CD2 4.42Å | ||
| 517 | D | 67.8 | Low | 72.5 | Confident | 78 Ų | 78 | 89.5 Ų | 89.5 | 42% | 0.417 | 45% | 0.446 | S | S | . | . | trans | -54 | 139.1 | 174.7 | -167.7 | -3.9 | 0 | 0 | 0 | 110.4 | P515 K519 F520 | P515-D517 PolarHBondContact O-N 2.87Å; D517-K519 PolarHBondContact O-N 2.98Å; D517-K519 IonicContact OD2-NZ 2.76Å; D517-K519 PolarHBondContact OD2-NZ 3.5Å; D517-F520 WeakPolarHBondContact O-CB 2.73Å; D517-F520 PolarHBondContact O-N 3.39Å | ||
| 518 | W | 70.6 | Confident | 74.1 | Confident | 180 Ų | 180 | 88.1 Ų | 88.1 | 68% | 0.682 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -55 | -28.1 | -176.8 | 67.1 | -70.8 | 0 | 0 | 0 | 112.8 | F520 L521 T522 | W518-F520 PolarHBondContact O-N 2.97Å; W518-L521 PolarHBondContact O-N 3.39Å; W518-L521 VanDerWaalsContact O-N 3.13Å; W518-T522 HydrophobicContact CE3-CG2 3.8Å; W518-T522 HydrophobicContact CZ3-CG2 4.33Å; W518-T522 WeakPolarHBondContact O-CG2 3.24Å; W518-T522 PolarHBondContact O-N 3.27Å; W518-T522 PolarHBondContact O-OG1 2.93Å; W518-T522 VanDerWaalsContact O-OG1 3.11Å |
| 519 | K | 68.6 | Low | 75.7 | Confident | 104 Ų | 104 | 82.6 Ų | 82.6 | 45% | 0.452 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -55.4 | -31.6 | 173.8 | -60 | -178.4 | -162.8 | 119.4 | 0 | 113.2 | D517 L521 T522 L523 | D517-K519 PolarHBondContact O-N 2.98Å; D517-K519 IonicContact OD2-NZ 2.76Å; D517-K519 PolarHBondContact OD2-NZ 3.5Å; K519-L521 VanDerWaalsContact C-N 3.3Å; K519-L521 PolarHBondContact O-N 3.43Å; K519-T522 WeakPolarHBondContact CA-OG1 3.37Å; K519-L523 HydrophobicContact CB-CD1 4.41Å; K519-L523 WeakPolarHBondContact O-CB 3.44Å; K519-L523 WeakPolarHBondContact O-CG 3.38Å; K519-L523 PolarHBondContact O-N 3.09Å |
| 520 | F | 71.6 | Confident | 77.1 | Confident | 52 Ų | 52 | 75.8 Ų | 75.8 | 23% | 0.228 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.5 | -35.8 | 180 | -149.1 | -63.5 | 0 | 0 | 0 | 111.6 | K516 D517 W518 P524 D572 F573 | K516-F520 HydrophobicContact CB-CB 4.38Å; K516-F520 HydrophobicContact CB-CD2 4.4Å; K516-F520 HydrophobicContact CD-CD1 4.33Å; K516-F520 HydrophobicContact CD-CD2 4.17Å; K516-F520 HydrophobicContact CD-CE1 4.37Å; K516-F520 HydrophobicContact CD-CE2 4.07Å; K516-F520 HydrophobicContact CD-CG 4.25Å; K516-F520 HydrophobicContact CD-CZ 4.24Å; K516-F520 HydrophobicContact CG-CD2 4.42Å; D517-F520 WeakPolarHBondContact O-CB 2.73Å; D517-F520 PolarHBondContact O-N 3.39Å; W518-F520 PolarHBondContact O-N 2.97Å; F520-P524 WeakPolarHBondContact O-CD 3.49Å; F520-P524 VanDerWaalsContact O-CG 3.3Å; F520-P524 WeakPolarHBondContact O-CG 3.48Å; F520-D572 WeakPolarHBondContact CE2-O 3.48Å; F520-D572 VanDerWaalsContact CZ-O 3.24Å; F520-D572 WeakPolarHBondContact CZ-O 3.5Å; F520-F573 AromaticContact CD1-CD1 3.96Å; F520-F573 HydrophobicContact CD1-CD1 3.96Å; F520-F573 HydrophobicContact CD1-CE1 4.28Å; F520-F573 HydrophobicContact CE1-CD1 4.07Å; F520-F573 HydrophobicContact CG-CD1 4.31Å; F520-F573 HydrophobicContact CG-CE1 4.37Å; F520-F573 VanDerWaalsContact CZ-CA 3.42Å |
| 521 | L | 75.9 | Confident | 78.2 | Confident | 124 Ų | 124 | 80.4 Ų | 80.4 | 65% | 0.649 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -88.2 | -41.1 | -179.7 | -172.4 | 64.9 | 0 | 0 | 0 | 111.4 | W518 K519 I525 | W518-L521 PolarHBondContact O-N 3.39Å; W518-L521 VanDerWaalsContact O-N 3.13Å; K519-L521 VanDerWaalsContact C-N 3.3Å; K519-L521 PolarHBondContact O-N 3.43Å; L521-I525 HydrophobicContact CD1-CD1 4.07Å; L521-I525 HydrophobicContact CG-CD1 3.87Å; L521-I525 VanDerWaalsContact O-CD1 3.27Å; L521-I525 WeakPolarHBondContact O-CD1 3.41Å; L521-I525 WeakPolarHBondContact O-CG1 3.14Å |
| 522 | T | 82.1 | Confident | 79 | Confident | 50 Ų | 50 | 80.6 Ų | 80.6 | 31% | 0.307 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -72.1 | -44.1 | -173 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | W518 K519 I525 V526 | W518-T522 HydrophobicContact CE3-CG2 3.8Å; W518-T522 HydrophobicContact CZ3-CG2 4.33Å; W518-T522 WeakPolarHBondContact O-CG2 3.24Å; W518-T522 PolarHBondContact O-N 3.27Å; W518-T522 PolarHBondContact O-OG1 2.93Å; W518-T522 VanDerWaalsContact O-OG1 3.11Å; K519-T522 WeakPolarHBondContact CA-OG1 3.37Å; T522-I525 PolarHBondContact O-N 3.26Å; T522-V526 VanDerWaalsContact O-CG2 3.29Å; T522-V526 WeakPolarHBondContact O-CG2 3.33Å; T522-V526 PolarHBondContact O-N 2.84Å |
| 523 | L | 84.8 | Confident | 79.6 | Confident | 36 Ų | 36 | 83 Ų | 83 | 19% | 0.188 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63.2 | -44.6 | -174.8 | -70.1 | 172.5 | 0 | 0 | 0 | 113.4 | K519 V526 M527 I566 F573 | K519-L523 HydrophobicContact CB-CD1 4.41Å; K519-L523 WeakPolarHBondContact O-CB 3.44Å; K519-L523 WeakPolarHBondContact O-CG 3.38Å; K519-L523 PolarHBondContact O-N 3.09Å; L523-V526 PolarHBondContact O-N 2.98Å; L523-M527 WeakPolarHBondContact O-CB 3.18Å; L523-M527 PolarHBondContact O-N 3.3Å; L523-I566 HydrophobicContact CB-CD1 4.26Å; L523-I566 HydrophobicContact CB-CG1 4.02Å; L523-F573 HydrophobicContact CB-CZ 4.1Å; L523-F573 HydrophobicContact CD1-CE2 4.44Å; L523-F573 HydrophobicContact CD1-CZ 3.87Å |
| 524 | P | 84.8 | Confident | 80.7 | Confident | 42 Ų | 42 | 79.5 Ų | 79.5 | 27% | 0.273 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 174.4 | -24.2 | 36.3 | 0 | 0 | 0 | 113.1 | F520 M527 V528 I566 F573 | F520-P524 WeakPolarHBondContact O-CD 3.49Å; F520-P524 VanDerWaalsContact O-CG 3.3Å; F520-P524 WeakPolarHBondContact O-CG 3.48Å; P524-M527 PolarHBondContact O-N 2.75Å; P524-V528 WeakPolarHBondContact O-CG2 3.41Å; P524-V528 PolarHBondContact O-N 2.81Å; P524-I566 HydrophobicContact CG-CD1 4.5Å; P524-F573 HydrophobicContact CG-CD1 4.28Å; P524-F573 HydrophobicContact CG-CE1 3.84Å |
| 525 | I | 86.5 | Confident | 81.8 | Confident | 91 Ų | 91 | 77.3 Ų | 77.3 | 47% | 0.467 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.3 | -48.6 | 177 | -68.6 | 170.9 | 0 | 0 | 0 | 110.1 | L521 T522 M527 V528 V529 | L521-I525 HydrophobicContact CD1-CD1 4.07Å; L521-I525 HydrophobicContact CG-CD1 3.87Å; L521-I525 VanDerWaalsContact O-CD1 3.27Å; L521-I525 WeakPolarHBondContact O-CD1 3.41Å; L521-I525 WeakPolarHBondContact O-CG1 3.14Å; T522-I525 PolarHBondContact O-N 3.26Å; I525-M527 VanDerWaalsContact C-N 3.29Å; I525-M527 PolarHBondContact O-N 2.8Å; I525-V528 PolarHBondContact O-N 3.32Å; I525-V529 HydrophobicContact CG2-CG2 4.36Å; I525-V529 VanDerWaalsContact O-CG2 3.31Å; I525-V529 WeakPolarHBondContact O-CG2 3.29Å; I525-V529 PolarHBondContact O-N 3.1Å |
| 526 | V | 89.2 | Confident | 83.2 | Confident | 75 Ų | 75 | 75.8 Ų | 75.8 | 46% | 0.455 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60 | -41.5 | 177.8 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | T522 L523 V529 A530 T562 | T522-V526 VanDerWaalsContact O-CG2 3.29Å; T522-V526 WeakPolarHBondContact O-CG2 3.33Å; T522-V526 PolarHBondContact O-N 2.84Å; L523-V526 PolarHBondContact O-N 2.98Å; V526-V529 PolarHBondContact O-N 3.4Å; V526-A530 VanDerWaalsContact O-CB 3.23Å; V526-A530 WeakPolarHBondContact O-CB 3.3Å; V526-A530 PolarHBondContact O-N 3.43Å; V526-T562 HydrophobicContact CG1-CG2 3.9Å |
| 527 | M | 88.6 | Confident | 84.3 | Confident | 61 Ų | 61 | 70.6 Ų | 70.6 | 30% | 0.3 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 177.4 | -174 | -169.7 | 70.9 | 0 | 0 | 112.2 | L523 P524 I525 A530 F531 I566 | L523-M527 WeakPolarHBondContact O-CB 3.18Å; L523-M527 PolarHBondContact O-N 3.3Å; P524-M527 PolarHBondContact O-N 2.75Å; I525-M527 VanDerWaalsContact C-N 3.29Å; I525-M527 PolarHBondContact O-N 2.8Å; M527-A530 PolarHBondContact O-N 2.9Å; M527-F531 VanDerWaalsContact O-CB 3.27Å; M527-F531 WeakPolarHBondContact O-CB 3.35Å; M527-F531 PolarHBondContact O-N 3.45Å; M527-I566 HydrophobicContact CB-CD1 4.21Å; M527-I566 HydrophobicContact CE-CD1 4.47Å; M527-I566 HydrophobicContact SD-CD1 3.84Å |
| 528 | V | 89.6 | Confident | 85.1 | Confident | 84 Ų | 84 | 72.5 Ų | 72.5 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63 | -47.5 | 177.9 | 170.2 | 0 | 0 | 0 | 0 | 110.3 | P524 I525 A530 F531 S532 | P524-V528 WeakPolarHBondContact O-CG2 3.41Å; P524-V528 PolarHBondContact O-N 2.81Å; I525-V528 PolarHBondContact O-N 3.32Å; V528-A530 PolarHBondContact O-N 2.95Å; V528-F531 PolarHBondContact O-N 3.07Å; V528-S532 WeakPolarHBondContact O-CB 3.44Å; V528-S532 PolarHBondContact O-N 2.89Å; V528-S532 PolarHBondContact O-OG 3.07Å; V528-S532 VanDerWaalsContact O-OG 3.1Å |
| 529 | V | 92.1 | Very high | 85.7 | Confident | 73 Ų | 73 | 70.7 Ų | 70.7 | 44% | 0.442 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.6 | -47.8 | 176.9 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | I525 V526 F531 S532 M533 | I525-V529 HydrophobicContact CG2-CG2 4.36Å; I525-V529 VanDerWaalsContact O-CG2 3.31Å; I525-V529 WeakPolarHBondContact O-CG2 3.29Å; I525-V529 PolarHBondContact O-N 3.1Å; V526-V529 PolarHBondContact O-N 3.4Å; V529-F531 VanDerWaalsContact C-N 3.34Å; V529-F531 PolarHBondContact O-N 3.38Å; V529-S532 PolarHBondContact O-N 3.34Å; V529-M533 HydrophobicContact CG1-CG 4.36Å; V529-M533 WeakPolarHBondContact O-CB 3.14Å; V529-M533 VanDerWaalsContact O-CG 3.26Å; V529-M533 WeakPolarHBondContact O-CG 3.44Å; V529-M533 PolarHBondContact O-N 3.38Å |
| 530 | A | 91.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V526 M527 V528 C534 W555 A558 | V526-A530 VanDerWaalsContact O-CB 3.23Å; V526-A530 WeakPolarHBondContact O-CB 3.3Å; V526-A530 PolarHBondContact O-N 3.43Å; M527-A530 PolarHBondContact O-N 2.9Å; V528-A530 PolarHBondContact O-N 2.95Å; A530-C534 WeakPolarHBondContact O-CB 3.3Å; A530-C534 PolarHBondContact O-N 3.09Å; A530-W555 HydrophobicContact CB-CE3 3.72Å; A530-W555 HydrophobicContact CB-CZ3 4.08Å; A530-A558 HydrophobicContact CB-CB 4.19Å |
| 531 | F | 90.9 | Very high | 85.7 | Confident | 114 Ų | 114 | 74.3 Ų | 74.3 | 50% | 0.5 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.7 | -45.1 | 177.9 | -176 | -105.7 | 0 | 0 | 0 | 112.2 | M527 V528 V529 M533 C534 I535 | M527-F531 VanDerWaalsContact O-CB 3.27Å; M527-F531 WeakPolarHBondContact O-CB 3.35Å; M527-F531 PolarHBondContact O-N 3.45Å; V528-F531 PolarHBondContact O-N 3.07Å; V529-F531 VanDerWaalsContact C-N 3.34Å; V529-F531 PolarHBondContact O-N 3.38Å; F531-M533 VanDerWaalsContact C-N 3.35Å; F531-M533 PolarHBondContact O-N 3.36Å; F531-C534 WeakPolarHBondContact O-CB 3.4Å; F531-C534 PolarHBondContact O-N 3.29Å; F531-I535 HydrophobicContact CD1-CD1 3.9Å; F531-I535 HydrophobicContact CE1-CD1 3.33Å; F531-I535 HydrophobicContact CE1-CG1 4.3Å; F531-I535 HydrophobicContact CE2-CD1 4.46Å; F531-I535 HydrophobicContact CZ-CD1 3.66Å; F531-I535 HydrophobicContact CZ-CG1 4.34Å; F531-I535 PolarHBondContact O-N 3.11Å |
| 532 | S | 91.1 | Very high | 85.3 | Confident | 54 Ų | 54 | 70.2 Ų | 70.2 | 38% | 0.378 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 175.1 | -67.6 | 0 | 0 | 0 | 0 | 111.5 | V528 V529 C534 I535 I536 | V528-S532 WeakPolarHBondContact O-CB 3.44Å; V528-S532 PolarHBondContact O-N 2.89Å; V528-S532 PolarHBondContact O-OG 3.07Å; V528-S532 VanDerWaalsContact O-OG 3.1Å; V529-S532 PolarHBondContact O-N 3.34Å; S532-C534 VanDerWaalsContact C-N 3.34Å; S532-C534 PolarHBondContact O-N 3.02Å; S532-I535 PolarHBondContact O-N 3.02Å; S532-I536 VanDerWaalsContact O-CG1 3.27Å; S532-I536 WeakPolarHBondContact O-CG1 3.44Å; S532-I536 PolarHBondContact O-N 3.36Å |
| 533 | M | 90.8 | Very high | 84.8 | Confident | 76 Ų | 76 | 76 Ų | 76 | 37% | 0.374 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 175.3 | -72.4 | -59.8 | -135.1 | 0 | 0 | 112 | V529 F531 I535 I536 C537 W555 | V529-M533 HydrophobicContact CG1-CG 4.36Å; V529-M533 WeakPolarHBondContact O-CB 3.14Å; V529-M533 VanDerWaalsContact O-CG 3.26Å; V529-M533 WeakPolarHBondContact O-CG 3.44Å; V529-M533 PolarHBondContact O-N 3.38Å; F531-M533 VanDerWaalsContact C-N 3.35Å; F531-M533 PolarHBondContact O-N 3.36Å; M533-I535 VanDerWaalsContact C-N 3.35Å; M533-I535 PolarHBondContact O-N 3.13Å; M533-I536 PolarHBondContact O-N 2.99Å; M533-I536 HydrophobicContact SD-CD1 4.32Å; M533-C537 WeakPolarHBondContact O-CB 3.3Å; M533-C537 PolarHBondContact O-N 2.79Å; M533-C537 PolarHBondContact O-SG 2.84Å; M533-W555 HydrophobicContact CB-CB 4.46Å; M533-W555 HydrophobicContact CB-CD2 3.59Å; M533-W555 HydrophobicContact CB-CE3 4.14Å; M533-W555 HydrophobicContact CB-CG 3.75Å; M533-W555 HydrophobicContact CB-CZ2 4.15Å; M533-W555 HydrophobicContact CE-CZ2 4.4Å; M533-W555 HydrophobicContact CG-CD2 4.29Å; M533-W555 HydrophobicContact CG-CH2 4.31Å; M533-W555 HydrophobicContact CG-CZ2 3.98Å |
| 534 | C | 89.8 | Confident | 84.5 | Confident | 17 Ų | 17 | 77.1 Ų | 77.1 | 12% | 0.115 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -59 | -44.7 | 174.3 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | A530 F531 S532 C537 L538 W555 | A530-C534 WeakPolarHBondContact O-CB 3.3Å; A530-C534 PolarHBondContact O-N 3.09Å; F531-C534 WeakPolarHBondContact O-CB 3.4Å; F531-C534 PolarHBondContact O-N 3.29Å; S532-C534 VanDerWaalsContact C-N 3.34Å; S532-C534 PolarHBondContact O-N 3.02Å; C534-C537 PolarHBondContact O-N 2.88Å; C534-L538 WeakPolarHBondContact O-CG 3.44Å; C534-L538 PolarHBondContact O-N 3Å; C534-L538 VanDerWaalsContact O-N 3.08Å; C534-W555 HydrophobicContact CB-CB 3.84Å |
| 535 | I | 88.3 | Confident | 84.3 | Confident | 69 Ų | 69 | 84.6 Ų | 84.6 | 35% | 0.354 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 175.6 | -69.1 | 176.1 | 0 | 0 | 0 | 111.2 | F531 S532 M533 C537 L538 L539 | F531-I535 HydrophobicContact CD1-CD1 3.9Å; F531-I535 HydrophobicContact CE1-CD1 3.33Å; F531-I535 HydrophobicContact CE1-CG1 4.3Å; F531-I535 HydrophobicContact CE2-CD1 4.46Å; F531-I535 HydrophobicContact CZ-CD1 3.66Å; F531-I535 HydrophobicContact CZ-CG1 4.34Å; F531-I535 PolarHBondContact O-N 3.11Å; S532-I535 PolarHBondContact O-N 3.02Å; M533-I535 VanDerWaalsContact C-N 3.35Å; M533-I535 PolarHBondContact O-N 3.13Å; I535-C537 VanDerWaalsContact C-N 3.31Å; I535-C537 PolarHBondContact O-N 3.22Å; I535-L538 WeakPolarHBondContact O-CB 3.41Å; I535-L538 PolarHBondContact O-N 3.47Å; I535-L538 VanDerWaalsContact O-N 3.09Å; I535-L539 HydrophobicContact CG2-CD1 3.72Å; I535-L539 HydrophobicContact CG2-CG 4.25Å; I535-L539 WeakPolarHBondContact O-CG 3.47Å; I535-L539 PolarHBondContact O-N 3.22Å |
| 536 | I | 89.1 | Confident | 84.1 | Confident | 79 Ų | 79 | 84.9 Ų | 84.9 | 41% | 0.405 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 178.3 | -69.1 | 164.9 | 0 | 0 | 0 | 110.3 | S532 M533 L538 L539 M540 | S532-I536 VanDerWaalsContact O-CG1 3.27Å; S532-I536 WeakPolarHBondContact O-CG1 3.44Å; S532-I536 PolarHBondContact O-N 3.36Å; M533-I536 PolarHBondContact O-N 2.99Å; M533-I536 HydrophobicContact SD-CD1 4.32Å; I536-L538 PolarHBondContact O-N 3.16Å; I536-L539 PolarHBondContact O-N 3.44Å; I536-L539 VanDerWaalsContact O-N 3.14Å; I536-M540 HydrophobicContact CG2-CG 4.09Å; I536-M540 HydrophobicContact CG2-SD 3.63Å; I536-M540 WeakPolarHBondContact O-CB 3.38Å; I536-M540 PolarHBondContact O-N 2.68Å |
| 537 | C | 86.6 | Confident | 83.7 | Confident | 24 Ų | 24 | 86.3 Ų | 86.3 | 16% | 0.162 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -65 | -25.5 | 175.9 | -66.1 | 0 | 0 | 0 | 0 | 113.5 | M533 C534 I535 T548 V552 | M533-C537 WeakPolarHBondContact O-CB 3.3Å; M533-C537 PolarHBondContact O-N 2.79Å; M533-C537 PolarHBondContact O-SG 2.84Å; C534-C537 PolarHBondContact O-N 2.88Å; I535-C537 VanDerWaalsContact C-N 3.31Å; I535-C537 PolarHBondContact O-N 3.22Å; C537-T548 WeakPolarHBondContact O-CG2 3.39Å; C537-V552 HydrophobicContact CB-CG2 3.75Å |
| 538 | L | 84.8 | Confident | 83.4 | Confident | 117 Ų | 117 | 84.9 Ų | 84.9 | 61% | 0.613 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -78 | -31.5 | 172.7 | -74.7 | 167.9 | 0 | 0 | 0 | 112.6 | C534 I535 I536 V552 | C534-L538 WeakPolarHBondContact O-CG 3.44Å; C534-L538 PolarHBondContact O-N 3Å; C534-L538 VanDerWaalsContact O-N 3.08Å; I535-L538 WeakPolarHBondContact O-CB 3.41Å; I535-L538 PolarHBondContact O-N 3.47Å; I535-L538 VanDerWaalsContact O-N 3.09Å; I536-L538 PolarHBondContact O-N 3.16Å; L538-V552 HydrophobicContact CD2-CG1 4.01Å; L538-V552 HydrophobicContact CD2-CG2 3.89Å; L538-V552 HydrophobicContact CG-CG1 4.34Å; L538-V552 HydrophobicContact CG-CG2 3.98Å |
| 539 | L | 84.5 | Confident | 83.3 | Confident | 142 Ų | 142 | 84.1 Ų | 84.1 | 74% | 0.743 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -88.5 | -32.5 | -177.6 | -67.6 | 175.2 | 0 | 0 | 0 | 113 | I535 I536 | I535-L539 HydrophobicContact CG2-CD1 3.72Å; I535-L539 HydrophobicContact CG2-CG 4.25Å; I535-L539 WeakPolarHBondContact O-CG 3.47Å; I535-L539 PolarHBondContact O-N 3.22Å; I536-L539 PolarHBondContact O-N 3.44Å; I536-L539 VanDerWaalsContact O-N 3.14Å |
| 540 | M | 79 | Confident | 83.1 | Confident | 131 Ų | 131 | 83.4 Ų | 83.4 | 65% | 0.645 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -86.7 | 111.4 | 175.2 | -68.6 | -173.3 | 65.4 | 0 | 0 | 109.4 | I536 G542 | I536-M540 HydrophobicContact CG2-CG 4.09Å; I536-M540 HydrophobicContact CG2-SD 3.63Å; I536-M540 WeakPolarHBondContact O-CB 3.38Å; I536-M540 PolarHBondContact O-N 2.68Å; M540-G542 PolarHBondContact O-N 2.97Å |
| 541 | A | 60.9 | Low | 82.9 | Confident | 101 Ų | 101 | 89.9 Ų | 89.9 | 84% | 0.835 | 49% | 0.486 | S | S | * | . | trans | -67.8 | 115.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 542 | G | 66.8 | Low | 82.8 | Confident | 39 Ų | 39 | 85.8 Ų | 85.8 | 40% | 0.402 | 47% | 0.47 | S | S | . | . | trans | -74.5 | 160.9 | 170 | 0 | 0 | 0 | 0 | 0 | 111.9 | M540 T544 T548 | M540-G542 PolarHBondContact O-N 2.97Å; G542-T544 PolarHBondContact O-N 2.91Å; G542-T548 WeakPolarHBondContact CA-OG1 3.31Å; G542-T548 PolarHBondContact N-OG1 3.25Å | ||
| 543 | D | 70.8 | Confident | 82.8 | Confident | 172 Ų | 172 | 88 Ų | 88 | 92% | 0.92 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -61.8 | -25.5 | 178.8 | -71.1 | -32.4 | 0 | 0 | 0 | 112.4 | ||
| 544 | T | 79.4 | Confident | 82.9 | Confident | 59 Ų | 59 | 90.5 Ų | 90.5 | 36% | 0.362 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -129.1 | 142.9 | 172.9 | 67.8 | 0 | 0 | 0 | 0 | 112.8 | G542 T546 E547 T548 | G542-T544 PolarHBondContact O-N 2.91Å; T544-T546 VanDerWaalsContact C-N 3.27Å; T544-T546 PolarHBondContact O-N 3.27Å; T544-T546 PolarHBondContact OG1-OG1 2.86Å; T544-E547 PolarHBondContact O-N 2.95Å; T544-E547 WeakPolarHBondContact OG1-CB 3.33Å; T544-E547 WeakPolarHBondContact OG1-CG 3.41Å; T544-E547 PolarHBondContact OG1-OE2 2.68Å; T544-T548 PolarHBondContact O-N 2.91Å; T544-T548 PolarHBondContact O-OG1 3.38Å |
| 545 | W | 79.9 | Confident | 83.1 | Confident | 199 Ų | 199 | 92.6 Ų | 92.6 | 75% | 0.754 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.1 | -32.5 | 179 | -174.8 | 79.8 | 0 | 0 | 0 | 112.5 | L549 | W545-L549 HydrophobicContact CH2-CD2 3.77Å; W545-L549 HydrophobicContact CZ2-CD2 4.37Å; W545-L549 HydrophobicContact CZ3-CD2 3.84Å; W545-L549 WeakPolarHBondContact O-CB 3.19Å; W545-L549 PolarHBondContact O-N 3.32Å |
| 546 | T | 83 | Confident | 83.2 | Confident | 97 Ų | 97 | 90.3 Ų | 90.3 | 60% | 0.595 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.7 | -40.1 | 179.6 | 43.5 | 0 | 0 | 0 | 0 | 113 | T544 A550 | T544-T546 VanDerWaalsContact C-N 3.27Å; T544-T546 PolarHBondContact O-N 3.27Å; T544-T546 PolarHBondContact OG1-OG1 2.86Å; T546-A550 WeakPolarHBondContact O-CB 3.27Å; T546-A550 PolarHBondContact O-N 2.91Å |
| 547 | E | 80.9 | Confident | 83.4 | Confident | 104 Ų | 104 | 90.1 Ų | 90.1 | 49% | 0.486 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.6 | -45.2 | 177.1 | -73 | 172.7 | 161.4 | 0 | 0 | 111 | T544 L549 A550 Y551 | T544-E547 PolarHBondContact O-N 2.95Å; T544-E547 WeakPolarHBondContact OG1-CB 3.33Å; T544-E547 WeakPolarHBondContact OG1-CG 3.41Å; T544-E547 PolarHBondContact OG1-OE2 2.68Å; E547-L549 VanDerWaalsContact C-N 3.28Å; E547-L549 PolarHBondContact O-N 3.42Å; E547-A550 PolarHBondContact O-N 3.37Å; E547-A550 VanDerWaalsContact O-N 3.14Å; E547-Y551 HydrophobicContact CB-CE2 4.39Å; E547-Y551 WeakPolarHBondContact O-CD2 3.21Å; E547-Y551 PolarHBondContact O-N 3.26Å |
| 548 | T | 82.8 | Confident | 83.6 | Confident | 31 Ų | 31 | 90.1 Ų | 90.1 | 19% | 0.19 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -56.4 | -45.7 | 176.1 | -50.9 | 0 | 0 | 0 | 0 | 110.6 | C537 G542 T544 Y551 V552 | C537-T548 WeakPolarHBondContact O-CG2 3.39Å; G542-T548 WeakPolarHBondContact CA-OG1 3.31Å; G542-T548 PolarHBondContact N-OG1 3.25Å; T544-T548 PolarHBondContact O-N 2.91Å; T544-T548 PolarHBondContact O-OG1 3.38Å; T548-Y551 PolarHBondContact O-N 2.92Å; T548-V552 VanDerWaalsContact O-CG2 3.29Å; T548-V552 WeakPolarHBondContact O-CG2 3.29Å; T548-V552 PolarHBondContact O-N 3.42Å; T548-V552 VanDerWaalsContact O-N 3.1Å |
| 549 | L | 86 | Confident | 84 | Confident | 68 Ų | 68 | 85.5 Ų | 85.5 | 36% | 0.356 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 176.9 | -177 | 64.7 | 0 | 0 | 0 | 112.5 | W545 E547 V552 L553 | W545-L549 HydrophobicContact CH2-CD2 3.77Å; W545-L549 HydrophobicContact CZ2-CD2 4.37Å; W545-L549 HydrophobicContact CZ3-CD2 3.84Å; W545-L549 WeakPolarHBondContact O-CB 3.19Å; W545-L549 PolarHBondContact O-N 3.32Å; E547-L549 VanDerWaalsContact C-N 3.28Å; E547-L549 PolarHBondContact O-N 3.42Å; L549-V552 PolarHBondContact O-N 2.87Å; L549-L553 HydrophobicContact CD1-CD1 4.2Å; L549-L553 HydrophobicContact CD1-CG 4.25Å; L549-L553 HydrophobicContact CG-CD1 3.97Å; L549-L553 HydrophobicContact CG-CG 4.42Å; L549-L553 WeakPolarHBondContact O-CB 3.31Å; L549-L553 VanDerWaalsContact O-CG 3.27Å; L549-L553 WeakPolarHBondContact O-CG 3.33Å; L549-L553 PolarHBondContact O-N 2.86Å |
| 550 | A | 87.6 | Confident | 84.2 | Confident | 58 Ų | 58 | 83.9 Ų | 83.9 | 48% | 0.479 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.3 | T546 E547 L553 F554 | T546-A550 WeakPolarHBondContact O-CB 3.27Å; T546-A550 PolarHBondContact O-N 2.91Å; E547-A550 PolarHBondContact O-N 3.37Å; E547-A550 VanDerWaalsContact O-N 3.14Å; A550-L553 PolarHBondContact O-N 3.42Å; A550-F554 WeakPolarHBondContact O-CB 3.27Å; A550-F554 PolarHBondContact O-N 3.48Å |
| 551 | Y | 88.3 | Confident | 84.8 | Confident | 137 Ų | 137 | 83 Ų | 83 | 54% | 0.537 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67 | -42.1 | 177.5 | -71.8 | -62.6 | 0 | 0 | 0 | 112.7 | E547 T548 L553 F554 W555 | E547-Y551 HydrophobicContact CB-CE2 4.39Å; E547-Y551 WeakPolarHBondContact O-CD2 3.21Å; E547-Y551 PolarHBondContact O-N 3.26Å; T548-Y551 PolarHBondContact O-N 2.92Å; Y551-L553 VanDerWaalsContact C-N 3.33Å; Y551-L553 PolarHBondContact O-N 2.89Å; Y551-F554 PolarHBondContact O-N 2.88Å; Y551-W555 WeakPolarHBondContact O-CB 3.23Å; Y551-W555 VanDerWaalsContact O-CD1 3.3Å; Y551-W555 PolarHBondContact O-N 3.29Å |
| 552 | V | 89.4 | Confident | 86.2 | Confident | 27 Ų | 27 | 79 Ų | 79 | 16% | 0.164 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 175.7 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | C537 L538 T548 L549 G556 | C537-V552 HydrophobicContact CB-CG2 3.75Å; L538-V552 HydrophobicContact CD2-CG1 4.01Å; L538-V552 HydrophobicContact CD2-CG2 3.89Å; L538-V552 HydrophobicContact CG-CG1 4.34Å; L538-V552 HydrophobicContact CG-CG2 3.98Å; T548-V552 VanDerWaalsContact O-CG2 3.29Å; T548-V552 WeakPolarHBondContact O-CG2 3.29Å; T548-V552 PolarHBondContact O-N 3.42Å; T548-V552 VanDerWaalsContact O-N 3.1Å; L549-V552 PolarHBondContact O-N 2.87Å; V552-G556 WeakPolarHBondContact O-CA 3.27Å; V552-G556 PolarHBondContact O-N 2.88Å |
| 553 | L | 90.8 | Very high | 87.2 | Confident | 101 Ų | 101 | 77.9 Ų | 77.9 | 53% | 0.529 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 176.9 | -73.8 | 174.4 | 0 | 0 | 0 | 112.1 | L549 A550 Y551 T557 | L549-L553 HydrophobicContact CD1-CD1 4.2Å; L549-L553 HydrophobicContact CD1-CG 4.25Å; L549-L553 HydrophobicContact CG-CD1 3.97Å; L549-L553 HydrophobicContact CG-CG 4.42Å; L549-L553 WeakPolarHBondContact O-CB 3.31Å; L549-L553 VanDerWaalsContact O-CG 3.27Å; L549-L553 WeakPolarHBondContact O-CG 3.33Å; L549-L553 PolarHBondContact O-N 2.86Å; A550-L553 PolarHBondContact O-N 3.42Å; Y551-L553 VanDerWaalsContact C-N 3.33Å; Y551-L553 PolarHBondContact O-N 2.89Å; L553-T557 WeakPolarHBondContact O-CB 3.34Å; L553-T557 PolarHBondContact O-N 2.93Å; L553-T557 PolarHBondContact O-OG1 2.93Å |
| 554 | F | 93.2 | Very high | 87.9 | Confident | 128 Ų | 128 | 71.5 Ų | 71.5 | 56% | 0.561 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.1 | -56.1 | 177.5 | 175.3 | -97.2 | 0 | 0 | 0 | 111.5 | A550 Y551 T557 A558 | A550-F554 WeakPolarHBondContact O-CB 3.27Å; A550-F554 PolarHBondContact O-N 3.48Å; Y551-F554 PolarHBondContact O-N 2.88Å; F554-T557 PolarHBondContact O-N 3.34Å; F554-A558 WeakPolarHBondContact O-CB 3.27Å; F554-A558 PolarHBondContact O-N 3.49Å |
| 555 | W | 93 | Very high | 88.3 | Confident | 61 Ų | 61 | 73 Ų | 73 | 23% | 0.231 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.3 | -35.4 | -178 | -73.1 | 121 | 0 | 0 | 0 | 112.5 | A530 M533 C534 Y551 A558 S559 | A530-W555 HydrophobicContact CB-CE3 3.72Å; A530-W555 HydrophobicContact CB-CZ3 4.08Å; M533-W555 HydrophobicContact CB-CB 4.46Å; M533-W555 HydrophobicContact CB-CD2 3.59Å; M533-W555 HydrophobicContact CB-CE3 4.14Å; M533-W555 HydrophobicContact CB-CG 3.75Å; M533-W555 HydrophobicContact CB-CZ2 4.15Å; M533-W555 HydrophobicContact CE-CZ2 4.4Å; M533-W555 HydrophobicContact CG-CD2 4.29Å; M533-W555 HydrophobicContact CG-CH2 4.31Å; M533-W555 HydrophobicContact CG-CZ2 3.98Å; C534-W555 HydrophobicContact CB-CB 3.84Å; Y551-W555 WeakPolarHBondContact O-CB 3.23Å; Y551-W555 VanDerWaalsContact O-CD1 3.3Å; Y551-W555 PolarHBondContact O-N 3.29Å; W555-A558 HydrophobicContact CE3-CB 4.49Å; W555-A558 PolarHBondContact O-N 3.42Å; W555-S559 VanDerWaalsContact O-CB 3.27Å; W555-S559 WeakPolarHBondContact O-CB 3.39Å; W555-S559 PolarHBondContact O-N 3.49Å |
| 556 | G | 90.9 | Very high | 88.6 | Confident | 21 Ų | 21 | 64.3 Ų | 64.3 | 22% | 0.216 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61 | -46.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | V552 S559 V560 | V552-G556 WeakPolarHBondContact O-CA 3.27Å; V552-G556 PolarHBondContact O-N 2.88Å; G556-S559 PolarHBondContact O-N 2.8Å; G556-V560 VanDerWaalsContact O-CG2 3.31Å; G556-V560 WeakPolarHBondContact O-CG2 3.41Å; G556-V560 PolarHBondContact O-N 3.1Å |
| 557 | T | 92.8 | Very high | 88.7 | Confident | 76 Ų | 76 | 63.9 Ų | 63.9 | 47% | 0.466 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 177.2 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | L553 F554 S559 V560 L561 | L553-T557 WeakPolarHBondContact O-CB 3.34Å; L553-T557 PolarHBondContact O-N 2.93Å; L553-T557 PolarHBondContact O-OG1 2.93Å; F554-T557 PolarHBondContact O-N 3.34Å; T557-S559 VanDerWaalsContact C-N 3.32Å; T557-S559 PolarHBondContact O-N 2.91Å; T557-V560 PolarHBondContact O-N 2.84Å; T557-L561 HydrophobicContact CG2-CD1 3.85Å; T557-L561 HydrophobicContact CG2-CG 4.19Å; T557-L561 WeakPolarHBondContact O-CB 3.35Å; T557-L561 WeakPolarHBondContact O-CG 3.26Å; T557-L561 PolarHBondContact O-N 3.47Å |
| 558 | A | 91.8 | Very high | 89 | Confident | 24 Ų | 24 | 67.2 Ų | 67.2 | 20% | 0.198 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A530 F554 W555 T562 | A530-A558 HydrophobicContact CB-CB 4.19Å; F554-A558 WeakPolarHBondContact O-CB 3.27Å; F554-A558 PolarHBondContact O-N 3.49Å; W555-A558 HydrophobicContact CE3-CB 4.49Å; W555-A558 PolarHBondContact O-N 3.42Å; A558-T562 WeakPolarHBondContact O-CB 3.37Å; A558-T562 WeakPolarHBondContact O-CG2 3.36Å; A558-T562 PolarHBondContact O-N 2.95Å; A558-T562 PolarHBondContact O-OG1 3.22Å |
| 559 | S | 91.2 | Very high | 89.1 | Confident | 20 Ų | 20 | 68.6 Ų | 68.6 | 14% | 0.14 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 176 | -172.7 | 0 | 0 | 0 | 0 | 112 | W555 G556 T557 T562 G563 | W555-S559 VanDerWaalsContact O-CB 3.27Å; W555-S559 WeakPolarHBondContact O-CB 3.39Å; W555-S559 PolarHBondContact O-N 3.49Å; G556-S559 PolarHBondContact O-N 2.8Å; T557-S559 VanDerWaalsContact C-N 3.32Å; T557-S559 PolarHBondContact O-N 2.91Å; S559-T562 PolarHBondContact O-OG1 2.88Å; S559-G563 PolarHBondContact O-N 3.48Å |
| 560 | V | 90.4 | Very high | 88.9 | Confident | 108 Ų | 108 | 65.4 Ų | 65.4 | 66% | 0.655 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.1 | -43.7 | 177.7 | 171.2 | 0 | 0 | 0 | 0 | 111.9 | G556 T557 G564 | G556-V560 VanDerWaalsContact O-CG2 3.31Å; G556-V560 WeakPolarHBondContact O-CG2 3.41Å; G556-V560 PolarHBondContact O-N 3.1Å; T557-V560 PolarHBondContact O-N 2.84Å; V560-G564 PolarHBondContact O-N 3.4Å |
| 561 | L | 91.9 | Very high | 88.6 | Confident | 112 Ų | 112 | 69 Ų | 69 | 59% | 0.586 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.7 | -46.8 | 179.4 | -73.5 | 174.6 | 0 | 0 | 0 | 111.7 | T557 G564 L565 | T557-L561 HydrophobicContact CG2-CD1 3.85Å; T557-L561 HydrophobicContact CG2-CG 4.19Å; T557-L561 WeakPolarHBondContact O-CB 3.35Å; T557-L561 WeakPolarHBondContact O-CG 3.26Å; T557-L561 PolarHBondContact O-N 3.47Å; L561-G564 PolarHBondContact O-N 3.3Å; L561-L565 WeakPolarHBondContact O-CG 3.27Å; L561-L565 PolarHBondContact O-N 3.27Å |
| 562 | T | 89.5 | Confident | 88.3 | Confident | 17 Ų | 17 | 67.6 Ų | 67.6 | 10% | 0.104 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.3 | -43 | 177.7 | 49.4 | 0 | 0 | 0 | 0 | 111.8 | V526 A558 S559 G564 L565 I566 | V526-T562 HydrophobicContact CG1-CG2 3.9Å; A558-T562 WeakPolarHBondContact O-CB 3.37Å; A558-T562 WeakPolarHBondContact O-CG2 3.36Å; A558-T562 PolarHBondContact O-N 2.95Å; A558-T562 PolarHBondContact O-OG1 3.22Å; S559-T562 PolarHBondContact O-OG1 2.88Å; T562-G564 VanDerWaalsContact C-N 3.31Å; T562-G564 PolarHBondContact O-N 3.49Å; T562-L565 PolarHBondContact O-N 3Å; T562-I566 WeakPolarHBondContact O-CG1 3.38Å; T562-I566 PolarHBondContact O-N 2.9Å |
| 563 | G | 86.7 | Confident | 88 | Confident | 16 Ų | 16 | 67 Ų | 67 | 17% | 0.165 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.4 | -39.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S559 I566 L567 | S559-G563 PolarHBondContact O-N 3.48Å; G563-I566 PolarHBondContact O-N 3.2Å; G563-L567 WeakPolarHBondContact O-CG 3.48Å; G563-L567 PolarHBondContact O-N 2.88Å |
| 564 | G | 86.5 | Confident | 87.7 | Confident | 38 Ų | 38 | 62.6 Ų | 62.6 | 39% | 0.392 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | V560 L561 T562 L567 F568 | V560-G564 PolarHBondContact O-N 3.4Å; L561-G564 PolarHBondContact O-N 3.3Å; T562-G564 VanDerWaalsContact C-N 3.31Å; T562-G564 PolarHBondContact O-N 3.49Å; G564-L567 PolarHBondContact O-N 3.08Å; G564-F568 WeakPolarHBondContact O-CB 3.45Å; G564-F568 PolarHBondContact O-N 3.42Å |
| 565 | L | 87.9 | Confident | 87.3 | Confident | 89 Ų | 89 | 58.1 Ų | 58.1 | 47% | 0.466 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 175.3 | -74.4 | 169.7 | 0 | 0 | 0 | 112.2 | L561 T562 L567 F568 N569 | L561-L565 WeakPolarHBondContact O-CG 3.27Å; L561-L565 PolarHBondContact O-N 3.27Å; T562-L565 PolarHBondContact O-N 3Å; L565-L567 PolarHBondContact O-N 3.45Å; L565-F568 PolarHBondContact O-N 3.03Å; L565-N569 PolarHBondContact O-N 3.44Å |
| 566 | I | 86.8 | Confident | 87 | Confident | 17 Ų | 17 | 57.1 Ų | 57.1 | 9% | 0.087 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 175.6 | -69.5 | 166 | 0 | 0 | 0 | 110.4 | L269 L523 P524 M527 T562 G563 F568 N569 G570 F573 | L269-I566 HydrophobicContact CD1-CG2 3.54Å; L523-I566 HydrophobicContact CB-CD1 4.26Å; L523-I566 HydrophobicContact CB-CG1 4.02Å; P524-I566 HydrophobicContact CG-CD1 4.5Å; M527-I566 HydrophobicContact CB-CD1 4.21Å; M527-I566 HydrophobicContact CE-CD1 4.47Å; M527-I566 HydrophobicContact SD-CD1 3.84Å; T562-I566 WeakPolarHBondContact O-CG1 3.38Å; T562-I566 PolarHBondContact O-N 2.9Å; G563-I566 PolarHBondContact O-N 3.2Å; I566-F568 PolarHBondContact O-N 3.5Å; I566-N569 CarbonylContact O-C 3.54Å; I566-N569 PolarHBondContact O-N 3.1Å; I566-G570 WeakPolarHBondContact O-CA 3.38Å; I566-G570 PolarHBondContact O-N 3.02Å; I566-F573 HydrophobicContact CB-CE2 4.45Å; I566-F573 HydrophobicContact CG1-CE2 4.3Å; I566-F573 HydrophobicContact CG1-CZ 4.12Å; I566-F573 HydrophobicContact CG2-CD2 4.11Å; I566-F573 HydrophobicContact CG2-CE2 4.37Å; I566-F573 HydrophobicContact CG2-CG 4.2Å |
| 567 | L | 85.4 | Confident | 86.8 | Confident | 88 Ų | 88 | 56.9 Ų | 56.9 | 46% | 0.461 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.5 | -32.9 | 178.1 | -72.4 | 175.7 | 0 | 0 | 0 | 113.1 | L269 G563 G564 L565 G570 | L269-L567 HydrophobicContact CB-CD2 3.95Å; G563-L567 WeakPolarHBondContact O-CG 3.48Å; G563-L567 PolarHBondContact O-N 2.88Å; G564-L567 PolarHBondContact O-N 3.08Å; L565-L567 PolarHBondContact O-N 3.45Å; L567-G570 PolarHBondContact O-N 2.99Å |
| 568 | F | 86.1 | Confident | 86.6 | Confident | 174 Ų | 174 | 56.8 Ų | 56.8 | 76% | 0.763 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68 | -45.7 | 175.9 | -175.5 | -97.6 | 0 | 0 | 0 | 111.2 | G564 L565 I566 G570 | G564-F568 WeakPolarHBondContact O-CB 3.45Å; G564-F568 PolarHBondContact O-N 3.42Å; L565-F568 PolarHBondContact O-N 3.03Å; I566-F568 PolarHBondContact O-N 3.5Å; F568-G570 PolarHBondContact O-N 3.26Å |
| 569 | N | 84.3 | Confident | 86.3 | Confident | 60 Ų | 60 | 56.2 Ų | 56.2 | 32% | 0.321 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 23 | 175.4 | -63.3 | -30.9 | 0 | 0 | 0 | 112.5 | L565 I566 R571 D572 F573 | L565-N569 PolarHBondContact O-N 3.44Å; I566-N569 CarbonylContact O-C 3.54Å; I566-N569 PolarHBondContact O-N 3.1Å; N569-R571 PolarHBondContact O-N 3.09Å; N569-D572 WeakPolarHBondContact O-CB 3.29Å; N569-D572 PolarHBondContact O-N 3.43Å; N569-F573 HydrophobicContact CB-CD2 4.49Å; N569-F573 HydrophobicContact CB-CE2 4.18Å; N569-F573 WeakPolarHBondContact O-CD2 3.39Å |
| 570 | G | 82.4 | Confident | 85.7 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -14 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | N268 I566 L567 F568 D572 V574 | N268-G570 CarbonylContact C-O 3.58Å; I566-G570 WeakPolarHBondContact O-CA 3.38Å; I566-G570 PolarHBondContact O-N 3.02Å; L567-G570 PolarHBondContact O-N 2.99Å; F568-G570 PolarHBondContact O-N 3.26Å; G570-D572 VanDerWaalsContact C-N 3.35Å; G570-V574 WeakPolarHBondContact O-CG2 3.37Å |
| 571 | R | 82.1 | Confident | 84.4 | Confident | 135 Ų | 135 | 57.4 Ų | 57.4 | 51% | 0.509 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -35.3 | 171.5 | -74.6 | -177.7 | 172.3 | -179.9 | -5.6 | 112.3 | N268 N569 F573 | N268-R571 HydrophobicContact CB-CG 3.84Å; N569-R571 PolarHBondContact O-N 3.09Å; R571-F573 VanDerWaalsContact C-N 3.34Å |
| 572 | D | 81.2 | Confident | 82.8 | Confident | 106 Ų | 106 | 60 Ų | 60 | 57% | 0.567 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -41.1 | -179.3 | -57.7 | -24.7 | 0 | 0 | 0 | 108.8 | F520 N569 G570 V574 | F520-D572 WeakPolarHBondContact CE2-O 3.48Å; F520-D572 VanDerWaalsContact CZ-O 3.24Å; F520-D572 WeakPolarHBondContact CZ-O 3.5Å; N569-D572 WeakPolarHBondContact O-CB 3.29Å; N569-D572 PolarHBondContact O-N 3.43Å; G570-D572 VanDerWaalsContact C-N 3.35Å; D572-V574 PolarHBondContact O-N 2.99Å; D572-V574 VanDerWaalsContact O-N 3.16Å |
| 573 | F | 82.4 | Confident | 80.9 | Confident | 16 Ų | 16 | 67 Ų | 67 | 7% | 0.07 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -2.7 | -176.8 | -71.2 | -82.6 | 0 | 0 | 0 | 116.2 | L269 F520 L523 P524 I566 N569 R571 | L269-F573 HydrophobicContact CD1-CB 3.78Å; L269-F573 HydrophobicContact CD1-CG 4.42Å; L269-F573 HydrophobicContact CG-CB 4.35Å; F520-F573 AromaticContact CD1-CD1 3.96Å; F520-F573 HydrophobicContact CD1-CD1 3.96Å; F520-F573 HydrophobicContact CD1-CE1 4.28Å; F520-F573 HydrophobicContact CE1-CD1 4.07Å; F520-F573 HydrophobicContact CG-CD1 4.31Å; F520-F573 HydrophobicContact CG-CE1 4.37Å; F520-F573 VanDerWaalsContact CZ-CA 3.42Å; L523-F573 HydrophobicContact CB-CZ 4.1Å; L523-F573 HydrophobicContact CD1-CE2 4.44Å; L523-F573 HydrophobicContact CD1-CZ 3.87Å; P524-F573 HydrophobicContact CG-CD1 4.28Å; P524-F573 HydrophobicContact CG-CE1 3.84Å; I566-F573 HydrophobicContact CB-CE2 4.45Å; I566-F573 HydrophobicContact CG1-CE2 4.3Å; I566-F573 HydrophobicContact CG1-CZ 4.12Å; I566-F573 HydrophobicContact CG2-CD2 4.11Å; I566-F573 HydrophobicContact CG2-CE2 4.37Å; I566-F573 HydrophobicContact CG2-CG 4.2Å; N569-F573 HydrophobicContact CB-CD2 4.49Å; N569-F573 HydrophobicContact CB-CE2 4.18Å; N569-F573 WeakPolarHBondContact O-CD2 3.39Å; R571-F573 VanDerWaalsContact C-N 3.34Å |
| 574 | V | 85.7 | Confident | 79.2 | Confident | 8 Ų | 8 | 72.9 Ų | 72.9 | 5% | 0.048 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -96.1 | 140.9 | -177.4 | 168.7 | 0 | 0 | 0 | 0 | 110.4 | Y223 P267 L269 N484 G570 D572 A576 | Y223-V574 WeakPolarHBondContact OH-CG1 3.28Å; P267-V574 HydrophobicContact CB-CG1 3.8Å; P267-V574 HydrophobicContact CB-CG2 4.34Å; P267-V574 HydrophobicContact CG-CB 4.42Å; P267-V574 HydrophobicContact CG-CG1 3.36Å; L269-V574 HydrophobicContact CD2-CG2 3.79Å; L269-V574 HydrophobicContact CG-CG2 4.08Å; N484-V574 HydrophobicContact CB-CG2 4.06Å; N484-V574 CarbonylContact O-C 3.57Å; N484-V574 VanDerWaalsContact O-CA 3.27Å; N484-V574 WeakPolarHBondContact O-CA 3.45Å; N484-V574 VanDerWaalsContact O-CG1 3.3Å; N484-V574 WeakPolarHBondContact O-CG1 3.33Å; N484-V574 WeakPolarHBondContact OD1-CG2 3.44Å; G570-V574 WeakPolarHBondContact O-CG2 3.37Å; D572-V574 PolarHBondContact O-N 2.99Å; D572-V574 VanDerWaalsContact O-N 3.16Å; V574-A576 PolarHBondContact O-N 3.14Å; V574-A576 VanDerWaalsContact O-N 3.14Å |
| 575 | D | 84.1 | Confident | 77.5 | Confident | 33 Ų | 33 | 71.7 Ų | 71.7 | 18% | 0.176 | 34% | 0.343 | C | S | . | . | trans | -64.9 | 107.7 | 171.1 | -175.5 | 46.4 | 0 | 0 | 0 | 110.5 | Y223 N484 G488 Y489 | Y223-D575 PolarHBondContact OH-O 2.8Å; N484-D575 PolarHBondContact O-N 3.33Å; G488-D575 WeakPolarHBondContact CA-O 3.42Å; G488-D575 VanDerWaalsContact CA-OD2 3.23Å; G488-D575 WeakPolarHBondContact CA-OD2 3.2Å; G488-D575 PolarHBondContact N-O 3.14Å; G488-D575 PolarHBondContact N-OD2 3.24Å; Y489-D575 PolarHBondContact N-OD2 2.98Å | ||
| 576 | A | 86.3 | Confident | 75.4 | Confident | 41 Ų | 41 | 71.6 Ų | 71.6 | 34% | 0.339 | 34% | 0.343 | S | S | . | . | trans | -105.9 | 144.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y223 V574 | Y223-A576 HydrophobicContact CE1-CB 4.29Å; Y223-A576 VanDerWaalsContact OH-CA 3.25Å; Y223-A576 WeakPolarHBondContact OH-CA 3.38Å; V574-A576 PolarHBondContact O-N 3.14Å; V574-A576 VanDerWaalsContact O-N 3.14Å | ||
| 577 | P | 88.5 | Confident | 74.8 | Confident | 15 Ų | 15 | 74.4 Ų | 74.4 | 10% | 0.097 | 36% | 0.356 | C | S | . | . | trans | -61.2 | 142.1 | 175.3 | 26.9 | -33 | 0 | 0 | 0 | 110 | Y223 Q491 D492 L585 | Y223-P577 HydrophobicContact CD1-CG 3.65Å; Y223-P577 HydrophobicContact CE1-CG 4.01Å; Y223-P577 HydrophobicContact CG-CG 4.19Å; Q491-P577 HydrophobicContact CB-CB 4.09Å; Q491-P577 HydrophobicContact CG-CB 3.99Å; Q491-P577 HydrophobicContact CG-CG 4.29Å; D492-P577 WeakPolarHBondContact OD1-CA 3.29Å; D492-P577 VanDerWaalsContact OD1-CB 3.3Å; D492-P577 WeakPolarHBondContact OD1-CB 3.16Å; P577-L585 HydrophobicContact CG-CD1 3.71Å | ||
| 578 | K | 87.9 | Confident | 74.2 | Confident | 74 Ų | 74 | 73.6 Ų | 73.6 | 32% | 0.322 | 35% | 0.351 | S | S | . | . | trans | -112.6 | -27.5 | -174.4 | -62.3 | -177.2 | 174.1 | -173.1 | 0 | 113 | D492 P511 L512 | D492-K578 VanDerWaalsContact CG-N 3.3Å; D492-K578 PolarHBondContact OD1-N 3.18Å; D492-K578 PolarHBondContact OD2-N 3.35Å; P511-K578 WeakPolarHBondContact CB-O 3.09Å; L512-K578 HydrophobicContact CD2-CD 4.38Å; L512-K578 PolarHBondContact O-NZ 2.76Å | ||
| 579 | L | 84.4 | Confident | 73.6 | Confident | 12 Ų | 12 | 68.1 Ų | 68.1 | 6% | 0.063 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -77.6 | -40.9 | -169.2 | -65 | -175 | 0 | 0 | 0 | 113 | F117 M120 D492 L496 Y501 L512 | F117-L579 HydrophobicContact CE1-CD1 4.02Å; F117-L579 HydrophobicContact CE1-CD2 3.9Å; F117-L579 HydrophobicContact CZ-CD2 4.19Å; M120-L579 HydrophobicContact SD-CD1 4.14Å; D492-L579 HydrophobicContact CB-CB 4.44Å; D492-L579 HydrophobicContact CB-CD1 3.75Å; D492-L579 HydrophobicContact CB-CG 3.86Å; D492-L579 WeakPolarHBondContact OD1-CB 3.43Å; D492-L579 PolarHBondContact OD1-N 3.25Å; L496-L579 HydrophobicContact CB-CD1 4.27Å; Y501-L579 HydrophobicContact CD1-CB 4.25Å; Y501-L579 HydrophobicContact CD1-CD1 3.91Å; Y501-L579 HydrophobicContact CD1-CD2 4.12Å; Y501-L579 HydrophobicContact CD1-CG 4.32Å; Y501-L579 HydrophobicContact CD2-CB 3.91Å; Y501-L579 HydrophobicContact CD2-CD2 4.49Å; Y501-L579 VanDerWaalsContact CD2-O 3.24Å; Y501-L579 WeakPolarHBondContact CD2-O 3.17Å; Y501-L579 HydrophobicContact CE1-CD1 4.42Å; Y501-L579 HydrophobicContact CE1-CD2 3.91Å; Y501-L579 HydrophobicContact CE2-CB 4.45Å; Y501-L579 HydrophobicContact CE2-CD2 4.29Å; Y501-L579 HydrophobicContact CG-CB 3.78Å; Y501-L579 HydrophobicContact CG-CD1 4.22Å; Y501-L579 HydrophobicContact CG-CD2 4.41Å; Y501-L579 HydrophobicContact CG-CG 4.36Å; L512-L579 HydrophobicContact CD2-CD2 3.9Å; L512-L579 HydrophobicContact CG-CD2 4.19Å |
| 580 | V | 79.6 | Confident | 72.9 | Confident | 17 Ų | 17 | 68.5 Ų | 68.5 | 10% | 0.103 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -101.8 | 133.6 | -177.2 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | D495 N500 K584 L585 | D495-V580 HydrophobicContact CB-CG2 3.67Å; N500-V580 HydrophobicContact CB-CG2 4.19Å; V580-K584 HydrophobicContact CG1-CB 3.71Å; V580-K584 HydrophobicContact CG1-CD 4.09Å; V580-K584 HydrophobicContact CG1-CG 4.49Å; V580-L585 HydrophobicContact CG1-CG 4.45Å |
| 581 | Q | 62.6 | Low | 72.3 | Confident | 137 Ų | 137 | 72.8 Ų | 72.8 | 64% | 0.64 | 35% | 0.348 | S | S | * | . | trans | -54.7 | 141.7 | 178.6 | -70.3 | -178.2 | -7.1 | 0 | 0 | 112.1 | E583 K584 L585 | Q581-E583 PolarHBondContact O-N 3.04Å; Q581-E583 VanDerWaalsContact O-N 3.11Å; Q581-K584 PolarHBondContact O-N 3.29Å; Q581-L585 PolarHBondContact O-N 3.36Å | ||
| 582 | K | 58.4 | Low | 71.7 | Confident | 166 Ų | 166 | 68.6 Ų | 68.6 | 72% | 0.722 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -54.4 | -32.7 | -179.6 | -70.6 | 176.3 | -178.9 | 167.9 | 0 | 113.3 | L585 D586 | K582-L585 WeakPolarHBondContact O-CB 3.19Å; K582-L585 PolarHBondContact O-N 3.26Å; K582-D586 PolarHBondContact O-N 3.46Å |
| 583 | E | 49.8 | Very low | 71 | Confident | 163 Ų | 163 | 65.9 Ų | 65.9 | 76% | 0.762 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -70.3 | -29 | 179.2 | -66.5 | -178.9 | 176.4 | 0 | 0 | 113.8 | Q581 L585 | Q581-E583 PolarHBondContact O-N 3.04Å; Q581-E583 VanDerWaalsContact O-N 3.11Å; E583-L585 VanDerWaalsContact C-N 3.29Å |
| 584 | K | 50.8 | Low | 70.1 | Confident | 141 Ų | 141 | 69.8 Ų | 69.8 | 61% | 0.613 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -76.7 | -20.6 | 172.9 | -72.3 | -175.1 | 176.5 | -178 | 0 | 112.2 | R217 V580 Q581 | R217-K584 PolarHBondContact NH1-O 3.43Å; V580-K584 HydrophobicContact CG1-CB 3.71Å; V580-K584 HydrophobicContact CG1-CD 4.09Å; V580-K584 HydrophobicContact CG1-CG 4.49Å; Q581-K584 PolarHBondContact O-N 3.29Å |
| 585 | L | 51.6 | Low | 68.9 | Low | 12 Ų | 12 | 74.9 Ų | 74.9 | 6% | 0.063 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -87.2 | -20.6 | 177.9 | -66.8 | 165.5 | 0 | 0 | 0 | 113.1 | R217 V224 R266 P577 V580 Q581 K582 E583 | R217-L585 PolarHBondContact NH2-O 3.21Å; V224-L585 HydrophobicContact CG2-CD2 4.19Å; R266-L585 VanDerWaalsContact NH2-C 3.31Å; R266-L585 PolarHBondContact NH2-O 3.04Å; R266-L585 VanDerWaalsContact NH2-O 3.11Å; P577-L585 HydrophobicContact CG-CD1 3.71Å; V580-L585 HydrophobicContact CG1-CG 4.45Å; Q581-L585 PolarHBondContact O-N 3.36Å; K582-L585 WeakPolarHBondContact O-CB 3.19Å; K582-L585 PolarHBondContact O-N 3.26Å; E583-L585 VanDerWaalsContact C-N 3.29Å |
| 586 | D | 42.3 | Very low | 67.5 | Low | 88 Ų | 88 | 78.7 Ų | 78.7 | 47% | 0.471 | 38% | 0.381 | S | S | . | . | trans | -98.2 | 0 | 173.7 | -73.8 | -29.1 | 0 | 0 | 0 | 111.3 | S264 R266 K582 | S264-D586 WeakPolarHBondContact CB-OD1 3.43Å; R266-D586 IonicContact CZ-OD1 3.84Å; R266-D586 IonicContact NE-OD1 2.79Å; R266-D586 IonicContact NH2-OD1 3.86Å; R266-D586 PolarHBondContact NH2-OD1 3.32Å; R266-D586 IonicContact NH2-OD2 2.94Å; K582-D586 PolarHBondContact O-N 3.46Å |
Retrieved 586 of 586 residues in 177.6 ms
(Link to these results)