| 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 | 28.4 | Very low | 58.7 | Low | 231 Ų | 231 | 89.5 Ų | 89.5 | 100% | 1.138 | 51% | 0.514 | S | S | * | . | 0 | 124.1 | 0 | -70.7 | 175.6 | -168 | 0 | 0 | 107.4 | I3 | M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.3Å | |||
| 2 | S | 23.4 | Very low | 62 | Low | 123 Ų | 123 | 82 Ų | 82 | 86% | 0.86 | 47% | 0.471 | S | S | * | . | trans | -66.1 | 100.6 | 168.4 | 59.6 | 0 | 0 | 0 | 0 | 107.2 | S4 | S2-S4 PolarHBondContact O-N 3.44Å; S2-S4 VanDerWaalsContact O-N 3.07Å | ||
| 3 | I | 29.9 | Very low | 64.8 | Low | 130 Ų | 130 | 75.7 Ų | 75.7 | 67% | 0.667 | 44% | 0.435 | S | S | * | . | trans | -55.9 | 116 | 170.5 | -59.8 | 168.7 | 0 | 0 | 0 | 104.9 | M1 | M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.3Å | ||
| 4 | S | 29.3 | Very low | 67.2 | Low | 92 Ų | 92 | 70.3 Ų | 70.3 | 64% | 0.643 | 40% | 0.404 | S | S | * | . | trans | -47.8 | 132.7 | 173.1 | 55.7 | 0 | 0 | 0 | 0 | 107.6 | S2 G6 | S2-S4 PolarHBondContact O-N 3.44Å; S2-S4 VanDerWaalsContact O-N 3.07Å; S4-G6 PolarHBondContact O-N 2.94Å | ||
| 5 | P | 37.5 | Very low | 69.3 | Low | 128 Ų | 128 | 65.6 Ų | 65.6 | 83% | 0.831 | 38% | 0.377 | S | S | * | . | trans | -50.7 | 112.7 | 178.3 | 19.6 | -29.8 | 0 | 0 | 0 | 107.4 | K7 | P5-K7 PolarHBondContact O-N 3.05Š| ||
| 6 | G | 55.5 | Low | 71.1 | Confident | 40 Ų | 40 | 61.5 Ų | 61.5 | 41% | 0.412 | 35% | 0.353 | S | S | . | . | trans | -56.5 | 143.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 109 | S4 L8 | S4-G6 PolarHBondContact O-N 2.94Å; G6-L8 PolarHBondContact O-N 2.96Å; G6-L8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | K | 71.9 | Confident | 72.6 | Confident | 79 Ų | 79 | 58 Ų | 58 | 34% | 0.343 | 33% | 0.333 | S | S | . | . | trans | -56.3 | 122.5 | 176.6 | -58.6 | 176.6 | -166.6 | 163.4 | 0 | 108 | P5 E9 H56 N487 | P5-K7 PolarHBondContact O-N 3.05Å; K7-E9 HydrophobicContact CB-CG 3.82Å; K7-E9 WeakPolarHBondContact CD-OE1 3.4Å; K7-E9 PolarHBondContact O-N 2.94Å; K7-H56 PolarHBondContact NZ-ND1 3.38Å; K7-N487 PolarHBondContact O-ND2 3.16Å | ||
| 8 | L | 87.8 | Confident | 74 | Confident | 53 Ų | 53 | 54.8 Ų | 54.8 | 28% | 0.277 | 32% | 0.315 | S | S | . | . | trans | -76.7 | 95.3 | 176.2 | -65 | -178.1 | 0 | 0 | 0 | 107.9 | G6 N73 R74 R75 N485 N487 | G6-L8 PolarHBondContact O-N 2.96Å; G6-L8 VanDerWaalsContact O-N 3.09Å; L8-N73 WeakPolarHBondContact CB-O 3.34Å; L8-R74 HydrophobicContact CB-CG 4.36Å; L8-R74 CarbonylContact O-C 3.58Å; L8-R74 VanDerWaalsContact O-CA 3.27Å; L8-R74 WeakPolarHBondContact O-CA 3.38Å; L8-R75 PolarHBondContact O-N 3.13Å; L8-N485 VanDerWaalsContact CD2-O 3.25Å; L8-N485 WeakPolarHBondContact CD2-O 3.11Å; L8-N487 WeakPolarHBondContact CD2-OD1 3.41Å | ||
| 9 | E | 91.8 | Very high | 75.1 | Confident | 14 Ų | 14 | 51.9 Ų | 51.9 | 7% | 0.065 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 154.8 | -174.8 | -69.6 | -176.5 | -179.9 | 0 | 0 | 110.4 | K7 Y52 Y57 R74 R75 L77 | K7-E9 HydrophobicContact CB-CG 3.82Å; K7-E9 WeakPolarHBondContact CD-OE1 3.4Å; K7-E9 PolarHBondContact O-N 2.94Å; E9-Y52 PolarHBondContact OE1-OH 2.53Å; E9-Y57 PolarHBondContact OE1-OH 2.87Å; E9-Y57 PolarHBondContact OE2-OH 3.03Å; E9-R74 PolarHBondContact O-NH1 3.18Å; E9-R75 CarbonylContact C-O 3.5Å; E9-R75 WeakPolarHBondContact CA-O 3.39Å; E9-R75 HydrophobicContact CG-CB 4.29Å; E9-L77 HydrophobicContact CB-CD1 3.75Å; E9-L77 HydrophobicContact CG-CD1 3.64Å; E9-L77 WeakPolarHBondContact OE2-CD2 3.44Å |
| 10 | S | 94.5 | Very high | 76.1 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.014 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 136.6 | 172.1 | -173.3 | 0 | 0 | 0 | 0 | 109.4 | R75 L77 D112 G169 | S10-R75 PolarHBondContact N-O 3.45Å; S10-L77 PolarHBondContact O-N 3.43Å; S10-D112 WeakPolarHBondContact CA-OD2 2.9Å; S10-D112 WeakPolarHBondContact OG-CB 3.46Å; S10-D112 PolarHBondContact OG-OD2 3.15Å; S10-G169 WeakPolarHBondContact CB-O 2.93Å; S10-G169 VanDerWaalsContact OG-CA 3.23Å; S10-G169 WeakPolarHBondContact OG-CA 3.35Å; S10-G169 PolarHBondContact OG-O 2.78Å |
| 11 | K | 95.6 | Very high | 77.1 | Confident | 92 Ų | 92 | 48.5 Ų | 48.5 | 40% | 0.4 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 120.2 | -178.1 | -65.7 | -174.7 | -179.6 | -174 | 0 | 110.1 | L77 Y111 D112 | K11-L77 CarbonylContact C-O 3.57Å; K11-L77 WeakPolarHBondContact CA-O 3.41Å; K11-Y111 HydrophobicContact CB-CD1 4.01Å; K11-Y111 CarbonylContact O-C 3.28Å; K11-Y111 WeakPolarHBondContact O-CA 3.46Å; K11-D112 PolarHBondContact N-OD2 3.11Å; K11-D112 PolarHBondContact O-N 3.05Å |
| 12 | V | 98.2 | Very high | 80.2 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133.2 | 178.7 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | V14 V76 L77 Y78 R79 Y111 G113 V115 L165 A168 | V12-V14 HydrophobicContact CG1-CG2 4.47Å; V12-V76 HydrophobicContact CB-CG1 4.22Å; V12-V76 HydrophobicContact CG2-CG1 3.76Å; V12-L77 PolarHBondContact N-O 2.59Å; V12-Y78 WeakPolarHBondContact O-CA 3.48Å; V12-Y78 WeakPolarHBondContact O-CB 3.32Å; V12-R79 PolarHBondContact O-N 3.14Å; V12-R79 VanDerWaalsContact O-N 3.1Å; V12-Y111 VanDerWaalsContact C-CD1 3.48Å; V12-G113 WeakPolarHBondContact CA-O 3.39Å; V12-V115 HydrophobicContact CG1-CB 4.43Å; V12-V115 HydrophobicContact CG1-CG2 3.79Å; V12-L165 HydrophobicContact CB-CD2 4.37Å; V12-L165 HydrophobicContact CG1-CD2 3.96Å; V12-A168 HydrophobicContact CG1-CB 3.82Å; V12-A168 HydrophobicContact CG2-CB 3.94Å |
| 13 | L | 98.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 125.7 | 171.3 | -179.6 | 62.5 | 0 | 0 | 0 | 109.5 | L15 I81 C107 Y111 G113 F114 V115 | L13-L15 HydrophobicContact CD1-CD2 4.34Å; L13-L15 HydrophobicContact CD2-CD2 3.9Å; L13-L15 HydrophobicContact CG-CD2 3.9Å; L13-L15 HydrophobicContact CG-CG 4.43Å; L13-I81 HydrophobicContact CD1-CD1 3.68Å; L13-I81 HydrophobicContact CD1-CG1 3.89Å; L13-C107 HydrophobicContact CD2-CB 3.9Å; L13-Y111 HydrophobicContact CB-CD1 3.72Å; L13-Y111 HydrophobicContact CB-CD2 3.86Å; L13-Y111 HydrophobicContact CB-CE1 3.88Å; L13-Y111 HydrophobicContact CB-CE2 4.04Å; L13-Y111 HydrophobicContact CB-CG 3.69Å; L13-Y111 HydrophobicContact CD1-CE1 4.26Å; L13-Y111 HydrophobicContact CD1-CE2 4.19Å; L13-Y111 HydrophobicContact CD2-CD2 4.27Å; L13-Y111 HydrophobicContact CD2-CE2 4.13Å; L13-Y111 HydrophobicContact CG-CE2 4.36Å; L13-G113 PolarHBondContact N-O 3.04Å; L13-G113 VanDerWaalsContact N-O 3.09Å; L13-F114 HydrophobicContact CB-CD1 3.85Å; L13-F114 HydrophobicContact CB-CE1 4.16Å; L13-F114 HydrophobicContact CD2-CD1 4.11Å; L13-F114 HydrophobicContact CD2-CE1 4.18Å; L13-F114 HydrophobicContact CG-CD1 4.45Å; L13-F114 CarbonylContact O-C 3.55Å; L13-F114 WeakPolarHBondContact O-CA 3.44Å; L13-V115 PolarHBondContact O-N 2.84Å |
| 14 | V | 98.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 116.6 | 175.5 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | V12 Y78 R79 L80 I81 V115 L117 L165 | V12-V14 HydrophobicContact CG1-CG2 4.47Å; V14-Y78 HydrophobicContact CG2-CD2 3.64Å; V14-Y78 HydrophobicContact CG2-CG 4.19Å; V14-R79 PolarHBondContact N-O 3.32Å; V14-L80 HydrophobicContact CB-CB 4.35Å; V14-L80 HydrophobicContact CB-CG 4.39Å; V14-L80 HydrophobicContact CG1-CD1 4.28Å; V14-L80 HydrophobicContact CG1-CG 4.27Å; V14-L80 CarbonylContact O-C 3.51Å; V14-L80 WeakPolarHBondContact O-CA 3.31Å; V14-I81 PolarHBondContact O-N 3.34Å; V14-V115 CarbonylContact C-O 3.56Å; V14-V115 VanDerWaalsContact CA-O 3.3Å; V14-V115 WeakPolarHBondContact CA-O 3.45Å; V14-V115 HydrophobicContact CG1-CB 4.42Å; V14-V115 HydrophobicContact CG1-CG1 4.34Å; V14-V115 HydrophobicContact CG2-CB 4.19Å; V14-L117 HydrophobicContact CG1-CD1 3.82Å; V14-L117 HydrophobicContact CG1-CG 3.82Å; V14-L165 HydrophobicContact CG2-CD2 3.85Å |
| 15 | L | 98.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 114.7 | 173.5 | -57.2 | -177.3 | 0 | 0 | 0 | 108.8 | L13 I81 Y83 I100 N103 I104 V115 I116 L117 | L13-L15 HydrophobicContact CD1-CD2 4.34Å; L13-L15 HydrophobicContact CD2-CD2 3.9Å; L13-L15 HydrophobicContact CG-CD2 3.9Å; L13-L15 HydrophobicContact CG-CG 4.43Å; L15-I81 HydrophobicContact CD2-CB 4.06Å; L15-I81 HydrophobicContact CD2-CD1 4.38Å; L15-Y83 HydrophobicContact CB-CE1 4.23Å; L15-Y83 HydrophobicContact CD2-CE1 4.29Å; L15-I100 HydrophobicContact CD1-CG2 4.18Å; L15-N103 HydrophobicContact CD1-CB 4.27Å; L15-I104 HydrophobicContact CD1-CD1 4.22Å; L15-I104 HydrophobicContact CD1-CG1 3.69Å; L15-V115 PolarHBondContact N-O 3.47Å; L15-I116 CarbonylContact O-C 3.58Å; L15-I116 WeakPolarHBondContact O-CA 3.44Å; L15-L117 PolarHBondContact O-N 2.93Å |
| 16 | Y | 97.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 103.3 | 177.3 | 177.3 | -142.2 | 0 | 0 | 0 | 110.5 | G18 I21 G22 L37 I81 E82 Y83 L86 L117 | Y16-G18 VanDerWaalsContact CE2-CA 3.44Å; Y16-G18 VanDerWaalsContact CE2-O 3.3Å; Y16-G18 WeakPolarHBondContact CE2-O 3.41Å; Y16-I21 HydrophobicContact CE2-CG2 4.2Å; Y16-G22 VanDerWaalsContact OH-CA 3.23Å; Y16-G22 WeakPolarHBondContact OH-CA 3.13Å; Y16-G22 PolarHBondContact OH-O 2.82Å; Y16-L37 HydrophobicContact CD1-CB 4.13Å; Y16-L37 HydrophobicContact CD1-CD2 3.66Å; Y16-L37 HydrophobicContact CD1-CG 4.45Å; Y16-L37 HydrophobicContact CD2-CD2 3.66Å; Y16-L37 HydrophobicContact CE1-CB 3.68Å; Y16-L37 HydrophobicContact CE1-CD2 3.69Å; Y16-L37 HydrophobicContact CE1-CG 4.32Å; Y16-L37 HydrophobicContact CE2-CD2 3.65Å; Y16-L37 HydrophobicContact CG-CD2 3.7Å; Y16-I81 PolarHBondContact N-O 3.38Å; Y16-E82 HydrophobicContact CD1-CB 4.38Å; Y16-E82 HydrophobicContact CD1-CG 3.72Å; Y16-E82 HydrophobicContact CE1-CG 4.25Å; Y16-Y83 WeakPolarHBondContact O-CB 3.43Å; Y16-Y83 PolarHBondContact O-N 3.21Å; Y16-L86 HydrophobicContact CD1-CD1 4.44Å; Y16-L86 HydrophobicContact CD1-CD2 3.69Å; Y16-L86 HydrophobicContact CD2-CD2 4.34Å; Y16-L86 HydrophobicContact CE1-CD1 3.56Å; Y16-L86 HydrophobicContact CE1-CD2 3.49Å; Y16-L86 VanDerWaalsContact CE1-CD2 3.49Å; Y16-L86 HydrophobicContact CE1-CG 4.19Å; Y16-L86 HydrophobicContact CE2-CD2 4.2Å; Y16-L86 HydrophobicContact CG-CD2 4.09Å; Y16-L117 HydrophobicContact CD2-CB 3.78Å; Y16-L117 HydrophobicContact CD2-CD1 4.3Å |
| 17 | T | 97.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -15.8 | -175.9 | 64.5 | 0 | 0 | 0 | 0 | 113.2 | Y83 L87 M92 I100 I116 L117 | T17-Y83 HydrophobicContact CG2-CD2 4.08Å; T17-Y83 HydrophobicContact CG2-CE2 4.02Å; T17-Y83 HydrophobicContact CG2-CG 4.49Å; T17-L87 PolarHBondContact O-N 3.47Å; T17-M92 HydrophobicContact CG2-CE 4.41Å; T17-M92 VanDerWaalsContact OG1-CE 3.22Å; T17-M92 WeakPolarHBondContact OG1-CE 3.1Å; T17-I100 HydrophobicContact CG2-CD1 3.85Å; T17-I100 HydrophobicContact CG2-CG1 3.99Å; T17-I116 HydrophobicContact CG2-CG2 3.92Å; T17-L117 PolarHBondContact N-O 2.92Å; T17-L117 PolarHBondContact OG1-O 2.96Å |
| 18 | G | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 126.8 | -151.8 | -176 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y16 L87 | Y16-G18 VanDerWaalsContact CE2-CA 3.44Å; Y16-G18 VanDerWaalsContact CE2-O 3.3Å; Y16-G18 WeakPolarHBondContact CE2-O 3.41Å; G18-L87 CarbonylContact C-O 3.51Å; G18-L87 VanDerWaalsContact CA-O 3.31Å; G18-L87 WeakPolarHBondContact CA-O 2.97Å |
| 19 | G | 95.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 83.9 | 168.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | I21 G22 L87 | G19-I21 PolarHBondContact O-N 2.69Å; G19-G22 PolarHBondContact O-N 3.34Å; G19-L87 PolarHBondContact N-O 3.05Å |
| 20 | T | 95.6 | Very high | 93.7 | Very high | 32 Ų | 32 | 43 Ų | 43 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -51.9 | -33.2 | -171.1 | -48.4 | 0 | 0 | 0 | 0 | 114.1 | G22 M23 S146 Q147 P149 | T20-G22 PolarHBondContact O-N 3.23Å; T20-M23 PolarHBondContact O-N 2.79Å; T20-S146 WeakPolarHBondContact CB-O 3.34Å; T20-Q147 WeakPolarHBondContact CG2-O 3.35Å; T20-P149 HydrophobicContact CG2-CG 3.92Å; T20-P149 VanDerWaalsContact O-CA 3.25Å; T20-P149 WeakPolarHBondContact O-CA 3.36Å; T20-P149 VanDerWaalsContact O-CB 3.29Å; T20-P149 WeakPolarHBondContact O-CB 3.13Å; T20-P149 WeakPolarHBondContact O-CG 3.27Å |
| 21 | I | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -52.1 | -35.1 | -177.6 | -166.4 | 169.9 | 0 | 0 | 0 | 114.3 | Y16 G19 L37 L117 S146 I150 | Y16-I21 HydrophobicContact CE2-CG2 4.2Å; G19-I21 PolarHBondContact O-N 2.69Å; I21-L37 HydrophobicContact CG2-CD2 4.45Å; I21-L117 HydrophobicContact CD1-CD2 3.84Å; I21-L117 HydrophobicContact CG2-CB 4.31Å; I21-S146 WeakPolarHBondContact CA-OG 3.25Å; I21-S146 WeakPolarHBondContact CB-OG 3.48Å; I21-S146 PolarHBondContact N-OG 3.47Å; I21-I150 HydrophobicContact CG1-CB 4.3Å; I21-I150 WeakPolarHBondContact O-CB 3.49Å; I21-I150 WeakPolarHBondContact O-CG2 3.39Å; I21-I150 PolarHBondContact O-N 3.19Å |
| 22 | G | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -116.6 | 16.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y16 G19 T20 Y36 | Y16-G22 VanDerWaalsContact OH-CA 3.23Å; Y16-G22 WeakPolarHBondContact OH-CA 3.13Å; Y16-G22 PolarHBondContact OH-O 2.82Å; G19-G22 PolarHBondContact O-N 3.34Å; T20-G22 PolarHBondContact O-N 3.23Å; G22-Y36 WeakPolarHBondContact O-CD1 3.41Å |
| 23 | M | 94 | Very high | 92.8 | Very high | 10 Ų | 10 | 44.2 Ų | 44.2 | 5% | 0.049 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 151.2 | 175.1 | -71 | -176 | 173.3 | 0 | 0 | 111.6 | T20 Y30 V31 P32 P149 | T20-M23 PolarHBondContact O-N 2.79Å; M23-Y30 HydrophobicContact CB-CD1 4.32Å; M23-V31 VanDerWaalsContact CA-O 3.25Å; M23-V31 WeakPolarHBondContact CA-O 3.25Å; M23-V31 WeakPolarHBondContact CB-O 3.44Å; M23-P32 HydrophobicContact CE-CG 3.95Å; M23-P149 WeakPolarHBondContact O-CB 3.45Å |
| 24 | Q | 91.3 | Very high | 92.5 | Very high | 68 Ų | 68 | 46.5 Ų | 46.5 | 32% | 0.318 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 142.1 | 171.8 | -168.9 | -179.2 | 12.9 | 0 | 0 | 109.4 | Q26 V31 V33 Y36 | Q24-Q26 PolarHBondContact O-N 2.99Å; Q24-V31 PolarHBondContact N-O 3.13Å; Q24-V31 PolarHBondContact O-N 3.39Å; Q24-V31 VanDerWaalsContact O-N 3.08Å; Q24-V33 HydrophobicContact CB-CB 4.33Å; Q24-V33 HydrophobicContact CB-CG2 3.67Å; Q24-Y36 HydrophobicContact CB-CD1 4.26Å; Q24-Y36 HydrophobicContact CB-CE1 4.05Å; Q24-Y36 HydrophobicContact CB-CE2 4.49Å; Q24-Y36 HydrophobicContact CG-CE1 4.38Å; Q24-Y36 HydrophobicContact CG-CE2 4.14Å |
| 25 | S | 88.7 | Confident | 92.1 | Very high | 57 Ų | 57 | 51.1 Ų | 51.1 | 40% | 0.399 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 115.6 | 172.9 | -170.6 | 0 | 0 | 0 | 0 | 109.8 | V29 | S25-V29 WeakPolarHBondContact CA-O 3.41Å |
| 26 | Q | 88.4 | Confident | 91.9 | Very high | 94 Ų | 94 | 53.9 Ų | 53.9 | 44% | 0.439 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 123.6 | 169.4 | -61.5 | -173.1 | 13.1 | 0 | 0 | 107.8 | Q24 K28 V29 V31 V33 | Q24-Q26 PolarHBondContact O-N 2.99Å; Q26-K28 PolarHBondContact O-N 3.27Å; Q26-V29 PolarHBondContact N-O 3.23Å; Q26-V29 PolarHBondContact O-N 2.75Å; Q26-V31 HydrophobicContact CB-CG2 4.07Å; Q26-V31 HydrophobicContact CG-CG2 3.84Å; Q26-V33 VanDerWaalsContact NE2-CG2 3.29Å |
| 27 | N | 87.1 | Confident | 91.7 | Very high | 160 Ų | 160 | 53.9 Ų | 53.9 | 86% | 0.856 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 37.9 | -176.7 | -59.8 | -35.3 | 0 | 0 | 0 | 114.2 | V29 | N27-V29 PolarHBondContact O-N 2.92Š|
| 28 | K | 85 | Confident | 91.4 | Very high | 202 Ų | 202 | 54.3 Ų | 54.3 | 88% | 0.878 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 15.3 | -177.3 | -50.5 | 178.1 | 179.2 | 178 | 0 | 115 | Q26 | Q26-K28 PolarHBondContact O-N 3.27Š|
| 29 | V | 86.8 | Confident | 91.2 | Very high | 90 Ų | 90 | 58.2 Ų | 58.2 | 55% | 0.545 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 135.3 | 171.9 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | S25 Q26 N27 V31 | S25-V29 WeakPolarHBondContact CA-O 3.41Å; Q26-V29 PolarHBondContact N-O 3.23Å; Q26-V29 PolarHBondContact O-N 2.75Å; N27-V29 PolarHBondContact O-N 2.92Å; V29-V31 HydrophobicContact CG1-CG1 4.36Å |
| 30 | Y | 89.1 | Confident | 91.1 | Very high | 93 Ų | 93 | 59.5 Ų | 59.5 | 37% | 0.365 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 125.6 | 174.2 | -73.3 | -70.7 | 0 | 0 | 0 | 109.6 | M23 P149 E152 | M23-Y30 HydrophobicContact CB-CD1 4.32Å; Y30-P149 HydrophobicContact CD1-CG 3.66Å; Y30-P149 HydrophobicContact CE1-CG 3.56Å; Y30-P149 HydrophobicContact CG-CG 4.31Å; Y30-E152 PolarHBondContact OH-OE1 2.84Å |
| 31 | V | 87.7 | Confident | 91 | Very high | 46 Ų | 46 | 58 Ų | 58 | 28% | 0.279 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 149.5 | 178.3 | -63.8 | 0 | 0 | 0 | 0 | 110.2 | M23 Q24 Q26 V29 V33 | M23-V31 VanDerWaalsContact CA-O 3.25Å; M23-V31 WeakPolarHBondContact CA-O 3.25Å; M23-V31 WeakPolarHBondContact CB-O 3.44Å; Q24-V31 PolarHBondContact N-O 3.13Å; Q24-V31 PolarHBondContact O-N 3.39Å; Q24-V31 VanDerWaalsContact O-N 3.08Å; Q26-V31 HydrophobicContact CB-CG2 4.07Å; Q26-V31 HydrophobicContact CG-CG2 3.84Å; V29-V31 HydrophobicContact CG1-CG1 4.36Å; V31-V33 HydrophobicContact CG2-CG2 4.14Å; V31-V33 PolarHBondContact O-N 2.78Å |
| 32 | P | 89.8 | Confident | 90.8 | Very high | 44 Ų | 44 | 61.6 Ų | 61.6 | 29% | 0.286 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 132.5 | 171.7 | -17.9 | 31.5 | 0 | 0 | 0 | 110.3 | M23 L86 | M23-P32 HydrophobicContact CE-CG 3.95Å; P32-L86 HydrophobicContact CB-CB 3.58Å; P32-L86 HydrophobicContact CB-CD1 4.25Å |
| 33 | V | 90.7 | Very high | 90.6 | Very high | 30 Ų | 30 | 66.9 Ų | 66.9 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | trans | -127.6 | 121.8 | 178.9 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | Q24 Q26 V31 Y36 | Q24-V33 HydrophobicContact CB-CB 4.33Å; Q24-V33 HydrophobicContact CB-CG2 3.67Å; Q26-V33 VanDerWaalsContact NE2-CG2 3.29Å; V31-V33 HydrophobicContact CG2-CG2 4.14Å; V31-V33 PolarHBondContact O-N 2.78Å; V33-Y36 WeakPolarHBondContact O-CB 3.48Å; V33-Y36 PolarHBondContact O-N 3.16Å | ||
| 34 | A | 91.9 | Very high | 90.6 | Very high | 48 Ų | 48 | 68 Ų | 68 | 40% | 0.397 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 142.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y36 E82 | A34-Y36 PolarHBondContact O-N 3.33Å; A34-E82 WeakPolarHBondContact CA-OE1 3.41Å |
| 35 | N | 91.6 | Very high | 90.7 | Very high | 97 Ų | 97 | 72.9 Ų | 72.9 | 52% | 0.519 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 1.6 | -178.4 | -58.5 | -73.6 | 0 | 0 | 0 | 115.9 | N39 E82 | N35-N39 WeakPolarHBondContact O-CB 3.41Å; N35-N39 VanDerWaalsContact O-CG 3.29Å; N35-N39 PolarHBondContact O-N 3.24Å; N35-N39 PolarHBondContact O-ND2 2.69Å; N35-E82 VanDerWaalsContact N-CD 3.34Å; N35-E82 PolarHBondContact N-OE1 3.44Å; N35-E82 PolarHBondContact N-OE2 3.1Å |
| 36 | Y | 92.8 | Very high | 90.9 | Very high | 58 Ų | 58 | 72.5 Ų | 72.5 | 23% | 0.227 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69.4 | -50.7 | -177.6 | 179.8 | -111.3 | 0 | 0 | 0 | 111.7 | G22 Q24 V33 A34 L38 N39 A40 S151 | G22-Y36 WeakPolarHBondContact O-CD1 3.41Å; Q24-Y36 HydrophobicContact CB-CD1 4.26Å; Q24-Y36 HydrophobicContact CB-CE1 4.05Å; Q24-Y36 HydrophobicContact CB-CE2 4.49Å; Q24-Y36 HydrophobicContact CG-CE1 4.38Å; Q24-Y36 HydrophobicContact CG-CE2 4.14Å; V33-Y36 WeakPolarHBondContact O-CB 3.48Å; V33-Y36 PolarHBondContact O-N 3.16Å; A34-Y36 PolarHBondContact O-N 3.33Å; Y36-L38 PolarHBondContact O-N 3.24Å; Y36-N39 PolarHBondContact O-N 2.67Å; Y36-A40 PolarHBondContact O-N 2.98Å; Y36-S151 WeakPolarHBondContact CE1-OG 3.22Å; Y36-S151 WeakPolarHBondContact OH-CB 3.48Å; Y36-S151 PolarHBondContact OH-OG 2.85Å |
| 37 | L | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.2 | -44.8 | -177 | 179.4 | 60.1 | 0 | 0 | 0 | 112.1 | Y16 I21 N39 A40 I41 L117 I150 | Y16-L37 HydrophobicContact CD1-CB 4.13Å; Y16-L37 HydrophobicContact CD1-CD2 3.66Å; Y16-L37 HydrophobicContact CD1-CG 4.45Å; Y16-L37 HydrophobicContact CD2-CD2 3.66Å; Y16-L37 HydrophobicContact CE1-CB 3.68Å; Y16-L37 HydrophobicContact CE1-CD2 3.69Å; Y16-L37 HydrophobicContact CE1-CG 4.32Å; Y16-L37 HydrophobicContact CE2-CD2 3.65Å; Y16-L37 HydrophobicContact CG-CD2 3.7Å; I21-L37 HydrophobicContact CG2-CD2 4.45Å; L37-N39 VanDerWaalsContact C-N 3.29Å; L37-N39 PolarHBondContact O-N 2.94Å; L37-A40 WeakPolarHBondContact O-CB 3.47Å; L37-A40 PolarHBondContact O-N 2.83Å; L37-I41 HydrophobicContact CD1-CD1 3.89Å; L37-I41 HydrophobicContact CD1-CG1 4.07Å; L37-I41 HydrophobicContact CD2-CD1 4.4Å; L37-I41 HydrophobicContact CG-CD1 3.81Å; L37-I41 HydrophobicContact CG-CG1 4.38Å; L37-I41 WeakPolarHBondContact O-CG1 3.43Å; L37-I41 PolarHBondContact O-N 2.99Å; L37-L117 HydrophobicContact CD2-CD1 3.63Å; L37-I150 HydrophobicContact CD1-CB 4.42Å; L37-I150 HydrophobicContact CD1-CG2 3.43Å; L37-I150 VanDerWaalsContact CD1-CG2 3.43Å |
| 38 | L | 91.8 | Very high | 91.7 | Very high | 11 Ų | 11 | 60.9 Ų | 60.9 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60 | -41.3 | 179.2 | -179.5 | 59.3 | 0 | 0 | 0 | 111.5 | Y36 R42 L80 | Y36-L38 PolarHBondContact O-N 3.24Å; L38-R42 HydrophobicContact CD1-CG 4.34Å; L38-R42 WeakPolarHBondContact O-CB 3.28Å; L38-R42 VanDerWaalsContact O-CG 3.31Å; L38-R42 WeakPolarHBondContact O-CG 3.43Å; L38-R42 PolarHBondContact O-N 3.27Å; L38-L80 HydrophobicContact CB-CD2 4.46Å; L38-L80 HydrophobicContact CD1-CB 4.2Å; L38-L80 HydrophobicContact CD1-CD2 4.44Å |
| 39 | N | 92.2 | Very high | 92.2 | Very high | 82 Ų | 82 | 52.9 Ų | 52.9 | 44% | 0.439 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.5 | -38.9 | 176.3 | -73.8 | -29.5 | 0 | 0 | 0 | 112.3 | N35 Y36 L37 N43 | N35-N39 WeakPolarHBondContact O-CB 3.41Å; N35-N39 VanDerWaalsContact O-CG 3.29Å; N35-N39 PolarHBondContact O-N 3.24Å; N35-N39 PolarHBondContact O-ND2 2.69Å; Y36-N39 PolarHBondContact O-N 2.67Å; L37-N39 VanDerWaalsContact C-N 3.29Å; L37-N39 PolarHBondContact O-N 2.94Å; N39-N43 PolarHBondContact O-N 3.04Å; N39-N43 PolarHBondContact O-ND2 3.3Å |
| 40 | A | 92.9 | Very high | 92.5 | Very high | 28 Ų | 28 | 53.1 Ų | 53.1 | 23% | 0.231 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62 | -49.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y36 L37 R42 N43 D44 I150 | Y36-A40 PolarHBondContact O-N 2.98Å; L37-A40 WeakPolarHBondContact O-CB 3.47Å; L37-A40 PolarHBondContact O-N 2.83Å; A40-R42 PolarHBondContact O-N 2.83Å; A40-N43 PolarHBondContact O-N 2.94Å; A40-D44 PolarHBondContact O-N 2.91Å; A40-D44 VanDerWaalsContact O-N 3.1Å; A40-I150 HydrophobicContact CB-CG2 4.28Å |
| 41 | I | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 178.1 | -71.2 | 172 | 0 | 0 | 0 | 111.3 | L37 N43 D44 L47 N48 Y78 L80 L161 | L37-I41 HydrophobicContact CD1-CD1 3.89Å; L37-I41 HydrophobicContact CD1-CG1 4.07Å; L37-I41 HydrophobicContact CD2-CD1 4.4Å; L37-I41 HydrophobicContact CG-CD1 3.81Å; L37-I41 HydrophobicContact CG-CG1 4.38Å; L37-I41 WeakPolarHBondContact O-CG1 3.43Å; L37-I41 PolarHBondContact O-N 2.99Å; I41-N43 PolarHBondContact O-N 3.39Å; I41-N43 VanDerWaalsContact O-N 3.17Å; I41-D44 PolarHBondContact O-N 3.21Å; I41-D44 VanDerWaalsContact O-N 3.14Å; I41-L47 HydrophobicContact CG1-CD1 4.13Å; I41-L47 HydrophobicContact CG2-CB 4.13Å; I41-N48 WeakPolarHBondContact O-CB 3.47Å; I41-Y78 HydrophobicContact CG2-CE2 4.23Å; I41-Y78 WeakPolarHBondContact CG2-OH 3.27Å; I41-L80 HydrophobicContact CD1-CD1 3.65Å; I41-L161 HydrophobicContact CD1-CD2 3.9Å; I41-L161 HydrophobicContact CG1-CD2 4.35Å |
| 42 | R | 92.2 | Very high | 93.1 | Very high | 75 Ų | 75 | 52.2 Ų | 52.2 | 28% | 0.283 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.1 | -30.6 | -179.3 | -83.1 | 177.1 | 165.5 | 163.6 | -1.7 | 112.8 | L38 A40 N48 K50 N62 | L38-R42 HydrophobicContact CD1-CG 4.34Å; L38-R42 WeakPolarHBondContact O-CB 3.28Å; L38-R42 VanDerWaalsContact O-CG 3.31Å; L38-R42 WeakPolarHBondContact O-CG 3.43Å; L38-R42 PolarHBondContact O-N 3.27Å; A40-R42 PolarHBondContact O-N 2.83Å; R42-N48 PolarHBondContact O-ND2 3.14Å; R42-N48 VanDerWaalsContact O-ND2 3.07Å; R42-K50 WeakPolarHBondContact O-CE 3.12Å; R42-K50 PolarHBondContact O-NZ 2.85Å; R42-N62 VanDerWaalsContact NH2-CA 3.25Å; R42-N62 VanDerWaalsContact NH2-N 3.18Å; R42-N62 PolarHBondContact NH2-OD1 2.59Å |
| 43 | N | 91.6 | Very high | 93.2 | Very high | 112 Ų | 112 | 51.2 Ų | 51.2 | 60% | 0.599 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -93.6 | -10.9 | -178.4 | -69.3 | -37.8 | 0 | 0 | 0 | 114 | N39 A40 I41 K50 | N39-N43 PolarHBondContact O-N 3.04Å; N39-N43 PolarHBondContact O-ND2 3.3Å; A40-N43 PolarHBondContact O-N 2.94Å; I41-N43 PolarHBondContact O-N 3.39Å; I41-N43 VanDerWaalsContact O-N 3.17Å; N43-K50 PolarHBondContact OD1-NZ 2.99Å |
| 44 | D | 92.8 | Very high | 93.3 | Very high | 33 Ų | 33 | 56.3 Ų | 56.3 | 18% | 0.176 | 30% | 0.295 | C | S | . | . | trans | -86.2 | 111.7 | 174.7 | -168.4 | -32.3 | 0 | 0 | 0 | 110.5 | A40 I41 S46 L47 N48 R158 | A40-D44 PolarHBondContact O-N 2.91Å; A40-D44 VanDerWaalsContact O-N 3.1Å; I41-D44 PolarHBondContact O-N 3.21Å; I41-D44 VanDerWaalsContact O-N 3.14Å; D44-S46 VanDerWaalsContact CG-OG 3.27Å; D44-S46 PolarHBondContact O-N 3.32Å; D44-S46 VanDerWaalsContact OD1-CB 3.31Å; D44-S46 WeakPolarHBondContact OD1-CB 3.25Å; D44-S46 PolarHBondContact OD1-N 3.32Å; D44-S46 PolarHBondContact OD1-OG 2.98Å; D44-S46 PolarHBondContact OD2-OG 3.32Å; D44-L47 HydrophobicContact CB-CB 4.28Å; D44-L47 HydrophobicContact CB-CD1 4.08Å; D44-L47 HydrophobicContact CB-CG 4.27Å; D44-L47 PolarHBondContact O-N 3.42Å; D44-N48 PolarHBondContact O-N 3.23Å; D44-R158 IonicContact OD2-CZ 3.65Å; D44-R158 IonicContact OD2-NE 2.72Å; D44-R158 PolarHBondContact OD2-NE 3.17Å; D44-R158 IonicContact OD2-NH2 3.23Å; D44-R158 PolarHBondContact OD2-NH2 3.01Å | ||
| 45 | Q | 93.7 | Very high | 93.3 | Very high | 170 Ų | 170 | 61.8 Ų | 61.8 | 79% | 0.794 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22.5 | 180 | -66.3 | -179.5 | -5.1 | 0 | 0 | 113.4 | L47 P67 | Q45-L47 VanDerWaalsContact C-N 3.28Å; Q45-P67 WeakPolarHBondContact O-CG 3.39Å |
| 46 | S | 93.2 | Very high | 93.2 | Very high | 49 Ų | 49 | 60.1 Ų | 60.1 | 34% | 0.343 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -16.9 | 175.8 | 71.8 | 0 | 0 | 0 | 0 | 113 | D44 L66 P67 R158 | D44-S46 VanDerWaalsContact CG-OG 3.27Å; D44-S46 PolarHBondContact O-N 3.32Å; D44-S46 VanDerWaalsContact OD1-CB 3.31Å; D44-S46 WeakPolarHBondContact OD1-CB 3.25Å; D44-S46 PolarHBondContact OD1-N 3.32Å; D44-S46 PolarHBondContact OD1-OG 2.98Å; D44-S46 PolarHBondContact OD2-OG 3.32Å; S46-L66 WeakPolarHBondContact O-CD1 3.35Å; S46-P67 VanDerWaalsContact O-CD 3.28Å; S46-P67 WeakPolarHBondContact O-CD 3.44Å; S46-R158 VanDerWaalsContact OG-CD 3.31Å; S46-R158 WeakPolarHBondContact OG-CD 3.3Å; S46-R158 PolarHBondContact OG-NE 3.28Å |
| 47 | L | 95.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -22 | -179.3 | -60.8 | 174.6 | 0 | 0 | 0 | 112.6 | I41 D44 Q45 Y78 I150 R158 L161 V162 | I41-L47 HydrophobicContact CG1-CD1 4.13Å; I41-L47 HydrophobicContact CG2-CB 4.13Å; D44-L47 HydrophobicContact CB-CB 4.28Å; D44-L47 HydrophobicContact CB-CD1 4.08Å; D44-L47 HydrophobicContact CB-CG 4.27Å; D44-L47 PolarHBondContact O-N 3.42Å; Q45-L47 VanDerWaalsContact C-N 3.28Å; L47-Y78 WeakPolarHBondContact O-CE1 3.42Å; L47-Y78 PolarHBondContact O-OH 2.79Å; L47-I150 HydrophobicContact CD1-CD1 3.63Å; L47-R158 HydrophobicContact CD1-CG 4.49Å; L47-R158 HydrophobicContact CD2-CG 4.19Å; L47-R158 HydrophobicContact CG-CG 4.42Å; L47-L161 HydrophobicContact CD1-CD2 4.3Å; L47-L161 HydrophobicContact CD2-CD2 4.24Å; L47-L161 HydrophobicContact CD2-CG 4.5Å; L47-V162 HydrophobicContact CD2-CG2 3.46Å; L47-V162 VanDerWaalsContact CD2-CG2 3.46Å |
| 48 | N | 96.2 | Very high | 92.6 | Very high | 9 Ų | 9 | 67.8 Ų | 67.8 | 5% | 0.048 | 33% | 0.327 | C | S | . | . | trans | -142.7 | 110.9 | -174.7 | -171.7 | 41 | 0 | 0 | 0 | 113.6 | I41 R42 D44 K50 I53 C64 V65 | I41-N48 WeakPolarHBondContact O-CB 3.47Å; R42-N48 PolarHBondContact O-ND2 3.14Å; R42-N48 VanDerWaalsContact O-ND2 3.07Å; D44-N48 PolarHBondContact O-N 3.23Å; N48-K50 PolarHBondContact O-N 2.72Å; N48-I53 WeakPolarHBondContact OD1-CD1 3.34Å; N48-C64 WeakPolarHBondContact OD1-CA 3.28Å; N48-V65 CarbonylContact C-O 3.49Å; N48-V65 WeakPolarHBondContact CA-O 3.47Å; N48-V65 PolarHBondContact OD1-N 2.69Å | ||
| 49 | D | 96.1 | Very high | 92.3 | Very high | 34 Ų | 34 | 76.2 Ų | 76.2 | 18% | 0.182 | 36% | 0.364 | C | S | . | . | trans | -87.2 | 89.1 | 172.9 | -172.7 | -16.6 | 0 | 0 | 0 | 110.9 | S51 Y52 I53 V65 R75 | D49-S51 PolarHBondContact O-N 3.45Å; D49-S51 PolarHBondContact OD1-N 3.08Å; D49-S51 PolarHBondContact OD1-OG 2.91Å; D49-Y52 PolarHBondContact O-N 3.15Å; D49-Y52 PolarHBondContact OD1-N 2.85Å; D49-Y52 VanDerWaalsContact OD1-N 3.1Å; D49-I53 PolarHBondContact O-N 3.23Å; D49-V65 PolarHBondContact N-O 3.29Å; D49-R75 VanDerWaalsContact CG-NH2 3.25Å; D49-R75 IonicContact OD2-CZ 3.99Å; D49-R75 IonicContact OD2-NH1 3.53Å; D49-R75 PolarHBondContact OD2-NH1 3.33Å; D49-R75 IonicContact OD2-NH2 2.91Å; D49-R75 PolarHBondContact OD2-NH2 3.31Å | ||
| 50 | K | 93.6 | Very high | 91.9 | Very high | 95 Ų | 95 | 75.7 Ų | 75.7 | 41% | 0.413 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.1 | -36.5 | 178.4 | -63.3 | -177 | -178.7 | -178.2 | 0 | 112.5 | R42 N43 N48 Y52 I53 E54 | R42-K50 WeakPolarHBondContact O-CE 3.12Å; R42-K50 PolarHBondContact O-NZ 2.85Å; N43-K50 PolarHBondContact OD1-NZ 2.99Å; N48-K50 PolarHBondContact O-N 2.72Å; K50-Y52 VanDerWaalsContact C-N 3.31Å; K50-Y52 PolarHBondContact O-N 3.44Å; K50-I53 PolarHBondContact O-N 2.85Å; K50-E54 WeakPolarHBondContact O-CG 3.43Å; K50-E54 PolarHBondContact O-N 3.38Å |
| 51 | S | 94.1 | Very high | 91.4 | Very high | 79 Ų | 79 | 81.8 Ų | 81.8 | 55% | 0.552 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.7 | -37.8 | -177.6 | 77 | 0 | 0 | 0 | 0 | 111.9 | D49 K55 | D49-S51 PolarHBondContact O-N 3.45Å; D49-S51 PolarHBondContact OD1-N 3.08Å; D49-S51 PolarHBondContact OD1-OG 2.91Å; S51-K55 WeakPolarHBondContact O-CB 3.36Å; S51-K55 PolarHBondContact O-N 2.97Å |
| 52 | Y | 94.1 | Very high | 90.9 | Very high | 42 Ų | 42 | 84.8 Ų | 84.8 | 17% | 0.165 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -68.1 | -42.6 | 176 | -165.5 | -92.2 | 0 | 0 | 0 | 111.8 | E9 D49 K50 K55 H56 Y57 V65 R75 | E9-Y52 PolarHBondContact OE1-OH 2.53Å; D49-Y52 PolarHBondContact O-N 3.15Å; D49-Y52 PolarHBondContact OD1-N 2.85Å; D49-Y52 VanDerWaalsContact OD1-N 3.1Å; K50-Y52 VanDerWaalsContact C-N 3.31Å; K50-Y52 PolarHBondContact O-N 3.44Å; Y52-K55 PolarHBondContact O-N 2.88Å; Y52-H56 AromaticContact CD2-CD2 3.82Å; Y52-H56 AromaticContact CE1-CD2 3.8Å; Y52-H56 AromaticContact CE2-CD2 3.58Å; Y52-H56 AromaticContact CE2-NE2 3.91Å; Y52-H56 AromaticContact CZ-CD2 3.57Å; Y52-H56 WeakPolarHBondContact O-CB 3.5Å; Y52-H56 PolarHBondContact O-N 2.84Å; Y52-H56 VanDerWaalsContact O-N 3.09Å; Y52-Y57 HydrophobicContact CD1-CE2 4.5Å; Y52-Y57 HydrophobicContact CE1-CD2 4.44Å; Y52-Y57 AromaticContact CE1-CE2 3.97Å; Y52-Y57 HydrophobicContact CE1-CE2 3.97Å; Y52-V65 HydrophobicContact CD1-CB 4.46Å; Y52-V65 HydrophobicContact CD1-CG1 3.81Å; Y52-V65 HydrophobicContact CD1-CG2 4.3Å; Y52-V65 HydrophobicContact CE1-CG1 4.34Å; Y52-V65 HydrophobicContact CG-CG1 4.38Å; Y52-R75 HydrophobicContact CE1-CG 4.34Å |
| 53 | I | 92.9 | Very high | 91 | Very high | 23 Ų | 23 | 81.9 Ų | 81.9 | 12% | 0.118 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.1 | -49.1 | 177.6 | -65.9 | 169.1 | 0 | 0 | 0 | 110.7 | N48 D49 K50 K55 H56 Y57 R58 V65 | N48-I53 WeakPolarHBondContact OD1-CD1 3.34Å; D49-I53 PolarHBondContact O-N 3.23Å; K50-I53 PolarHBondContact O-N 2.85Å; I53-K55 PolarHBondContact O-N 3.28Å; I53-H56 PolarHBondContact O-N 3.23Å; I53-Y57 CarbonylContact O-C 3.54Å; I53-Y57 WeakPolarHBondContact O-CA 3.39Å; I53-Y57 PolarHBondContact O-N 2.67Å; I53-R58 PolarHBondContact O-N 2.83Å; I53-R58 VanDerWaalsContact O-N 3.12Å; I53-V65 HydrophobicContact CD1-CB 4.31Å; I53-V65 HydrophobicContact CD1-CG2 3.94Å; I53-V65 HydrophobicContact CG1-CB 4.08Å; I53-V65 HydrophobicContact CG1-CG2 3.46Å; I53-V65 VanDerWaalsContact CG1-CG2 3.46Å |
| 54 | E | 92.6 | Very high | 91.2 | Very high | 136 Ų | 136 | 76.5 Ų | 76.5 | 64% | 0.636 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58.2 | -35.1 | 179.9 | -74.4 | 170.8 | -171 | 0 | 0 | 112.4 | K50 | K50-E54 WeakPolarHBondContact O-CG 3.43Å; K50-E54 PolarHBondContact O-N 3.38Å |
| 55 | K | 92.3 | Very high | 91.4 | Very high | 163 Ų | 163 | 75 Ų | 75 | 71% | 0.709 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -76.9 | -32.2 | 179.8 | -171.4 | 179.1 | 177.1 | -178 | 0 | 113.8 | S51 Y52 I53 | S51-K55 WeakPolarHBondContact O-CB 3.36Å; S51-K55 PolarHBondContact O-N 2.97Å; Y52-K55 PolarHBondContact O-N 2.88Å; I53-K55 PolarHBondContact O-N 3.28Å |
| 56 | H | 89.3 | Confident | 91.6 | Very high | 62 Ų | 62 | 67 Ų | 67 | 29% | 0.287 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -123.9 | -26.6 | -165.6 | -65.7 | -46.4 | 0 | 0 | 0 | 115.2 | K7 Y52 I53 | K7-H56 PolarHBondContact NZ-ND1 3.38Å; Y52-H56 AromaticContact CD2-CD2 3.82Å; Y52-H56 AromaticContact CE1-CD2 3.8Å; Y52-H56 AromaticContact CE2-CD2 3.58Å; Y52-H56 AromaticContact CE2-NE2 3.91Å; Y52-H56 AromaticContact CZ-CD2 3.57Å; Y52-H56 WeakPolarHBondContact O-CB 3.5Å; Y52-H56 PolarHBondContact O-N 2.84Å; Y52-H56 VanDerWaalsContact O-N 3.09Å; I53-H56 PolarHBondContact O-N 3.23Å |
| 57 | Y | 89.9 | Confident | 91.7 | Very high | 26 Ų | 26 | 66.2 Ų | 66.2 | 10% | 0.102 | 31% | 0.308 | C | S | . | . | trans | -139.6 | 33.3 | -168.8 | -60.6 | -68.3 | 0 | 0 | 0 | 112 | E9 Y52 I53 F59 E60 L63 L77 | E9-Y57 PolarHBondContact OE1-OH 2.87Å; E9-Y57 PolarHBondContact OE2-OH 3.03Å; Y52-Y57 HydrophobicContact CD1-CE2 4.5Å; Y52-Y57 HydrophobicContact CE1-CD2 4.44Å; Y52-Y57 AromaticContact CE1-CE2 3.97Å; Y52-Y57 HydrophobicContact CE1-CE2 3.97Å; I53-Y57 CarbonylContact O-C 3.54Å; I53-Y57 WeakPolarHBondContact O-CA 3.39Å; I53-Y57 PolarHBondContact O-N 2.67Å; Y57-F59 PolarHBondContact O-N 3.23Å; Y57-E60 HydrophobicContact CD1-CG 4.29Å; Y57-E60 WeakPolarHBondContact CD1-OE1 3.29Å; Y57-E60 PolarHBondContact O-N 2.82Å; Y57-L63 VanDerWaalsContact CB-CD2 3.47Å; Y57-L63 HydrophobicContact CD1-CD2 4.19Å; Y57-L63 HydrophobicContact CD2-CD2 4.01Å; Y57-L63 HydrophobicContact CG-CD2 3.61Å; Y57-L77 HydrophobicContact CD2-CD2 4.12Å; Y57-L77 HydrophobicContact CE1-CD2 4.27Å; Y57-L77 HydrophobicContact CE2-CD2 3.53Å; Y57-L77 HydrophobicContact CE2-CG 4.5Å | ||
| 58 | R | 84.5 | Confident | 91.6 | Very high | 194 Ų | 194 | 70.9 Ų | 70.9 | 73% | 0.732 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -30.6 | -172.8 | -174.8 | 176.8 | 177.6 | -177.2 | -0 | 114.5 | I53 | I53-R58 PolarHBondContact O-N 2.83Å; I53-R58 VanDerWaalsContact O-N 3.12Å |
| 59 | F | 84.6 | Confident | 91.5 | Very high | 187 Ų | 187 | 72.6 Ų | 72.6 | 82% | 0.82 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 4 | -176.1 | -53.7 | -68.1 | 0 | 0 | 0 | 113.7 | Y57 | Y57-F59 PolarHBondContact O-N 3.23Š|
| 60 | E | 83.6 | Confident | 91.2 | Very high | 72 Ų | 72 | 81.7 Ų | 81.7 | 34% | 0.336 | 38% | 0.381 | S | S | . | . | trans | -88 | 110.9 | 178.3 | -68.7 | -154.4 | -158.7 | 0 | 0 | 111.9 | Y57 L63 R79 | Y57-E60 HydrophobicContact CD1-CG 4.29Å; Y57-E60 WeakPolarHBondContact CD1-OE1 3.29Å; Y57-E60 PolarHBondContact O-N 2.82Å; E60-L63 HydrophobicContact CB-CB 4Å; E60-L63 HydrophobicContact CB-CD2 3.97Å; E60-R79 IonicContact OE2-NH2 3.35Å | ||
| 61 | E | 82.7 | Confident | 90.9 | Very high | 155 Ų | 155 | 80.3 Ų | 80.3 | 72% | 0.724 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 147.9 | 174.4 | -63.3 | -175 | 176.3 | 0 | 0 | 112 | L63 | E61-L63 PolarHBondContact O-N 3.47Š|
| 62 | N | 84.7 | Confident | 90.8 | Very high | 63 Ų | 63 | 77.9 Ų | 77.9 | 34% | 0.337 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 14.6 | 176.6 | -58.1 | -25.6 | 0 | 0 | 0 | 115.5 | R42 R79 | R42-N62 VanDerWaalsContact NH2-CA 3.25Å; R42-N62 VanDerWaalsContact NH2-N 3.18Å; R42-N62 PolarHBondContact NH2-OD1 2.59Å; N62-R79 HydrophobicContact CB-CG 4.41Å; N62-R79 WeakPolarHBondContact O-CA 3.43Å |
| 63 | L | 93.9 | Very high | 90.3 | Very high | 14 Ų | 14 | 79.5 Ų | 79.5 | 7% | 0.073 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 132.9 | 169.9 | -171.8 | 71.3 | 0 | 0 | 0 | 110 | Y57 E60 E61 V65 L77 | Y57-L63 VanDerWaalsContact CB-CD2 3.47Å; Y57-L63 HydrophobicContact CD1-CD2 4.19Å; Y57-L63 HydrophobicContact CD2-CD2 4.01Å; Y57-L63 HydrophobicContact CG-CD2 3.61Å; E60-L63 HydrophobicContact CB-CB 4Å; E60-L63 HydrophobicContact CB-CD2 3.97Å; E61-L63 PolarHBondContact O-N 3.47Å; L63-V65 HydrophobicContact CD2-CG2 4.45Å; L63-V65 HydrophobicContact CG-CG2 4.45Å; L63-L77 HydrophobicContact CD1-CB 4.17Å; L63-L77 HydrophobicContact CD2-CD2 4.49Å |
| 64 | C | 96.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 154.9 | 166.1 | -65.5 | 0 | 0 | 0 | 0 | 108.8 | N48 Y78 | N48-C64 WeakPolarHBondContact OD1-CA 3.28Å; C64-Y78 HydrophobicContact CB-CD1 4.16Å; C64-Y78 HydrophobicContact CB-CD2 4.05Å; C64-Y78 HydrophobicContact CB-CE1 3.58Å; C64-Y78 HydrophobicContact CB-CE2 3.48Å; C64-Y78 VanDerWaalsContact CB-CE2 3.48Å; C64-Y78 HydrophobicContact CB-CG 4.37Å; C64-Y78 WeakPolarHBondContact CB-OH 3.37Å; C64-Y78 PolarHBondContact N-O 3.08Å; C64-Y78 WeakPolarHBondContact O-CD1 3.48Å; C64-Y78 PolarHBondContact O-N 3.06Å |
| 65 | V | 96.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 115.1 | -178.9 | -178.3 | 0 | 0 | 0 | 0 | 109 | N48 D49 Y52 I53 L63 R75 L77 | N48-V65 CarbonylContact C-O 3.49Å; N48-V65 WeakPolarHBondContact CA-O 3.47Å; N48-V65 PolarHBondContact OD1-N 2.69Å; D49-V65 PolarHBondContact N-O 3.29Å; Y52-V65 HydrophobicContact CD1-CB 4.46Å; Y52-V65 HydrophobicContact CD1-CG1 3.81Å; Y52-V65 HydrophobicContact CD1-CG2 4.3Å; Y52-V65 HydrophobicContact CE1-CG1 4.34Å; Y52-V65 HydrophobicContact CG-CG1 4.38Å; I53-V65 HydrophobicContact CD1-CB 4.31Å; I53-V65 HydrophobicContact CD1-CG2 3.94Å; I53-V65 HydrophobicContact CG1-CB 4.08Å; I53-V65 HydrophobicContact CG1-CG2 3.46Å; I53-V65 VanDerWaalsContact CG1-CG2 3.46Å; L63-V65 HydrophobicContact CD2-CG2 4.45Å; L63-V65 HydrophobicContact CG-CG2 4.45Å; V65-R75 HydrophobicContact CG1-CG 3.76Å; V65-L77 HydrophobicContact CG2-CG 4.06Å |
| 66 | L | 96.9 | Very high | 90.6 | Very high | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | trans | -61.5 | 135.6 | 175.6 | -173.6 | 70 | 0 | 0 | 0 | 109 | S46 V69 R75 V76 Y78 V162 L165 I166 | S46-L66 WeakPolarHBondContact O-CD1 3.35Å; L66-V69 HydrophobicContact CD2-CG2 3.46Å; L66-V69 VanDerWaalsContact CD2-CG2 3.46Å; L66-V69 HydrophobicContact CG-CG2 4.11Å; L66-R75 PolarHBondContact O-NE 2.96Å; L66-R75 PolarHBondContact O-NH2 2.93Å; L66-V76 HydrophobicContact CB-CB 4.22Å; L66-V76 HydrophobicContact CD2-CB 4.49Å; L66-V76 PolarHBondContact N-O 3.42Å; L66-Y78 HydrophobicContact CB-CE1 4.44Å; L66-V162 HydrophobicContact CD1-CG1 4.37Å; L66-V162 HydrophobicContact CD1-CG2 4.01Å; L66-V162 HydrophobicContact CD2-CG1 4.43Å; L66-L165 HydrophobicContact CD2-CB 4.49Å; L66-I166 HydrophobicContact CD2-CG1 4.22Å | ||
| 67 | P | 95.3 | Very high | 91 | Very high | 33 Ų | 33 | 63.9 Ų | 63.9 | 21% | 0.214 | 31% | 0.312 | C | S | . | . | trans | -45.9 | 160.8 | 169.2 | -30.9 | 38.4 | 0 | 0 | 0 | 114 | Q45 S46 V69 R75 | Q45-P67 WeakPolarHBondContact O-CG 3.39Å; S46-P67 VanDerWaalsContact O-CD 3.28Å; S46-P67 WeakPolarHBondContact O-CD 3.44Å; P67-V69 PolarHBondContact O-N 3.2Å; P67-V69 VanDerWaalsContact O-N 3.16Å; P67-R75 VanDerWaalsContact C-CZ 3.47Å | ||
| 68 | P | 94.2 | Very high | 91.3 | Very high | 99 Ų | 99 | 62.7 Ų | 62.7 | 64% | 0.643 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 124.6 | 177.9 | 2.5 | 10 | 0 | 0 | 0 | 109.1 | R75 | P68-R75 VanDerWaalsContact N-NH1 3.14Š|
| 69 | V | 92.4 | Very high | 91.9 | Very high | 44 Ų | 44 | 57.8 Ų | 57.8 | 27% | 0.267 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -94.3 | 125.2 | 179.8 | -177 | 0 | 0 | 0 | 0 | 108.9 | L66 P67 G71 E72 I166 | L66-V69 HydrophobicContact CD2-CG2 3.46Å; L66-V69 VanDerWaalsContact CD2-CG2 3.46Å; L66-V69 HydrophobicContact CG-CG2 4.11Å; P67-V69 PolarHBondContact O-N 3.2Å; P67-V69 VanDerWaalsContact O-N 3.16Å; V69-G71 PolarHBondContact O-N 2.91Å; V69-E72 HydrophobicContact CB-CB 4.11Å; V69-E72 HydrophobicContact CB-CG 3.87Å; V69-E72 HydrophobicContact CG1-CB 4.46Å; V69-E72 HydrophobicContact CG1-CG 3.72Å; V69-E72 PolarHBondContact O-N 3.21Å; V69-E72 VanDerWaalsContact O-N 3.12Å; V69-I166 HydrophobicContact CG1-CD1 3.74Å; V69-I166 HydrophobicContact CG1-CG1 4.23Å; V69-I166 HydrophobicContact CG2-CD1 4.22Å; V69-I166 HydrophobicContact CG2-CG1 4.15Å |
| 70 | R | 90.4 | Very high | 92.4 | Very high | 226 Ų | 226 | 49.1 Ų | 49.1 | 85% | 0.853 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 127.1 | 178.3 | -177.4 | -178.1 | 179.8 | -175.3 | 0.2 | 110.1 | E72 | R70-E72 VanDerWaalsContact C-N 3.34Š|
| 71 | G | 87.1 | Confident | 93 | Very high | 65 Ų | 65 | 48.7 Ų | 48.7 | 67% | 0.67 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.8 | -9.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V69 | V69-G71 PolarHBondContact O-N 2.91Š|
| 72 | E | 91.6 | Very high | 93.7 | Very high | 28 Ų | 28 | 43.4 Ų | 43.4 | 13% | 0.131 | 23% | 0.226 | C | C | . | . | trans | -101.9 | 134.2 | 176.4 | -55.7 | -53.2 | 150.4 | 0 | 0 | 111 | V69 R70 I166 N170 Y171 | V69-E72 HydrophobicContact CB-CB 4.11Å; V69-E72 HydrophobicContact CB-CG 3.87Å; V69-E72 HydrophobicContact CG1-CB 4.46Å; V69-E72 HydrophobicContact CG1-CG 3.72Å; V69-E72 PolarHBondContact O-N 3.21Å; V69-E72 VanDerWaalsContact O-N 3.12Å; R70-E72 VanDerWaalsContact C-N 3.34Å; E72-I166 HydrophobicContact CG-CG2 4.04Å; E72-N170 VanDerWaalsContact OE2-CB 3.3Å; E72-N170 WeakPolarHBondContact OE2-CB 3.5Å; E72-Y171 PolarHBondContact OE1-OH 3.26Å; E72-Y171 VanDerWaalsContact OE1-OH 3.04Å; E72-Y171 PolarHBondContact OE2-OH 3.03Å | ||
| 73 | N | 84.7 | Confident | 94.2 | Very high | 77 Ų | 77 | 40.8 Ų | 40.8 | 41% | 0.412 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -83.6 | -23.3 | -175.8 | -66.8 | -8.5 | 0 | 0 | 0 | 112.6 | L8 R454 N485 | L8-N73 WeakPolarHBondContact CB-O 3.34Å; N73-R454 WeakPolarHBondContact ND2-CD 3.25Å; N73-N485 PolarHBondContact ND2-OD1 2.97Å |
| 74 | R | 92.3 | Very high | 94.3 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -110.7 | 136.7 | -174.7 | -59.5 | 168.2 | 171.3 | -71.9 | -21.7 | 111.5 | L8 E9 N170 D484 N487 | L8-R74 HydrophobicContact CB-CG 4.36Å; L8-R74 CarbonylContact O-C 3.58Å; L8-R74 VanDerWaalsContact O-CA 3.27Å; L8-R74 WeakPolarHBondContact O-CA 3.38Å; E9-R74 PolarHBondContact O-NH1 3.18Å; R74-N170 VanDerWaalsContact CB-OD1 3.31Å; R74-N170 WeakPolarHBondContact CB-OD1 3.48Å; R74-N170 PolarHBondContact N-OD1 2.93Å; R74-D484 PolarHBondContact NH2-O 2.95Å; R74-N487 PolarHBondContact NH1-OD1 3.13Å; R74-N487 PolarHBondContact NH2-OD1 2.87Å |
| 75 | R | 94.5 | Very high | 94.2 | Very high | 28 Ų | 28 | 49.9 Ų | 49.9 | 11% | 0.106 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 125.9 | 167.6 | -165.2 | 71.2 | -174.2 | -135.6 | -1.8 | 109.7 | L8 E9 S10 D49 Y52 V65 L66 P67 P68 L77 | L8-R75 PolarHBondContact O-N 3.13Å; E9-R75 CarbonylContact C-O 3.5Å; E9-R75 WeakPolarHBondContact CA-O 3.39Å; E9-R75 HydrophobicContact CG-CB 4.29Å; S10-R75 PolarHBondContact N-O 3.45Å; D49-R75 VanDerWaalsContact CG-NH2 3.25Å; D49-R75 IonicContact OD2-CZ 3.99Å; D49-R75 IonicContact OD2-NH1 3.53Å; D49-R75 PolarHBondContact OD2-NH1 3.33Å; D49-R75 IonicContact OD2-NH2 2.91Å; D49-R75 PolarHBondContact OD2-NH2 3.31Å; Y52-R75 HydrophobicContact CE1-CG 4.34Å; V65-R75 HydrophobicContact CG1-CG 3.76Å; L66-R75 PolarHBondContact O-NE 2.96Å; L66-R75 PolarHBondContact O-NH2 2.93Å; P67-R75 VanDerWaalsContact C-CZ 3.47Å; P68-R75 VanDerWaalsContact N-NH1 3.14Å; R75-L77 HydrophobicContact CB-CD1 4.31Å; R75-L77 HydrophobicContact CG-CD1 4.25Å; R75-L77 WeakPolarHBondContact O-CD1 3.43Å; R75-L77 PolarHBondContact O-N 2.95Å |
| 76 | V | 97.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 109.3 | 179.3 | -175 | 0 | 0 | 0 | 0 | 109.7 | V12 L66 L165 N170 | V12-V76 HydrophobicContact CB-CG1 4.22Å; V12-V76 HydrophobicContact CG2-CG1 3.76Å; L66-V76 HydrophobicContact CB-CB 4.22Å; L66-V76 HydrophobicContact CD2-CB 4.49Å; L66-V76 PolarHBondContact N-O 3.42Å; V76-L165 HydrophobicContact CG1-CB 4.22Å; V76-L165 HydrophobicContact CG1-CD2 4.37Å; V76-N170 WeakPolarHBondContact CG2-ND2 3.08Å |
| 77 | L | 96.8 | Very high | 94 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 132.4 | 168.2 | -73.1 | 71.2 | 0 | 0 | 0 | 107 | E9 S10 K11 V12 Y57 L63 V65 R75 | E9-L77 HydrophobicContact CB-CD1 3.75Å; E9-L77 HydrophobicContact CG-CD1 3.64Å; E9-L77 WeakPolarHBondContact OE2-CD2 3.44Å; S10-L77 PolarHBondContact O-N 3.43Å; K11-L77 CarbonylContact C-O 3.57Å; K11-L77 WeakPolarHBondContact CA-O 3.41Å; V12-L77 PolarHBondContact N-O 2.59Å; Y57-L77 HydrophobicContact CD2-CD2 4.12Å; Y57-L77 HydrophobicContact CE1-CD2 4.27Å; Y57-L77 HydrophobicContact CE2-CD2 3.53Å; Y57-L77 HydrophobicContact CE2-CG 4.5Å; L63-L77 HydrophobicContact CD1-CB 4.17Å; L63-L77 HydrophobicContact CD2-CD2 4.49Å; V65-L77 HydrophobicContact CG2-CG 4.06Å; R75-L77 HydrophobicContact CB-CD1 4.31Å; R75-L77 HydrophobicContact CG-CD1 4.25Å; R75-L77 WeakPolarHBondContact O-CD1 3.43Å; R75-L77 PolarHBondContact O-N 2.95Å |
| 78 | Y | 97.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 140.4 | 179.8 | 67.2 | -83 | 0 | 0 | 0 | 113.1 | V12 V14 I41 L47 C64 L66 L165 | V12-Y78 WeakPolarHBondContact O-CA 3.48Å; V12-Y78 WeakPolarHBondContact O-CB 3.32Å; V14-Y78 HydrophobicContact CG2-CD2 3.64Å; V14-Y78 HydrophobicContact CG2-CG 4.19Å; I41-Y78 HydrophobicContact CG2-CE2 4.23Å; I41-Y78 WeakPolarHBondContact CG2-OH 3.27Å; L47-Y78 WeakPolarHBondContact O-CE1 3.42Å; L47-Y78 PolarHBondContact O-OH 2.79Å; C64-Y78 HydrophobicContact CB-CD1 4.16Å; C64-Y78 HydrophobicContact CB-CD2 4.05Å; C64-Y78 HydrophobicContact CB-CE1 3.58Å; C64-Y78 HydrophobicContact CB-CE2 3.48Å; C64-Y78 VanDerWaalsContact CB-CE2 3.48Å; C64-Y78 HydrophobicContact CB-CG 4.37Å; C64-Y78 WeakPolarHBondContact CB-OH 3.37Å; C64-Y78 PolarHBondContact N-O 3.08Å; C64-Y78 WeakPolarHBondContact O-CD1 3.48Å; C64-Y78 PolarHBondContact O-N 3.06Å; L66-Y78 HydrophobicContact CB-CE1 4.44Å; Y78-L165 HydrophobicContact CD1-CD1 3.94Å; Y78-L165 HydrophobicContact CD1-CD2 4.03Å; Y78-L165 HydrophobicContact CD2-CD1 4.48Å; Y78-L165 HydrophobicContact CD2-CD2 4.14Å; Y78-L165 HydrophobicContact CE1-CD1 3.78Å; Y78-L165 HydrophobicContact CE2-CD1 4.33Å; Y78-L165 HydrophobicContact CG-CD1 4.28Å; Y78-L165 HydrophobicContact CG-CD2 3.73Å |
| 79 | R | 96.7 | Very high | 93.9 | Very high | 91 Ų | 91 | 48.9 Ų | 48.9 | 34% | 0.343 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 129.2 | 174.7 | -176.5 | 173.5 | -68.3 | 175.5 | 2.7 | 108.8 | V12 V14 E60 N62 Y111 | V12-R79 PolarHBondContact O-N 3.14Å; V12-R79 VanDerWaalsContact O-N 3.1Å; V14-R79 PolarHBondContact N-O 3.32Å; E60-R79 IonicContact OE2-NH2 3.35Å; N62-R79 HydrophobicContact CB-CG 4.41Å; N62-R79 WeakPolarHBondContact O-CA 3.43Å; R79-Y111 HydrophobicContact CB-CE1 4.42Å |
| 80 | L | 95.6 | Very high | 94 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 122.6 | 176.8 | -170.6 | 153.1 | 0 | 0 | 0 | 110 | V14 L38 I41 E82 L117 | V14-L80 HydrophobicContact CB-CB 4.35Å; V14-L80 HydrophobicContact CB-CG 4.39Å; V14-L80 HydrophobicContact CG1-CD1 4.28Å; V14-L80 HydrophobicContact CG1-CG 4.27Å; V14-L80 CarbonylContact O-C 3.51Å; V14-L80 WeakPolarHBondContact O-CA 3.31Å; L38-L80 HydrophobicContact CB-CD2 4.46Å; L38-L80 HydrophobicContact CD1-CB 4.2Å; L38-L80 HydrophobicContact CD1-CD2 4.44Å; I41-L80 HydrophobicContact CD1-CD1 3.65Å; L80-E82 HydrophobicContact CD2-CB 4.24Å; L80-L117 HydrophobicContact CD1-CD1 4.4Å |
| 81 | I | 95.7 | Very high | 94.2 | Very high | 63 Ų | 63 | 45.2 Ų | 45.2 | 32% | 0.323 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 115.5 | 171 | -61 | -176.4 | 0 | 0 | 0 | 107.9 | L13 V14 L15 Y16 | L13-I81 HydrophobicContact CD1-CD1 3.68Å; L13-I81 HydrophobicContact CD1-CG1 3.89Å; V14-I81 PolarHBondContact O-N 3.34Å; L15-I81 HydrophobicContact CD2-CB 4.06Å; L15-I81 HydrophobicContact CD2-CD1 4.38Å; Y16-I81 PolarHBondContact N-O 3.38Å |
| 82 | E | 96.4 | Very high | 94.6 | Very high | 43 Ų | 43 | 43.3 Ų | 43.3 | 20% | 0.201 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 132.6 | 176.3 | -170.9 | 169.9 | 114 | 0 | 0 | 110.8 | Y16 A34 N35 L80 L86 | Y16-E82 HydrophobicContact CD1-CB 4.38Å; Y16-E82 HydrophobicContact CD1-CG 3.72Å; Y16-E82 HydrophobicContact CE1-CG 4.25Å; A34-E82 WeakPolarHBondContact CA-OE1 3.41Å; N35-E82 VanDerWaalsContact N-CD 3.34Å; N35-E82 PolarHBondContact N-OE1 3.44Å; N35-E82 PolarHBondContact N-OE2 3.1Å; L80-E82 HydrophobicContact CD2-CB 4.24Å; E82-L86 HydrophobicContact CG-CD1 4.33Å; E82-L86 HydrophobicContact CG-CD2 3.83Å; E82-L86 HydrophobicContact CG-CG 4.21Å |
| 83 | Y | 96.6 | Very high | 94.7 | Very high | 9 Ų | 9 | 44.2 Ų | 44.2 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 139.3 | 177.3 | -80.8 | 27.9 | 0 | 0 | 0 | 110.5 | L15 Y16 T17 P85 L86 R99 I100 N103 | L15-Y83 HydrophobicContact CB-CE1 4.23Å; L15-Y83 HydrophobicContact CD2-CE1 4.29Å; Y16-Y83 WeakPolarHBondContact O-CB 3.43Å; Y16-Y83 PolarHBondContact O-N 3.21Å; T17-Y83 HydrophobicContact CG2-CD2 4.08Å; T17-Y83 HydrophobicContact CG2-CE2 4.02Å; T17-Y83 HydrophobicContact CG2-CG 4.49Å; Y83-P85 CarbonylContact O-C 3.6Å; Y83-P85 VanDerWaalsContact O-C 3.28Å; Y83-L86 WeakPolarHBondContact O-CD2 3.1Å; Y83-L86 WeakPolarHBondContact O-CG 3.45Å; Y83-L86 PolarHBondContact O-N 2.91Å; Y83-R99 HydrophobicContact CE2-CG 3.9Å; Y83-I100 HydrophobicContact CE2-CG1 3.89Å; Y83-I100 VanDerWaalsContact OH-CA 3.31Å; Y83-I100 WeakPolarHBondContact OH-CA 3.34Å; Y83-N103 PolarHBondContact OH-OD1 3.07Å; Y83-N103 VanDerWaalsContact OH-OD1 3.05Å |
| 84 | E | 94.6 | Very high | 95.3 | Very high | 130 Ų | 130 | 42.4 Ų | 42.4 | 61% | 0.607 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126.4 | 168.3 | -175.8 | 58.3 | -138.1 | 0 | 0 | 109.2 | R99 | E84-R99 PolarHBondContact O-NH1 2.99Å; E84-R99 PolarHBondContact O-NH2 2.8Å |
| 85 | P | 94.7 | Very high | 95.5 | Very high | 75 Ų | 75 | 46.1 Ų | 46.1 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | cis | -70.2 | 157 | -15.2 | 33 | -35.6 | 0 | 0 | 0 | 111.8 | Y83 L87 | Y83-P85 CarbonylContact O-C 3.6Å; Y83-P85 VanDerWaalsContact O-C 3.28Å; P85-L87 HydrophobicContact CG-CD2 4.11Å |
| 86 | L | 95.6 | Very high | 95.6 | Very high | 21 Ų | 21 | 47 Ų | 47 | 11% | 0.11 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 139.3 | 164.1 | -70.7 | 172.3 | 0 | 0 | 0 | 109.9 | Y16 P32 E82 Y83 | Y16-L86 HydrophobicContact CD1-CD1 4.44Å; Y16-L86 HydrophobicContact CD1-CD2 3.69Å; Y16-L86 HydrophobicContact CD2-CD2 4.34Å; Y16-L86 HydrophobicContact CE1-CD1 3.56Å; Y16-L86 HydrophobicContact CE1-CD2 3.49Å; Y16-L86 VanDerWaalsContact CE1-CD2 3.49Å; Y16-L86 HydrophobicContact CE1-CG 4.19Å; Y16-L86 HydrophobicContact CE2-CD2 4.2Å; Y16-L86 HydrophobicContact CG-CD2 4.09Å; P32-L86 HydrophobicContact CB-CB 3.58Å; P32-L86 HydrophobicContact CB-CD1 4.25Å; E82-L86 HydrophobicContact CG-CD1 4.33Å; E82-L86 HydrophobicContact CG-CD2 3.83Å; E82-L86 HydrophobicContact CG-CG 4.21Å; Y83-L86 WeakPolarHBondContact O-CD2 3.1Å; Y83-L86 WeakPolarHBondContact O-CG 3.45Å; Y83-L86 PolarHBondContact O-N 2.91Å |
| 87 | L | 93.6 | Very high | 95.6 | Very high | 36 Ų | 36 | 47.9 Ų | 47.9 | 19% | 0.188 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 141.3 | -174.3 | -61.8 | 176.9 | 0 | 0 | 0 | 112.2 | T17 G18 G19 P85 M92 E96 | T17-L87 PolarHBondContact O-N 3.47Å; G18-L87 CarbonylContact C-O 3.51Å; G18-L87 VanDerWaalsContact CA-O 3.31Å; G18-L87 WeakPolarHBondContact CA-O 2.97Å; G19-L87 PolarHBondContact N-O 3.05Å; P85-L87 HydrophobicContact CG-CD2 4.11Å; L87-M92 HydrophobicContact CD1-CG 4.41Å; L87-E96 HydrophobicContact CD1-CG 3.38Å |
| 88 | D | 92.8 | Very high | 95.7 | Very high | 55 Ų | 55 | 49.4 Ų | 49.4 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | trans | -64.1 | 135.6 | 149.2 | -169.5 | -49.4 | 0 | 0 | 0 | 108.1 | C90 N91 | D88-C90 PolarHBondContact O-N 2.97Å; D88-C90 VanDerWaalsContact O-N 3.1Å; D88-C90 WeakPolarHBondContact OD1-CB 3.48Å; D88-C90 PolarHBondContact OD1-N 3.47Å; D88-N91 WeakPolarHBondContact O-CB 2.88Å; D88-N91 PolarHBondContact O-N 2.95Å | ||
| 89 | S | 95.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -59.6 | -23.4 | -178.4 | 61.5 | 0 | 0 | 0 | 0 | 113.8 | N91 M92 G119 D121 T122 | S89-N91 PolarHBondContact O-N 3.15Å; S89-M92 WeakPolarHBondContact O-CB 3.41Å; S89-M92 PolarHBondContact O-N 3.24Å; S89-M92 VanDerWaalsContact O-N 3.15Å; S89-G119 WeakPolarHBondContact CB-O 3.37Å; S89-G119 VanDerWaalsContact OG-C 3.24Å; S89-G119 WeakPolarHBondContact OG-CA 3.29Å; S89-G119 PolarHBondContact OG-O 3.1Å; S89-D121 WeakPolarHBondContact OG-CB 3.45Å; S89-D121 PolarHBondContact OG-N 2.91Å; S89-T122 VanDerWaalsContact CB-OG1 3.29Å; S89-T122 WeakPolarHBondContact CB-OG1 3.41Å; S89-T122 VanDerWaalsContact O-CG2 3.28Å; S89-T122 WeakPolarHBondContact O-CG2 3.37Å; S89-T122 PolarHBondContact O-OG1 2.92Å; S89-T122 PolarHBondContact OG-N 3.5Å |
| 90 | C | 93.6 | Very high | 95.8 | Very high | 79 Ų | 79 | 49.9 Ų | 49.9 | 53% | 0.534 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -62 | -22.4 | 172.3 | -67.1 | 0 | 0 | 0 | 0 | 113.6 | D88 | D88-C90 PolarHBondContact O-N 2.97Å; D88-C90 VanDerWaalsContact O-N 3.1Å; D88-C90 WeakPolarHBondContact OD1-CB 3.48Å; D88-C90 PolarHBondContact OD1-N 3.47Å |
| 91 | N | 94.7 | Very high | 95.9 | Very high | 115 Ų | 115 | 49.6 Ų | 49.6 | 62% | 0.615 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -96.2 | 4.8 | 178.6 | -65 | -48.1 | 0 | 0 | 0 | 113.3 | D88 S89 | D88-N91 WeakPolarHBondContact O-CB 2.88Å; D88-N91 PolarHBondContact O-N 2.95Å; S89-N91 PolarHBondContact O-N 3.15Å |
| 92 | M | 95 | Very high | 96 | Very high | 24 Ų | 24 | 51.5 Ų | 51.5 | 12% | 0.118 | 26% | 0.264 | C | S | . | . | trans | -74.7 | 141.7 | 176.4 | -69.9 | -143.3 | -167.6 | 0 | 0 | 112.3 | T17 L87 S89 E96 H118 | T17-M92 HydrophobicContact CG2-CE 4.41Å; T17-M92 VanDerWaalsContact OG1-CE 3.22Å; T17-M92 WeakPolarHBondContact OG1-CE 3.1Å; L87-M92 HydrophobicContact CD1-CG 4.41Å; S89-M92 WeakPolarHBondContact O-CB 3.41Å; S89-M92 PolarHBondContact O-N 3.24Å; S89-M92 VanDerWaalsContact O-N 3.15Å; M92-E96 HydrophobicContact CG-CB 4.47Å; M92-E96 HydrophobicContact SD-CB 4.2Å; M92-H118 WeakPolarHBondContact CE-CD2 3.41Å; M92-H118 WeakPolarHBondContact CE-NE2 2.9Å; M92-H118 PolarHBondContact SD-NE2 3.3Å | ||
| 93 | S | 94.5 | Very high | 96.1 | Very high | 47 Ų | 47 | 51.7 Ų | 51.7 | 33% | 0.329 | 27% | 0.266 | S | S | . | . | trans | -132.3 | -177.1 | 177.2 | 81.6 | 0 | 0 | 0 | 0 | 111.6 | M95 E96 W97 | S93-M95 PolarHBondContact O-N 3.03Å; S93-M95 VanDerWaalsContact O-N 3.14Å; S93-M95 PolarHBondContact OG-N 2.89Å; S93-M95 VanDerWaalsContact OG-N 3.15Å; S93-E96 WeakPolarHBondContact CA-OE2 3.33Å; S93-E96 VanDerWaalsContact CB-OE2 3.32Å; S93-E96 WeakPolarHBondContact CB-OE2 3.3Å; S93-E96 PolarHBondContact N-OE2 3.39Å; S93-E96 PolarHBondContact O-N 3.04Å; S93-E96 PolarHBondContact OG-OE2 3.27Å; S93-W97 PolarHBondContact O-N 2.87Å | ||
| 94 | F | 96.1 | Very high | 96.2 | Very high | 40 Ų | 40 | 51.3 Ų | 51.3 | 18% | 0.175 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -52.7 | -31.2 | 171 | -64.7 | -87.1 | 0 | 0 | 0 | 113.1 | W97 T98 L238 R240 I242 A358 | F94-W97 AromaticContact CD1-CE3 3.87Å; F94-W97 HydrophobicContact CD1-CE3 3.87Å; F94-W97 AromaticContact CD1-CZ3 3.76Å; F94-W97 HydrophobicContact CD1-CZ3 3.76Å; F94-W97 HydrophobicContact CE1-CE3 4.36Å; F94-W97 AromaticContact CE1-CZ3 3.81Å; F94-W97 HydrophobicContact CE1-CZ3 3.81Å; F94-W97 HydrophobicContact CG-CE3 4.33Å; F94-W97 HydrophobicContact CG-CZ3 4.3Å; F94-W97 HydrophobicContact CZ-CZ3 4.37Å; F94-T98 PolarHBondContact O-N 2.94Å; F94-T98 PolarHBondContact O-OG1 2.82Å; F94-T98 VanDerWaalsContact O-OG1 3.06Å; F94-L238 HydrophobicContact CD1-CB 3.66Å; F94-L238 HydrophobicContact CD1-CD1 3.95Å; F94-L238 HydrophobicContact CD1-CG 4.47Å; F94-L238 HydrophobicContact CE1-CB 3.95Å; F94-L238 HydrophobicContact CE1-CD1 4.34Å; F94-R240 HydrophobicContact CB-CG 4.43Å; F94-R240 HydrophobicContact CD1-CG 4.41Å; F94-R240 HydrophobicContact CD2-CB 4.22Å; F94-R240 HydrophobicContact CD2-CG 3.72Å; F94-R240 HydrophobicContact CE2-CB 4.03Å; F94-R240 HydrophobicContact CE2-CG 4.01Å; F94-R240 HydrophobicContact CG-CG 3.94Å; F94-R240 HydrophobicContact CZ-CB 4.46Å; F94-R240 HydrophobicContact CZ-CG 4.46Å; F94-I242 HydrophobicContact CZ-CD1 4.33Å; F94-I242 HydrophobicContact CZ-CG1 4.44Å; F94-A358 HydrophobicContact CE1-CB 3.88Å; F94-A358 HydrophobicContact CZ-CB 4.47Å |
| 95 | M | 96.4 | Very high | 96.3 | Very high | 98 Ų | 98 | 48.5 Ų | 48.5 | 48% | 0.483 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.1 | -44.3 | 179.8 | -67.5 | -56.8 | -56.1 | 0 | 0 | 112 | S93 T98 R99 R240 | S93-M95 PolarHBondContact O-N 3.03Å; S93-M95 VanDerWaalsContact O-N 3.14Å; S93-M95 PolarHBondContact OG-N 2.89Å; S93-M95 VanDerWaalsContact OG-N 3.15Å; M95-T98 WeakPolarHBondContact O-CB 3.46Å; M95-T98 PolarHBondContact O-N 3.34Å; M95-R99 PolarHBondContact O-N 3.37Å; M95-R240 PolarHBondContact SD-NH2 2.63Å |
| 96 | E | 97.1 | Very high | 96.4 | Very high | 46 Ų | 46 | 49.4 Ų | 49.4 | 22% | 0.215 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 179.3 | -71.7 | 58.3 | -120.5 | 0 | 0 | 110.6 | L87 M92 S93 T98 R99 I100 | L87-E96 HydrophobicContact CD1-CG 3.38Å; M92-E96 HydrophobicContact CG-CB 4.47Å; M92-E96 HydrophobicContact SD-CB 4.2Å; S93-E96 WeakPolarHBondContact CA-OE2 3.33Å; S93-E96 VanDerWaalsContact CB-OE2 3.32Å; S93-E96 WeakPolarHBondContact CB-OE2 3.3Å; S93-E96 PolarHBondContact N-OE2 3.39Å; S93-E96 PolarHBondContact O-N 3.04Å; S93-E96 PolarHBondContact OG-OE2 3.27Å; E96-T98 PolarHBondContact O-N 3.05Å; E96-R99 WeakPolarHBondContact O-CB 3.41Å; E96-R99 PolarHBondContact O-N 2.69Å; E96-I100 VanDerWaalsContact O-CG1 3.27Å; E96-I100 WeakPolarHBondContact O-CG1 3.38Å; E96-I100 PolarHBondContact O-N 3.43Å |
| 97 | W | 97.9 | Very high | 96.4 | Very high | 22 Ų | 22 | 50.2 Ų | 50.2 | 8% | 0.083 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 173.2 | -60.4 | -19.5 | 0 | 0 | 0 | 111.9 | S93 F94 R99 I100 A101 T126 A129 M133 L238 T355 | S93-W97 PolarHBondContact O-N 2.87Å; F94-W97 AromaticContact CD1-CE3 3.87Å; F94-W97 HydrophobicContact CD1-CE3 3.87Å; F94-W97 AromaticContact CD1-CZ3 3.76Å; F94-W97 HydrophobicContact CD1-CZ3 3.76Å; F94-W97 HydrophobicContact CE1-CE3 4.36Å; F94-W97 AromaticContact CE1-CZ3 3.81Å; F94-W97 HydrophobicContact CE1-CZ3 3.81Å; F94-W97 HydrophobicContact CG-CE3 4.33Å; F94-W97 HydrophobicContact CG-CZ3 4.3Å; F94-W97 HydrophobicContact CZ-CZ3 4.37Å; W97-R99 VanDerWaalsContact C-N 3.34Å; W97-R99 PolarHBondContact O-N 2.81Å; W97-I100 PolarHBondContact O-N 3.33Å; W97-A101 WeakPolarHBondContact O-CB 3.49Å; W97-A101 PolarHBondContact O-N 3.32Å; W97-T126 PolarHBondContact NE1-OG1 3.38Å; W97-A129 HydrophobicContact CD2-CB 3.56Å; W97-A129 HydrophobicContact CE3-CB 3.45Å; W97-A129 VanDerWaalsContact CE3-CB 3.45Å; W97-A129 HydrophobicContact CG-CB 4.11Å; W97-A129 HydrophobicContact CH2-CB 4.21Å; W97-A129 HydrophobicContact CZ2-CB 4.3Å; W97-A129 HydrophobicContact CZ3-CB 3.8Å; W97-M133 HydrophobicContact CB-SD 4.01Å; W97-L238 HydrophobicContact CE3-CD1 3.96Å; W97-L238 HydrophobicContact CZ3-CD1 4.47Å; W97-T355 HydrophobicContact CH2-CG2 4.22Å; W97-T355 HydrophobicContact CZ3-CG2 4.37Å |
| 98 | T | 97.9 | Very high | 96.6 | Very high | 35 Ų | 35 | 49.1 Ų | 49.1 | 22% | 0.215 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.5 | -44 | 172.7 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | F94 M95 E96 A101 K102 Y236 | F94-T98 PolarHBondContact O-N 2.94Å; F94-T98 PolarHBondContact O-OG1 2.82Å; F94-T98 VanDerWaalsContact O-OG1 3.06Å; M95-T98 WeakPolarHBondContact O-CB 3.46Å; M95-T98 PolarHBondContact O-N 3.34Å; E96-T98 PolarHBondContact O-N 3.05Å; T98-A101 PolarHBondContact O-N 3.31Å; T98-K102 VanDerWaalsContact O-CB 3.28Å; T98-K102 WeakPolarHBondContact O-CB 3.47Å; T98-K102 PolarHBondContact O-N 3.38Å; T98-Y236 HydrophobicContact CG2-CD1 3.85Å; T98-Y236 HydrophobicContact CG2-CG 4.29Å; T98-Y236 PolarHBondContact OG1-O 2.8Å |
| 99 | R | 97.9 | Very high | 96.6 | Very high | 102 Ų | 102 | 51 Ų | 51 | 39% | 0.385 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62 | -48.5 | 177.9 | -175.5 | -179.9 | 177.8 | 176.5 | 2.5 | 111.7 | Y83 E84 M95 E96 W97 K102 N103 | Y83-R99 HydrophobicContact CE2-CG 3.9Å; E84-R99 PolarHBondContact O-NH1 2.99Å; E84-R99 PolarHBondContact O-NH2 2.8Å; M95-R99 PolarHBondContact O-N 3.37Å; E96-R99 WeakPolarHBondContact O-CB 3.41Å; E96-R99 PolarHBondContact O-N 2.69Å; W97-R99 VanDerWaalsContact C-N 3.34Å; W97-R99 PolarHBondContact O-N 2.81Å; R99-K102 PolarHBondContact O-N 3.02Å; R99-N103 PolarHBondContact O-N 2.89Å |
| 100 | I | 98.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.4 | -51.7 | 175.6 | -64.7 | 162.9 | 0 | 0 | 0 | 110.8 | L15 T17 Y83 E96 W97 K102 N103 I104 I116 T126 L130 | L15-I100 HydrophobicContact CD1-CG2 4.18Å; T17-I100 HydrophobicContact CG2-CD1 3.85Å; T17-I100 HydrophobicContact CG2-CG1 3.99Å; Y83-I100 HydrophobicContact CE2-CG1 3.89Å; Y83-I100 VanDerWaalsContact OH-CA 3.31Å; Y83-I100 WeakPolarHBondContact OH-CA 3.34Å; E96-I100 VanDerWaalsContact O-CG1 3.27Å; E96-I100 WeakPolarHBondContact O-CG1 3.38Å; E96-I100 PolarHBondContact O-N 3.43Å; W97-I100 PolarHBondContact O-N 3.33Å; I100-K102 VanDerWaalsContact C-N 3.31Å; I100-K102 PolarHBondContact O-N 2.97Å; I100-N103 PolarHBondContact O-N 2.83Å; I100-I104 HydrophobicContact CG2-CD1 4.09Å; I100-I104 PolarHBondContact O-N 3Å; I100-I104 VanDerWaalsContact O-N 3.08Å; I100-I116 HydrophobicContact CG2-CD1 3.63Å; I100-I116 HydrophobicContact CG2-CG1 4.19Å; I100-T126 HydrophobicContact CD1-CG2 4.19Å; I100-L130 HydrophobicContact CB-CD2 4.35Å; I100-L130 HydrophobicContact CG2-CD1 3.86Å; I100-L130 HydrophobicContact CG2-CD2 4.04Å |
| 101 | A | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.9 | -40.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | W97 T98 H105 L130 M133 F134 V234 Y236 | W97-A101 WeakPolarHBondContact O-CB 3.49Å; W97-A101 PolarHBondContact O-N 3.32Å; T98-A101 PolarHBondContact O-N 3.31Å; A101-H105 VanDerWaalsContact O-CB 3.29Å; A101-H105 WeakPolarHBondContact O-CB 3.33Å; A101-H105 PolarHBondContact O-N 3.04Å; A101-L130 HydrophobicContact CB-CD2 4.01Å; A101-M133 HydrophobicContact CB-CE 3.46Å; A101-M133 VanDerWaalsContact CB-CE 3.46Å; A101-M133 HydrophobicContact CB-SD 4.37Å; A101-F134 HydrophobicContact CB-CE2 3.75Å; A101-F134 HydrophobicContact CB-CZ 4.03Å; A101-F134 WeakPolarHBondContact O-CZ 3.33Å; A101-V234 HydrophobicContact CB-CG1 3.78Å; A101-Y236 HydrophobicContact CB-CD1 4.49Å; A101-Y236 HydrophobicContact CB-CE1 4.26Å |
| 102 | K | 98.3 | Very high | 96.6 | Very high | 103 Ų | 103 | 48.4 Ų | 48.4 | 45% | 0.448 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.1 | -45.7 | 177.6 | -174.5 | -179.1 | 173.5 | 66.6 | 0 | 111.7 | T98 R99 I100 I104 H105 D106 Y236 | T98-K102 VanDerWaalsContact O-CB 3.28Å; T98-K102 WeakPolarHBondContact O-CB 3.47Å; T98-K102 PolarHBondContact O-N 3.38Å; R99-K102 PolarHBondContact O-N 3.02Å; I100-K102 VanDerWaalsContact C-N 3.31Å; I100-K102 PolarHBondContact O-N 2.97Å; K102-I104 PolarHBondContact O-N 3.14Å; K102-H105 PolarHBondContact O-N 3.13Å; K102-D106 WeakPolarHBondContact CG-OD2 3.31Å; K102-D106 IonicContact NZ-OD2 3.69Å; K102-D106 WeakPolarHBondContact O-CB 3.36Å; K102-D106 PolarHBondContact O-N 3.02Å; K102-Y236 HydrophobicContact CB-CE1 3.83Å |
| 103 | N | 97.8 | Very high | 96.7 | Very high | 47 Ų | 47 | 47.2 Ų | 47.2 | 25% | 0.251 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65 | -38.4 | -179.9 | -68.9 | 162.8 | 0 | 0 | 0 | 112.7 | L15 Y83 R99 I100 C107 | L15-N103 HydrophobicContact CD1-CB 4.27Å; Y83-N103 PolarHBondContact OH-OD1 3.07Å; Y83-N103 VanDerWaalsContact OH-OD1 3.05Å; R99-N103 PolarHBondContact O-N 2.89Å; I100-N103 PolarHBondContact O-N 2.83Å; N103-C107 WeakPolarHBondContact O-CB 3.29Å; N103-C107 PolarHBondContact O-N 3.02Å |
| 104 | I | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.1 | -46.6 | 172.4 | -68.9 | 175.5 | 0 | 0 | 0 | 110.6 | L15 I100 K102 C107 Y108 F114 I116 F134 I141 | L15-I104 HydrophobicContact CD1-CD1 4.22Å; L15-I104 HydrophobicContact CD1-CG1 3.69Å; I100-I104 HydrophobicContact CG2-CD1 4.09Å; I100-I104 PolarHBondContact O-N 3Å; I100-I104 VanDerWaalsContact O-N 3.08Å; K102-I104 PolarHBondContact O-N 3.14Å; I104-C107 CarbonylContact O-C 3.58Å; I104-C107 PolarHBondContact O-N 3.28Å; I104-Y108 HydrophobicContact CG2-CD2 4.13Å; I104-Y108 WeakPolarHBondContact O-CA 3.37Å; I104-Y108 WeakPolarHBondContact O-CB 3.44Å; I104-Y108 PolarHBondContact O-N 2.92Å; I104-F114 HydrophobicContact CB-CD1 4.21Å; I104-F114 HydrophobicContact CB-CE1 4.44Å; I104-F114 HydrophobicContact CD1-CB 4.19Å; I104-F114 HydrophobicContact CD1-CG 4.35Å; I104-F114 HydrophobicContact CG1-CB 4.35Å; I104-F114 HydrophobicContact CG1-CD1 3.88Å; I104-F114 HydrophobicContact CG1-CG 4.11Å; I104-F114 HydrophobicContact CG2-CD1 3.87Å; I104-F114 HydrophobicContact CG2-CD2 3.88Å; I104-F114 HydrophobicContact CG2-CE1 3.95Å; I104-F114 HydrophobicContact CG2-CE2 3.96Å; I104-F114 HydrophobicContact CG2-CG 3.87Å; I104-F114 HydrophobicContact CG2-CZ 4.04Å; I104-I116 HydrophobicContact CD1-CD1 4Å; I104-I116 HydrophobicContact CD1-CG1 4.38Å; I104-F134 HydrophobicContact CB-CE1 4.36Å; I104-F134 HydrophobicContact CB-CZ 3.77Å; I104-F134 HydrophobicContact CD1-CZ 4.38Å; I104-F134 HydrophobicContact CG2-CE1 3.72Å; I104-F134 HydrophobicContact CG2-CZ 3.57Å; I104-I141 HydrophobicContact CD1-CD1 4.09Å; I104-I141 HydrophobicContact CD1-CG1 4.37Å; I104-I141 HydrophobicContact CD1-CG2 4.01Å; I104-I141 HydrophobicContact CG2-CD1 4.11Å |
| 105 | H | 97.6 | Very high | 97.1 | Very high | 71 Ų | 71 | 43.1 Ų | 43.1 | 33% | 0.329 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.8 | -48.3 | -179.9 | -179.5 | -108 | 0 | 0 | 0 | 112.5 | A101 K102 C107 Y108 V234 Y236 | A101-H105 VanDerWaalsContact O-CB 3.29Å; A101-H105 WeakPolarHBondContact O-CB 3.33Å; A101-H105 PolarHBondContact O-N 3.04Å; K102-H105 PolarHBondContact O-N 3.13Å; H105-C107 PolarHBondContact O-N 3.29Å; H105-Y108 VanDerWaalsContact O-CB 3.29Å; H105-Y108 WeakPolarHBondContact O-CB 3.49Å; H105-Y108 PolarHBondContact O-N 3.45Å; H105-Y108 VanDerWaalsContact O-N 3.11Å; H105-V234 HydrophobicContact CB-CG2 3.96Å; H105-Y236 PolarHBondContact ND1-OH 3.38Å |
| 106 | D | 97.1 | Very high | 97.2 | Very high | 94 Ų | 94 | 38.4 Ų | 38.4 | 50% | 0.503 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.6 | -27.3 | -177.9 | -64.9 | -13.6 | 0 | 0 | 0 | 112 | K102 | K102-D106 WeakPolarHBondContact CG-OD2 3.31Å; K102-D106 IonicContact NZ-OD2 3.69Å; K102-D106 WeakPolarHBondContact O-CB 3.36Å; K102-D106 PolarHBondContact O-N 3.02Å |
| 107 | C | 95.4 | Very high | 97.3 | Very high | 38 Ų | 38 | 36.2 Ų | 36.2 | 26% | 0.257 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 7.4 | 178 | -65.3 | 0 | 0 | 0 | 0 | 113.4 | L13 N103 I104 H105 E109 S110 Y111 | L13-C107 HydrophobicContact CD2-CB 3.9Å; N103-C107 WeakPolarHBondContact O-CB 3.29Å; N103-C107 PolarHBondContact O-N 3.02Å; I104-C107 CarbonylContact O-C 3.58Å; I104-C107 PolarHBondContact O-N 3.28Å; H105-C107 PolarHBondContact O-N 3.29Å; C107-E109 VanDerWaalsContact C-N 3.32Å; C107-E109 PolarHBondContact O-N 3.48Å; C107-S110 PolarHBondContact O-N 2.66Å; C107-Y111 HydrophobicContact CB-CD2 3.87Å; C107-Y111 HydrophobicContact CB-CE2 3.85Å; C107-Y111 WeakPolarHBondContact O-CD2 3.4Å |
| 108 | Y | 96.3 | Very high | 97.3 | Very high | 13 Ų | 13 | 35.2 Ų | 35.2 | 5% | 0.051 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -61.4 | -38.3 | -162.7 | -165.4 | -99 | 0 | 0 | 0 | 113.1 | I104 H105 S110 F114 L137 G138 K139 V232 | I104-Y108 HydrophobicContact CG2-CD2 4.13Å; I104-Y108 WeakPolarHBondContact O-CA 3.37Å; I104-Y108 WeakPolarHBondContact O-CB 3.44Å; I104-Y108 PolarHBondContact O-N 2.92Å; H105-Y108 VanDerWaalsContact O-CB 3.29Å; H105-Y108 WeakPolarHBondContact O-CB 3.49Å; H105-Y108 PolarHBondContact O-N 3.45Å; H105-Y108 VanDerWaalsContact O-N 3.11Å; Y108-S110 VanDerWaalsContact C-N 3.33Å; Y108-S110 PolarHBondContact O-N 2.94Å; Y108-F114 AromaticContact CD2-CE2 3.68Å; Y108-F114 HydrophobicContact CD2-CE2 3.68Å; Y108-F114 AromaticContact CD2-CZ 3.86Å; Y108-F114 HydrophobicContact CD2-CZ 3.86Å; Y108-F114 AromaticContact CE2-CE2 3.87Å; Y108-F114 HydrophobicContact CE2-CE2 3.87Å; Y108-F114 HydrophobicContact CE2-CZ 4.49Å; Y108-F114 HydrophobicContact CG-CZ 4.46Å; Y108-L137 HydrophobicContact CE2-CD1 3.91Å; Y108-G138 WeakPolarHBondContact OH-CA 3.45Å; Y108-G138 PolarHBondContact OH-N 3.41Å; Y108-K139 HydrophobicContact CD1-CD 4.39Å; Y108-K139 HydrophobicContact CE1-CD 3.91Å; Y108-K139 HydrophobicContact CE1-CG 4.21Å; Y108-K139 HydrophobicContact CE2-CB 4.13Å; Y108-K139 HydrophobicContact CE2-CD 4.11Å; Y108-K139 HydrophobicContact CE2-CG 4.35Å; Y108-K139 PolarHBondContact O-NZ 3.42Å; Y108-K139 PolarHBondContact OH-N 2.65Å; Y108-K139 VanDerWaalsContact OH-N 3.08Å; Y108-V232 HydrophobicContact CD1-CG1 3.61Å; Y108-V232 HydrophobicContact CD2-CG1 4.27Å; Y108-V232 HydrophobicContact CE1-CB 4.09Å; Y108-V232 HydrophobicContact CE1-CG1 3.58Å; Y108-V232 HydrophobicContact CE2-CG1 4.24Å; Y108-V232 HydrophobicContact CE2-CG2 4.41Å; Y108-V232 HydrophobicContact CG-CG1 3.95Å |
| 109 | E | 93.9 | Very high | 97.2 | Very high | 96 Ų | 96 | 33.6 Ų | 33.6 | 45% | 0.449 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -75.2 | -18.1 | 179.8 | -61.3 | -162.2 | -173.3 | 0 | 0 | 113.8 | C107 R507 H512 | C107-E109 VanDerWaalsContact C-N 3.32Å; C107-E109 PolarHBondContact O-N 3.48Å; E109-R507 IonicContact OE1-NH2 3.87Å; E109-R507 PolarHBondContact OE1-NH2 3.14Å; E109-R507 IonicContact OE2-NH2 2.86Å; E109-H512 HydrophobicContact CB-CB 4.18Å; E109-H512 HydrophobicContact CG-CB 3.9Å; E109-H512 PolarHBondContact O-CD2 2.79Å |
| 110 | S | 92.4 | Very high | 97.2 | Very high | 81 Ų | 81 | 29 Ų | 29 | 57% | 0.566 | 15% | 0.151 | S | C | * | . | G | 310 helix | trans | -89.7 | -15.3 | -173.7 | -60.7 | 0 | 0 | 0 | 0 | 114.9 | C107 Y108 | C107-S110 PolarHBondContact O-N 2.66Å; Y108-S110 VanDerWaalsContact C-N 3.33Å; Y108-S110 PolarHBondContact O-N 2.94Å |
| 111 | Y | 95.5 | Very high | 97.1 | Very high | 27 Ų | 27 | 32.8 Ų | 32.8 | 11% | 0.106 | 17% | 0.172 | C | C | . | . | trans | -128.7 | 145.8 | -174.5 | -63.2 | -87.7 | 0 | 0 | 0 | 111.5 | K11 V12 L13 R79 C107 F114 K139 | K11-Y111 HydrophobicContact CB-CD1 4.01Å; K11-Y111 CarbonylContact O-C 3.28Å; K11-Y111 WeakPolarHBondContact O-CA 3.46Å; V12-Y111 VanDerWaalsContact C-CD1 3.48Å; L13-Y111 HydrophobicContact CB-CD1 3.72Å; L13-Y111 HydrophobicContact CB-CD2 3.86Å; L13-Y111 HydrophobicContact CB-CE1 3.88Å; L13-Y111 HydrophobicContact CB-CE2 4.04Å; L13-Y111 HydrophobicContact CB-CG 3.69Å; L13-Y111 HydrophobicContact CD1-CE1 4.26Å; L13-Y111 HydrophobicContact CD1-CE2 4.19Å; L13-Y111 HydrophobicContact CD2-CD2 4.27Å; L13-Y111 HydrophobicContact CD2-CE2 4.13Å; L13-Y111 HydrophobicContact CG-CE2 4.36Å; R79-Y111 HydrophobicContact CB-CE1 4.42Å; C107-Y111 HydrophobicContact CB-CD2 3.87Å; C107-Y111 HydrophobicContact CB-CE2 3.85Å; C107-Y111 WeakPolarHBondContact O-CD2 3.4Å; Y111-F114 HydrophobicContact CD2-CE1 4.44Å; Y111-K139 WeakPolarHBondContact O-CD 3.28Å; Y111-K139 PolarHBondContact O-NZ 3.17Å | ||
| 112 | D | 95.9 | Very high | 97 | Very high | 31 Ų | 31 | 34.1 Ų | 34.1 | 17% | 0.166 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -78.3 | -25.7 | 179 | -64.8 | -46.3 | 0 | 0 | 0 | 112.6 | S10 K11 K483 | S10-D112 WeakPolarHBondContact CA-OD2 2.9Å; S10-D112 WeakPolarHBondContact OG-CB 3.46Å; S10-D112 PolarHBondContact OG-OD2 3.15Å; K11-D112 PolarHBondContact N-OD2 3.11Å; K11-D112 PolarHBondContact O-N 3.05Å; D112-K483 WeakPolarHBondContact OD1-CE 3.48Å; D112-K483 IonicContact OD1-NZ 3.09Å; D112-K483 PolarHBondContact OD1-NZ 3.08Å; D112-K483 IonicContact OD2-NZ 3.94Å; D112-K483 PolarHBondContact OD2-NZ 3.25Å |
| 113 | G | 98 | Very high | 97 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 171.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V12 L13 P140 | V12-G113 WeakPolarHBondContact CA-O 3.39Å; L13-G113 PolarHBondContact N-O 3.04Å; L13-G113 VanDerWaalsContact N-O 3.09Å; G113-P140 WeakPolarHBondContact CA-O 3.37Å |
| 114 | F | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 138.6 | -175.2 | -53 | -88.1 | 0 | 0 | 0 | 110 | L13 I104 Y108 Y111 K139 P140 I141 V142 | L13-F114 HydrophobicContact CB-CD1 3.85Å; L13-F114 HydrophobicContact CB-CE1 4.16Å; L13-F114 HydrophobicContact CD2-CD1 4.11Å; L13-F114 HydrophobicContact CD2-CE1 4.18Å; L13-F114 HydrophobicContact CG-CD1 4.45Å; L13-F114 CarbonylContact O-C 3.55Å; L13-F114 WeakPolarHBondContact O-CA 3.44Å; I104-F114 HydrophobicContact CB-CD1 4.21Å; I104-F114 HydrophobicContact CB-CE1 4.44Å; I104-F114 HydrophobicContact CD1-CB 4.19Å; I104-F114 HydrophobicContact CD1-CG 4.35Å; I104-F114 HydrophobicContact CG1-CB 4.35Å; I104-F114 HydrophobicContact CG1-CD1 3.88Å; I104-F114 HydrophobicContact CG1-CG 4.11Å; I104-F114 HydrophobicContact CG2-CD1 3.87Å; I104-F114 HydrophobicContact CG2-CD2 3.88Å; I104-F114 HydrophobicContact CG2-CE1 3.95Å; I104-F114 HydrophobicContact CG2-CE2 3.96Å; I104-F114 HydrophobicContact CG2-CG 3.87Å; I104-F114 HydrophobicContact CG2-CZ 4.04Å; Y108-F114 AromaticContact CD2-CE2 3.68Å; Y108-F114 HydrophobicContact CD2-CE2 3.68Å; Y108-F114 AromaticContact CD2-CZ 3.86Å; Y108-F114 HydrophobicContact CD2-CZ 3.86Å; Y108-F114 AromaticContact CE2-CE2 3.87Å; Y108-F114 HydrophobicContact CE2-CE2 3.87Å; Y108-F114 HydrophobicContact CE2-CZ 4.49Å; Y108-F114 HydrophobicContact CG-CZ 4.46Å; Y111-F114 HydrophobicContact CD2-CE1 4.44Å; F114-K139 HydrophobicContact CE2-CB 4.32Å; F114-K139 HydrophobicContact CE2-CD 4.16Å; F114-P140 PolarHBondContact N-O 2.85Å; F114-I141 HydrophobicContact CB-CG1 4.22Å; F114-I141 HydrophobicContact CD2-CG1 4Å; F114-I141 HydrophobicContact CG-CG1 4.44Å; F114-I141 CarbonylContact O-C 3.54Å; F114-I141 WeakPolarHBondContact O-CA 3.47Å; F114-V142 PolarHBondContact O-N 3.2Å |
| 115 | V | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 135.9 | 169.4 | 175.6 | 0 | 0 | 0 | 0 | 108.4 | V12 L13 V14 L15 L117 V142 T144 L161 L165 A168 | V12-V115 HydrophobicContact CG1-CB 4.43Å; V12-V115 HydrophobicContact CG1-CG2 3.79Å; L13-V115 PolarHBondContact O-N 2.84Å; V14-V115 CarbonylContact C-O 3.56Å; V14-V115 VanDerWaalsContact CA-O 3.3Å; V14-V115 WeakPolarHBondContact CA-O 3.45Å; V14-V115 HydrophobicContact CG1-CB 4.42Å; V14-V115 HydrophobicContact CG1-CG1 4.34Å; V14-V115 HydrophobicContact CG2-CB 4.19Å; L15-V115 PolarHBondContact N-O 3.47Å; V115-L117 HydrophobicContact CG1-CD2 4.25Å; V115-V142 CarbonylContact C-O 3.5Å; V115-V142 WeakPolarHBondContact CA-O 3.46Å; V115-V142 HydrophobicContact CG2-CB 4.42Å; V115-T144 HydrophobicContact CG1-CG2 4.17Å; V115-L161 HydrophobicContact CG1-CD1 4.46Å; V115-L165 HydrophobicContact CG2-CD2 4.24Å; V115-A168 HydrophobicContact CG2-CB 3.75Å |
| 116 | I | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 114.4 | 175.1 | -55.5 | 159.9 | 0 | 0 | 0 | 107.7 | L15 T17 I100 I104 H118 L130 I141 V142 L143 T144 | L15-I116 CarbonylContact O-C 3.58Å; L15-I116 WeakPolarHBondContact O-CA 3.44Å; T17-I116 HydrophobicContact CG2-CG2 3.92Å; I100-I116 HydrophobicContact CG2-CD1 3.63Å; I100-I116 HydrophobicContact CG2-CG1 4.19Å; I104-I116 HydrophobicContact CD1-CD1 4Å; I104-I116 HydrophobicContact CD1-CG1 4.38Å; I116-H118 HydrophobicContact CG2-CB 4.48Å; I116-L130 HydrophobicContact CD1-CD1 3.41Å; I116-L130 VanDerWaalsContact CD1-CD1 3.41Å; I116-I141 HydrophobicContact CD1-CG2 3.64Å; I116-I141 HydrophobicContact CG1-CG2 4.43Å; I116-V142 PolarHBondContact N-O 3.15Å; I116-L143 HydrophobicContact CB-CG 4.18Å; I116-L143 HydrophobicContact CD1-CD1 4.33Å; I116-L143 HydrophobicContact CD1-CG 4.07Å; I116-L143 WeakPolarHBondContact O-CA 3.25Å; I116-T144 PolarHBondContact O-N 3.15Å |
| 117 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 120.7 | 172.2 | -62 | -179.1 | 0 | 0 | 0 | 108.9 | V14 L15 Y16 T17 I21 L37 L80 V115 T144 L161 | V14-L117 HydrophobicContact CG1-CD1 3.82Å; V14-L117 HydrophobicContact CG1-CG 3.82Å; L15-L117 PolarHBondContact O-N 2.93Å; Y16-L117 HydrophobicContact CD2-CB 3.78Å; Y16-L117 HydrophobicContact CD2-CD1 4.3Å; T17-L117 PolarHBondContact N-O 2.92Å; T17-L117 PolarHBondContact OG1-O 2.96Å; I21-L117 HydrophobicContact CD1-CD2 3.84Å; I21-L117 HydrophobicContact CG2-CB 4.31Å; L37-L117 HydrophobicContact CD2-CD1 3.63Å; L80-L117 HydrophobicContact CD1-CD1 4.4Å; V115-L117 HydrophobicContact CG1-CD2 4.25Å; L117-T144 HydrophobicContact CD2-CG2 3.4Å; L117-T144 VanDerWaalsContact CD2-CG2 3.4Å; L117-L161 HydrophobicContact CD2-CD1 3.96Å |
| 118 | H | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -141.9 | 152.9 | -165.3 | -161.3 | -76.9 | 0 | 0 | 0 | 111.4 | M92 I116 L123 T126 T144 G145 | M92-H118 WeakPolarHBondContact CE-CD2 3.41Å; M92-H118 WeakPolarHBondContact CE-NE2 2.9Å; M92-H118 PolarHBondContact SD-NE2 3.3Å; I116-H118 HydrophobicContact CG2-CB 4.48Å; H118-L123 HydrophobicContact CB-CD1 4.36Å; H118-L123 HydrophobicContact CB-CG 4.46Å; H118-T126 PolarHBondContact CE1-OG1 3.24Å; H118-T126 VanDerWaalsContact CE1-OG1 3.27Å; H118-T126 VanDerWaalsContact NE2-CB 3.32Å; H118-T126 WeakPolarHBondContact NE2-CB 3.48Å; H118-T126 PolarHBondContact NE2-OG1 3.04Å; H118-T144 PolarHBondContact N-O 3Å; H118-G145 WeakPolarHBondContact O-CA 3.15Å | ||
| 119 | G | 96.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | trans | -69 | 146.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S89 D121 L123 | S89-G119 WeakPolarHBondContact CB-O 3.37Å; S89-G119 VanDerWaalsContact OG-C 3.24Å; S89-G119 WeakPolarHBondContact OG-CA 3.29Å; S89-G119 PolarHBondContact OG-O 3.1Å; G119-D121 PolarHBondContact O-N 3.37Å; G119-L123 WeakPolarHBondContact O-CB 3.39Å | ||
| 120 | T | 97.1 | Very high | 97.7 | Very high | 4 Ų | 4 | 15.8 Ų | 15.8 | 3% | 0.025 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -74.1 | -25.7 | -169.4 | 56 | 0 | 0 | 0 | 0 | 113 | T122 L123 S146 Q147 F180 K192 F201 | T120-T122 PolarHBondContact O-N 3.21Å; T120-L123 PolarHBondContact O-N 3.44Å; T120-S146 WeakPolarHBondContact CG2-O 3.49Å; T120-Q147 PolarHBondContact OG1-OE1 2.95Å; T120-F180 HydrophobicContact CG2-CE2 4.05Å; T120-F180 HydrophobicContact CG2-CZ 4.23Å; T120-K192 WeakPolarHBondContact O-CD 3.31Å; T120-K192 PolarHBondContact OG1-NZ 2.93Å; T120-F201 HydrophobicContact CG2-CE2 4.1Å; T120-F201 HydrophobicContact CG2-CZ 4.09Å |
| 121 | D | 96.2 | Very high | 98 | Very high | 81 Ų | 81 | 12.4 Ų | 12.4 | 43% | 0.433 | 6% | 0.062 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -40 | -171.1 | -62.9 | -31.3 | 0 | 0 | 0 | 114.4 | S89 G119 K192 | S89-D121 WeakPolarHBondContact OG-CB 3.45Å; S89-D121 PolarHBondContact OG-N 2.91Å; G119-D121 PolarHBondContact O-N 3.37Å; D121-K192 IonicContact OD1-NZ 3.4Å; D121-K192 PolarHBondContact OD1-NZ 2.92Å |
| 122 | T | 97.6 | Very high | 98.1 | Very high | 29 Ų | 29 | 11.1 Ų | 11.1 | 18% | 0.178 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | 14.6 | 177.9 | 67.8 | 0 | 0 | 0 | 0 | 113.4 | S89 T120 C124 Y125 T126 | S89-T122 VanDerWaalsContact CB-OG1 3.29Å; S89-T122 WeakPolarHBondContact CB-OG1 3.41Å; S89-T122 VanDerWaalsContact O-CG2 3.28Å; S89-T122 WeakPolarHBondContact O-CG2 3.37Å; S89-T122 PolarHBondContact O-OG1 2.92Å; S89-T122 PolarHBondContact OG-N 3.5Å; T120-T122 PolarHBondContact O-N 3.21Å; T122-C124 VanDerWaalsContact C-N 3.3Å; T122-C124 PolarHBondContact O-N 3.41Å; T122-Y125 WeakPolarHBondContact O-CB 3.08Å; T122-Y125 PolarHBondContact O-N 3.3Å; T122-T126 PolarHBondContact O-N 2.59Å |
| 123 | L | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -55.1 | -43.4 | -176.8 | -165.3 | 153.2 | 0 | 0 | 0 | 112.4 | H118 G119 T120 Y125 T126 A127 L143 I178 F201 | H118-L123 HydrophobicContact CB-CD1 4.36Å; H118-L123 HydrophobicContact CB-CG 4.46Å; G119-L123 WeakPolarHBondContact O-CB 3.39Å; T120-L123 PolarHBondContact O-N 3.44Å; L123-Y125 VanDerWaalsContact C-N 3.34Å; L123-Y125 PolarHBondContact O-N 3.1Å; L123-T126 PolarHBondContact O-N 3.15Å; L123-A127 WeakPolarHBondContact O-CB 3.33Å; L123-A127 PolarHBondContact O-N 3.1Å; L123-L143 HydrophobicContact CD2-CB 4.11Å; L123-L143 HydrophobicContact CG-CB 4.44Å; L123-I178 HydrophobicContact CD2-CB 4.15Å; L123-I178 HydrophobicContact CD2-CD1 3.25Å; L123-I178 HydrophobicContact CD2-CG1 3.39Å; L123-I178 HydrophobicContact CD2-CG2 3.66Å; L123-F201 HydrophobicContact CB-CE1 4.01Å; L123-F201 HydrophobicContact CB-CZ 3.82Å; L123-F201 HydrophobicContact CD1-CE2 4.26Å; L123-F201 HydrophobicContact CD1-CZ 3.89Å; L123-F201 HydrophobicContact CD2-CE1 4.25Å; L123-F201 HydrophobicContact CD2-CZ 4.13Å; L123-F201 HydrophobicContact CG-CZ 4.18Å |
| 124 | C | 98.5 | Very high | 98.2 | Very high | 3 Ų | 3 | 9.7 Ų | 9.7 | 2% | 0.02 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -65 | -34.2 | 177.9 | -62.6 | 0 | 0 | 0 | 0 | 113 | T122 S128 T190 T191 F201 E351 | T122-C124 VanDerWaalsContact C-N 3.3Å; T122-C124 PolarHBondContact O-N 3.41Å; C124-S128 VanDerWaalsContact O-CB 3.27Å; C124-S128 WeakPolarHBondContact O-CB 3.38Å; C124-S128 PolarHBondContact O-N 2.93Å; C124-S128 PolarHBondContact O-OG 3.07Å; C124-T190 PolarHBondContact SG-OG1 3.38Å; C124-T191 VanDerWaalsContact SG-C 3.58Å; C124-T191 VanDerWaalsContact SG-CA 3.58Å; C124-F201 WeakPolarHBondContact SG-CD1 3.3Å; C124-F201 VanDerWaalsContact SG-CE1 3.53Å; C124-E351 HydrophobicContact CB-CB 4.33Å; C124-E351 HydrophobicContact CB-CG 3.83Å |
| 125 | Y | 98.5 | Very high | 98.1 | Very high | 73 Ų | 73 | 10.7 Ų | 10.7 | 29% | 0.286 | 5% | 0.054 | S | C | . | . | H | α-helix | trans | -67.8 | -47.5 | 174.4 | -71.2 | -87.1 | 0 | 0 | 0 | 110.9 | T122 L123 A127 S128 A129 E351 L354 | T122-Y125 WeakPolarHBondContact O-CB 3.08Å; T122-Y125 PolarHBondContact O-N 3.3Å; L123-Y125 VanDerWaalsContact C-N 3.34Å; L123-Y125 PolarHBondContact O-N 3.1Å; Y125-A127 PolarHBondContact O-N 3.39Å; Y125-S128 PolarHBondContact O-N 3.34Å; Y125-A129 WeakPolarHBondContact O-CB 3.25Å; Y125-A129 PolarHBondContact O-N 2.87Å; Y125-E351 HydrophobicContact CD1-CB 4.03Å; Y125-E351 HydrophobicContact CD1-CG 4Å; Y125-E351 HydrophobicContact CD2-CG 3.82Å; Y125-E351 HydrophobicContact CE1-CB 4.18Å; Y125-E351 HydrophobicContact CE1-CG 3.88Å; Y125-E351 HydrophobicContact CE2-CG 3.69Å; Y125-E351 HydrophobicContact CG-CB 4.25Å; Y125-E351 HydrophobicContact CG-CG 3.98Å; Y125-L354 HydrophobicContact CE1-CD1 3.87Å |
| 126 | T | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 177.3 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | W97 I100 H118 T122 L123 S128 A129 L130 L143 | W97-T126 PolarHBondContact NE1-OG1 3.38Å; I100-T126 HydrophobicContact CD1-CG2 4.19Å; H118-T126 PolarHBondContact CE1-OG1 3.24Å; H118-T126 VanDerWaalsContact CE1-OG1 3.27Å; H118-T126 VanDerWaalsContact NE2-CB 3.32Å; H118-T126 WeakPolarHBondContact NE2-CB 3.48Å; H118-T126 PolarHBondContact NE2-OG1 3.04Å; T122-T126 PolarHBondContact O-N 2.59Å; L123-T126 PolarHBondContact O-N 3.15Å; T126-S128 VanDerWaalsContact C-N 3.31Å; T126-S128 PolarHBondContact O-N 2.93Å; T126-A129 PolarHBondContact O-N 2.99Å; T126-L130 HydrophobicContact CG2-CD1 3.85Å; T126-L130 HydrophobicContact CG2-CG 4.24Å; T126-L130 WeakPolarHBondContact O-CB 3.44Å; T126-L130 VanDerWaalsContact O-CG 3.29Å; T126-L130 WeakPolarHBondContact O-CG 3.27Å; T126-L130 PolarHBondContact O-N 2.97Å; T126-L143 HydrophobicContact CG2-CD2 3.83Å |
| 127 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.5 | -43.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | L123 Y125 S131 L143 V176 I178 | L123-A127 WeakPolarHBondContact O-CB 3.33Å; L123-A127 PolarHBondContact O-N 3.1Å; Y125-A127 PolarHBondContact O-N 3.39Å; A127-S131 VanDerWaalsContact O-CB 3.28Å; A127-S131 WeakPolarHBondContact O-CB 3.23Å; A127-S131 PolarHBondContact O-N 2.82Å; A127-L143 HydrophobicContact CB-CD1 3.83Å; A127-L143 HydrophobicContact CB-CD2 3.98Å; A127-L143 HydrophobicContact CB-CG 4.41Å; A127-V176 HydrophobicContact CB-CG1 4.34Å; A127-V176 WeakPolarHBondContact O-CG1 3.27Å; A127-I178 HydrophobicContact CB-CD1 3.74Å; A127-I178 HydrophobicContact CB-CG1 3.87Å |
| 128 | S | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -67.2 | -42.9 | 177.4 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | C124 Y125 T126 S131 F132 T355 | C124-S128 VanDerWaalsContact O-CB 3.27Å; C124-S128 WeakPolarHBondContact O-CB 3.38Å; C124-S128 PolarHBondContact O-N 2.93Å; C124-S128 PolarHBondContact O-OG 3.07Å; Y125-S128 PolarHBondContact O-N 3.34Å; T126-S128 VanDerWaalsContact C-N 3.31Å; T126-S128 PolarHBondContact O-N 2.93Å; S128-S131 WeakPolarHBondContact O-CB 3.22Å; S128-S131 PolarHBondContact O-N 3.09Å; S128-F132 WeakPolarHBondContact O-CD2 3.48Å; S128-F132 PolarHBondContact O-N 3.25Å; S128-T355 WeakPolarHBondContact CB-OG1 3.36Å; S128-T355 PolarHBondContact O-OG1 3.29Å |
| 129 | A | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.008 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.9 | -52.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | W97 Y125 T126 S131 F132 M133 L238 T355 | W97-A129 HydrophobicContact CD2-CB 3.56Å; W97-A129 HydrophobicContact CE3-CB 3.45Å; W97-A129 VanDerWaalsContact CE3-CB 3.45Å; W97-A129 HydrophobicContact CG-CB 4.11Å; W97-A129 HydrophobicContact CH2-CB 4.21Å; W97-A129 HydrophobicContact CZ2-CB 4.3Å; W97-A129 HydrophobicContact CZ3-CB 3.8Å; Y125-A129 WeakPolarHBondContact O-CB 3.25Å; Y125-A129 PolarHBondContact O-N 2.87Å; T126-A129 PolarHBondContact O-N 2.99Å; A129-S131 PolarHBondContact O-N 3.41Å; A129-F132 PolarHBondContact O-N 3.41Å; A129-F132 VanDerWaalsContact O-N 3.1Å; A129-M133 VanDerWaalsContact O-CG 3.23Å; A129-M133 WeakPolarHBondContact O-CG 3.47Å; A129-M133 PolarHBondContact O-N 3.17Å; A129-L238 HydrophobicContact CB-CD1 4.41Å; A129-T355 HydrophobicContact CB-CG2 3.83Å |
| 130 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.2 | -37 | 178.3 | -64.6 | 174.7 | 0 | 0 | 0 | 111.3 | I100 A101 I116 T126 F132 M133 F134 V176 | I100-L130 HydrophobicContact CB-CD2 4.35Å; I100-L130 HydrophobicContact CG2-CD1 3.86Å; I100-L130 HydrophobicContact CG2-CD2 4.04Å; A101-L130 HydrophobicContact CB-CD2 4.01Å; I116-L130 HydrophobicContact CD1-CD1 3.41Å; I116-L130 VanDerWaalsContact CD1-CD1 3.41Å; T126-L130 HydrophobicContact CG2-CD1 3.85Å; T126-L130 HydrophobicContact CG2-CG 4.24Å; T126-L130 WeakPolarHBondContact O-CB 3.44Å; T126-L130 VanDerWaalsContact O-CG 3.29Å; T126-L130 WeakPolarHBondContact O-CG 3.27Å; T126-L130 PolarHBondContact O-N 2.97Å; L130-F132 VanDerWaalsContact C-N 3.28Å; L130-F132 PolarHBondContact O-N 3.45Å; L130-M133 HydrophobicContact CD2-SD 4.14Å; L130-M133 PolarHBondContact O-N 3.22Å; L130-F134 HydrophobicContact CB-CD2 4.42Å; L130-F134 HydrophobicContact CD2-CE2 4.17Å; L130-F134 WeakPolarHBondContact O-CD2 3.46Å; L130-F134 PolarHBondContact O-N 2.92Å; L130-V176 HydrophobicContact CB-CG1 4.14Å; L130-V176 HydrophobicContact CB-CG2 4.18Å |
| 131 | S | 98.6 | Very high | 97.5 | Very high | 9 Ų | 9 | 13.7 Ų | 13.7 | 6% | 0.063 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.2 | -39.1 | 176.4 | -176.8 | 0 | 0 | 0 | 0 | 113.1 | A127 S128 A129 N188 R380 | A127-S131 VanDerWaalsContact O-CB 3.28Å; A127-S131 WeakPolarHBondContact O-CB 3.23Å; A127-S131 PolarHBondContact O-N 2.82Å; S128-S131 WeakPolarHBondContact O-CB 3.22Å; S128-S131 PolarHBondContact O-N 3.09Å; A129-S131 PolarHBondContact O-N 3.41Å; S131-N188 PolarHBondContact OG-ND2 3.48Å; S131-R380 VanDerWaalsContact O-CD 3.23Å; S131-R380 WeakPolarHBondContact O-CD 3.03Å; S131-R380 WeakPolarHBondContact O-CG 2.84Å; S131-R380 PolarHBondContact O-NE 3.27Å |
| 132 | F | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -82.2 | -35 | 175.8 | -63.1 | -63.7 | 0 | 0 | 0 | 113.1 | S128 A129 L130 F134 A352 T355 K356 Y359 I379 R380 E382 | S128-F132 WeakPolarHBondContact O-CD2 3.48Å; S128-F132 PolarHBondContact O-N 3.25Å; A129-F132 PolarHBondContact O-N 3.41Å; A129-F132 VanDerWaalsContact O-N 3.1Å; L130-F132 VanDerWaalsContact C-N 3.28Å; L130-F132 PolarHBondContact O-N 3.45Å; F132-F134 VanDerWaalsContact C-N 3.34Å; F132-F134 PolarHBondContact O-N 3.27Å; F132-A352 WeakPolarHBondContact CE2-O 3.33Å; F132-T355 WeakPolarHBondContact CD2-OG1 3.48Å; F132-T355 VanDerWaalsContact CE2-OG1 3.29Å; F132-T355 WeakPolarHBondContact CE2-OG1 3.46Å; F132-K356 HydrophobicContact CD1-CB 4.48Å; F132-K356 HydrophobicContact CD1-CG 4.28Å; F132-K356 HydrophobicContact CD2-CB 4.16Å; F132-K356 HydrophobicContact CE1-CB 3.95Å; F132-K356 HydrophobicContact CE1-CD 4.02Å; F132-K356 HydrophobicContact CE1-CG 3.75Å; F132-K356 HydrophobicContact CE2-CB 3.6Å; F132-K356 HydrophobicContact CE2-CG 4.33Å; F132-K356 HydrophobicContact CZ-CB 3.49Å; F132-K356 VanDerWaalsContact CZ-CB 3.49Å; F132-K356 HydrophobicContact CZ-CD 4.03Å; F132-K356 HydrophobicContact CZ-CG 3.81Å; F132-Y359 HydrophobicContact CB-CD1 4.25Å; F132-Y359 HydrophobicContact CB-CD2 4.03Å; F132-Y359 HydrophobicContact CB-CG 3.77Å; F132-Y359 HydrophobicContact CG-CG 4.49Å; F132-Y359 WeakPolarHBondContact O-CD2 3.18Å; F132-Y359 WeakPolarHBondContact O-CE2 3.27Å; F132-I379 HydrophobicContact CD1-CD1 3.65Å; F132-I379 HydrophobicContact CD1-CG1 4.07Å; F132-I379 HydrophobicContact CE1-CD1 3.75Å; F132-I379 HydrophobicContact CE1-CG1 3.78Å; F132-R380 HydrophobicContact CD1-CB 4.37Å; F132-R380 HydrophobicContact CD1-CG 3.8Å; F132-R380 HydrophobicContact CE1-CB 4.15Å; F132-R380 HydrophobicContact CE1-CG 4.06Å; F132-E382 HydrophobicContact CE1-CG 4.12Å; F132-E382 HydrophobicContact CZ-CB 4.06Å; F132-E382 HydrophobicContact CZ-CG 3.83Å |
| 133 | M | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -63.4 | -38.6 | 179.1 | -68.9 | 172.6 | 75.2 | 0 | 0 | 112.4 | W97 A101 A129 L130 E135 V234 R235 L238 | W97-M133 HydrophobicContact CB-SD 4.01Å; A101-M133 HydrophobicContact CB-CE 3.46Å; A101-M133 VanDerWaalsContact CB-CE 3.46Å; A101-M133 HydrophobicContact CB-SD 4.37Å; A129-M133 VanDerWaalsContact O-CG 3.23Å; A129-M133 WeakPolarHBondContact O-CG 3.47Å; A129-M133 PolarHBondContact O-N 3.17Å; L130-M133 HydrophobicContact CD2-SD 4.14Å; L130-M133 PolarHBondContact O-N 3.22Å; M133-E135 PolarHBondContact O-N 3.19Å; M133-V234 CarbonylContact O-C 3.34Å; M133-V234 WeakPolarHBondContact O-CA 3.37Å; M133-R235 WeakPolarHBondContact CG-O 3.23Å; M133-R235 PolarHBondContact O-N 2.84Å; M133-L238 HydrophobicContact CG-CD1 3.93Å; M133-L238 HydrophobicContact CG-CD2 4.05Å; M133-L238 HydrophobicContact CG-CG 4.13Å; M133-L238 HydrophobicContact SD-CD1 3.83Å; M133-L238 HydrophobicContact SD-CG 4.45Å |
| 134 | F | 97.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 8.5 Ų | 8.5 | 1% | 0.009 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 106.9 | 175.5 | -75.8 | -89.6 | 0 | 0 | 0 | 110.6 | A101 I104 L130 F132 L137 I141 V232 V234 R380 | A101-F134 HydrophobicContact CB-CE2 3.75Å; A101-F134 HydrophobicContact CB-CZ 4.03Å; A101-F134 WeakPolarHBondContact O-CZ 3.33Å; I104-F134 HydrophobicContact CB-CE1 4.36Å; I104-F134 HydrophobicContact CB-CZ 3.77Å; I104-F134 HydrophobicContact CD1-CZ 4.38Å; I104-F134 HydrophobicContact CG2-CE1 3.72Å; I104-F134 HydrophobicContact CG2-CZ 3.57Å; L130-F134 HydrophobicContact CB-CD2 4.42Å; L130-F134 HydrophobicContact CD2-CE2 4.17Å; L130-F134 WeakPolarHBondContact O-CD2 3.46Å; L130-F134 PolarHBondContact O-N 2.92Å; F132-F134 VanDerWaalsContact C-N 3.34Å; F132-F134 PolarHBondContact O-N 3.27Å; F134-L137 HydrophobicContact CB-CB 4.28Å; F134-L137 HydrophobicContact CB-CD1 4.37Å; F134-L137 HydrophobicContact CD1-CD1 4.09Å; F134-L137 HydrophobicContact CG-CD1 4.39Å; F134-I141 HydrophobicContact CD1-CD1 4.15Å; F134-I141 HydrophobicContact CD2-CD1 3.89Å; F134-I141 HydrophobicContact CE1-CD1 4.17Å; F134-I141 HydrophobicContact CE2-CD1 3.91Å; F134-I141 HydrophobicContact CG-CD1 4.03Å; F134-I141 HydrophobicContact CZ-CD1 4.06Å; F134-V232 HydrophobicContact CD1-CG2 3.81Å; F134-V234 HydrophobicContact CD1-CG2 3.58Å; F134-V234 HydrophobicContact CE1-CG2 3.41Å; F134-V234 VanDerWaalsContact CE1-CG2 3.41Å; F134-V234 HydrophobicContact CG-CG2 4.37Å; F134-V234 HydrophobicContact CZ-CG1 4.43Å; F134-V234 HydrophobicContact CZ-CG2 4.08Å; F134-R380 PolarHBondContact O-NE 3.26Å; F134-R380 VanDerWaalsContact O-NE 3.12Å |
| 135 | E | 95.6 | Very high | 97.7 | Very high | 21 Ų | 21 | 8.3 Ų | 8.3 | 10% | 0.098 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 141.2 | 167.5 | -35.4 | -159.6 | 144.5 | 0 | 0 | 109.7 | M133 L137 V232 F233 R235 Y359 R363 R380 | M133-E135 PolarHBondContact O-N 3.19Å; E135-L137 PolarHBondContact O-N 3.19Å; E135-V232 WeakPolarHBondContact O-CA 3.28Å; E135-V232 WeakPolarHBondContact O-CG2 3.35Å; E135-F233 HydrophobicContact CB-CB 4.31Å; E135-F233 HydrophobicContact CG-CD1 4.06Å; E135-F233 PolarHBondContact N-O 2.94Å; E135-F233 PolarHBondContact O-N 3.43Å; E135-F233 WeakPolarHBondContact OE2-CD1 3.48Å; E135-R235 VanDerWaalsContact CD-NE 3.29Å; E135-R235 HydrophobicContact CG-CG 4.48Å; E135-R235 WeakPolarHBondContact OE1-CD 3.3Å; E135-R235 IonicContact OE1-CZ 3.7Å; E135-R235 IonicContact OE1-NE 2.67Å; E135-R235 PolarHBondContact OE1-NE 2.95Å; E135-R235 IonicContact OE1-NH2 3Å; E135-R235 PolarHBondContact OE1-NH2 3.03Å; E135-R235 IonicContact OE2-CZ 2.69Å; E135-R235 IonicContact OE2-NE 2.68Å; E135-R235 PolarHBondContact OE2-NE 2.88Å; E135-R235 IonicContact OE2-NH2 2.7Å; E135-R235 PolarHBondContact OE2-NH2 3.34Å; E135-Y359 WeakPolarHBondContact OE1-CE2 3.39Å; E135-Y359 PolarHBondContact OE1-OH 3.28Å; E135-R363 IonicContact OE1-NH1 3.84Å; E135-R380 VanDerWaalsContact CA-NH2 3.34Å; E135-R380 VanDerWaalsContact CG-NH2 3.31Å; E135-R380 IonicContact OE1-NH2 3.36Å |
| 136 | D | 93.8 | Very high | 97.6 | Very high | 31 Ų | 31 | 4.9 Ų | 4.9 | 17% | 0.166 | 3% | 0.029 | C | C | . | . | S | Bend | trans | 53.9 | 38.5 | 177.9 | -49.9 | -44.1 | 0 | 0 | 0 | 112.9 | G138 S226 V228 S230 | D136-G138 PolarHBondContact O-N 2.94Å; D136-S226 WeakPolarHBondContact OD1-CB 3.38Å; D136-S226 PolarHBondContact OD1-OG 2.85Å; D136-V228 WeakPolarHBondContact OD1-CB 3.46Å; D136-S230 WeakPolarHBondContact CB-OG 3.21Å; D136-S230 PolarHBondContact OD2-OG 3.05Å |
| 137 | L | 95.7 | Very high | 97.4 | Very high | 19 Ų | 19 | 6.5 Ų | 6.5 | 10% | 0.099 | 4% | 0.036 | C | C | . | . | trans | -55.3 | 131.5 | 172.6 | -175 | 64 | 0 | 0 | 0 | 109.1 | Y108 F134 E135 K139 I141 P174 V176 V232 | Y108-L137 HydrophobicContact CE2-CD1 3.91Å; F134-L137 HydrophobicContact CB-CB 4.28Å; F134-L137 HydrophobicContact CB-CD1 4.37Å; F134-L137 HydrophobicContact CD1-CD1 4.09Å; F134-L137 HydrophobicContact CG-CD1 4.39Å; E135-L137 PolarHBondContact O-N 3.19Å; L137-K139 WeakPolarHBondContact CD1-O 3.28Å; L137-K139 WeakPolarHBondContact CD2-O 3.38Å; L137-K139 VanDerWaalsContact CG-O 3.25Å; L137-K139 WeakPolarHBondContact CG-O 3.48Å; L137-I141 HydrophobicContact CD1-CD1 3.69Å; L137-I141 HydrophobicContact CD1-CG1 4.14Å; L137-I141 HydrophobicContact CD2-CD1 4.01Å; L137-I141 HydrophobicContact CD2-CG1 4.23Å; L137-P174 WeakPolarHBondContact O-CB 3.38Å; L137-V176 HydrophobicContact CD2-CG2 4.02Å; L137-V232 HydrophobicContact CD1-CG2 4.5Å | ||
| 138 | G | 94.5 | Very high | 97.2 | Very high | 12 Ų | 12 | 8.8 Ų | 8.8 | 12% | 0.124 | 5% | 0.048 | C | C | . | . | trans | -115.6 | -7.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y108 D136 H481 | Y108-G138 WeakPolarHBondContact OH-CA 3.45Å; Y108-G138 PolarHBondContact OH-N 3.41Å; D136-G138 PolarHBondContact O-N 2.94Å; G138-H481 PolarHBondContact O-CD2 3.41Å | ||
| 139 | K | 96.3 | Very high | 97 | Very high | 4 Ų | 4 | 8.9 Ų | 8.9 | 2% | 0.017 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -130.5 | 153.3 | -173.6 | -65.9 | -178.2 | -179.2 | -173.6 | 0 | 111.2 | Y108 Y111 F114 L137 I141 H512 | Y108-K139 HydrophobicContact CD1-CD 4.39Å; Y108-K139 HydrophobicContact CE1-CD 3.91Å; Y108-K139 HydrophobicContact CE1-CG 4.21Å; Y108-K139 HydrophobicContact CE2-CB 4.13Å; Y108-K139 HydrophobicContact CE2-CD 4.11Å; Y108-K139 HydrophobicContact CE2-CG 4.35Å; Y108-K139 PolarHBondContact O-NZ 3.42Å; Y108-K139 PolarHBondContact OH-N 2.65Å; Y108-K139 VanDerWaalsContact OH-N 3.08Å; Y111-K139 WeakPolarHBondContact O-CD 3.28Å; Y111-K139 PolarHBondContact O-NZ 3.17Å; F114-K139 HydrophobicContact CE2-CB 4.32Å; F114-K139 HydrophobicContact CE2-CD 4.16Å; L137-K139 WeakPolarHBondContact CD1-O 3.28Å; L137-K139 WeakPolarHBondContact CD2-O 3.38Å; L137-K139 VanDerWaalsContact CG-O 3.25Å; L137-K139 WeakPolarHBondContact CG-O 3.48Å; K139-I141 PolarHBondContact O-N 3.38Å; K139-H512 WeakPolarHBondContact CE-CE1 3.15Å; K139-H512 PolarHBondContact NZ-CE1 2.99Å; K139-H512 PolarHBondContact NZ-NE2 3.01Å |
| 140 | P | 98.2 | Very high | 96.7 | Very high | 3 Ų | 3 | 9.2 Ų | 9.2 | 2% | 0.019 | 5% | 0.051 | C | C | . | . | trans | -66.2 | 131.7 | 177 | 27.1 | -34.9 | 0 | 0 | 0 | 112.1 | G113 F114 V142 I173 | G113-P140 WeakPolarHBondContact CA-O 3.37Å; F114-P140 PolarHBondContact N-O 2.85Å; P140-V142 HydrophobicContact CB-CG2 4.27Å; P140-I173 WeakPolarHBondContact CA-O 3.07Å; P140-I173 VanDerWaalsContact CB-O 3.32Å; P140-I173 WeakPolarHBondContact CB-O 3.31Å | ||
| 141 | I | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 109.8 | 163.8 | -60.3 | 173.8 | 0 | 0 | 0 | 106.7 | I104 F114 I116 F134 L137 K139 E175 V176 T177 | I104-I141 HydrophobicContact CD1-CD1 4.09Å; I104-I141 HydrophobicContact CD1-CG1 4.37Å; I104-I141 HydrophobicContact CD1-CG2 4.01Å; I104-I141 HydrophobicContact CG2-CD1 4.11Å; F114-I141 HydrophobicContact CB-CG1 4.22Å; F114-I141 HydrophobicContact CD2-CG1 4Å; F114-I141 HydrophobicContact CG-CG1 4.44Å; F114-I141 CarbonylContact O-C 3.54Å; F114-I141 WeakPolarHBondContact O-CA 3.47Å; I116-I141 HydrophobicContact CD1-CG2 3.64Å; I116-I141 HydrophobicContact CG1-CG2 4.43Å; F134-I141 HydrophobicContact CD1-CD1 4.15Å; F134-I141 HydrophobicContact CD2-CD1 3.89Å; F134-I141 HydrophobicContact CE1-CD1 4.17Å; F134-I141 HydrophobicContact CE2-CD1 3.91Å; F134-I141 HydrophobicContact CG-CD1 4.03Å; F134-I141 HydrophobicContact CZ-CD1 4.06Å; L137-I141 HydrophobicContact CD1-CD1 3.69Å; L137-I141 HydrophobicContact CD1-CG1 4.14Å; L137-I141 HydrophobicContact CD2-CD1 4.01Å; L137-I141 HydrophobicContact CD2-CG1 4.23Å; K139-I141 PolarHBondContact O-N 3.38Å; I141-E175 PolarHBondContact N-O 3.38Å; I141-E175 VanDerWaalsContact N-O 3.12Å; I141-V176 HydrophobicContact CB-CG2 4.14Å; I141-V176 HydrophobicContact CD1-CG2 4.19Å; I141-V176 HydrophobicContact CG2-CG1 4.4Å; I141-V176 HydrophobicContact CG2-CG2 4.44Å; I141-V176 CarbonylContact O-C 3.55Å; I141-V176 WeakPolarHBondContact O-CA 3.44Å; I141-T177 PolarHBondContact O-N 2.91Å; I141-T177 PolarHBondContact O-OG1 3.47Å |
| 142 | V | 98.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 110.3 | -173.9 | -169.2 | 0 | 0 | 0 | 0 | 109.7 | F114 V115 I116 P140 I167 A168 C179 L184 | F114-V142 PolarHBondContact O-N 3.2Å; V115-V142 CarbonylContact C-O 3.5Å; V115-V142 WeakPolarHBondContact CA-O 3.46Å; V115-V142 HydrophobicContact CG2-CB 4.42Å; I116-V142 PolarHBondContact N-O 3.15Å; P140-V142 HydrophobicContact CB-CG2 4.27Å; V142-I167 HydrophobicContact CG2-CB 4.25Å; V142-I167 HydrophobicContact CG2-CG2 3.77Å; V142-A168 HydrophobicContact CG2-CB 4.11Å; V142-C179 HydrophobicContact CG1-CB 3.46Å; V142-C179 VanDerWaalsContact CG1-CB 3.46Å; V142-L184 HydrophobicContact CG1-CD1 4.28Å |
| 143 | L | 98.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 144 | 169.3 | -66.7 | 89.4 | 0 | 0 | 0 | 109.8 | I116 L123 T126 A127 V176 T177 I178 C179 | I116-L143 HydrophobicContact CB-CG 4.18Å; I116-L143 HydrophobicContact CD1-CD1 4.33Å; I116-L143 HydrophobicContact CD1-CG 4.07Å; I116-L143 WeakPolarHBondContact O-CA 3.25Å; L123-L143 HydrophobicContact CD2-CB 4.11Å; L123-L143 HydrophobicContact CG-CB 4.44Å; T126-L143 HydrophobicContact CG2-CD2 3.83Å; A127-L143 HydrophobicContact CB-CD1 3.83Å; A127-L143 HydrophobicContact CB-CD2 3.98Å; A127-L143 HydrophobicContact CB-CG 4.41Å; L143-V176 HydrophobicContact CD1-CG1 3.29Å; L143-T177 WeakPolarHBondContact CD1-O 3.22Å; L143-T177 PolarHBondContact N-O 2.72Å; L143-I178 HydrophobicContact CB-CG1 4.21Å; L143-I178 WeakPolarHBondContact O-CA 3.44Å; L143-C179 PolarHBondContact O-N 2.69Å |
| 144 | T | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 172 | 171.7 | -163.3 | 0 | 0 | 0 | 0 | 110.9 | V115 I116 L117 H118 N160 S164 C179 | V115-T144 HydrophobicContact CG1-CG2 4.17Å; I116-T144 PolarHBondContact O-N 3.15Å; L117-T144 HydrophobicContact CD2-CG2 3.4Å; L117-T144 VanDerWaalsContact CD2-CG2 3.4Å; H118-T144 PolarHBondContact N-O 3Å; T144-N160 WeakPolarHBondContact OG1-CB 3.42Å; T144-S164 WeakPolarHBondContact CB-OG 3.49Å; T144-S164 VanDerWaalsContact CG2-OG 3.3Å; T144-S164 WeakPolarHBondContact CG2-OG 3.49Å; T144-C179 WeakPolarHBondContact CB-O 3.46Å; T144-C179 PolarHBondContact OG1-O 2.74Å |
| 145 | G | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -165.4 | -159.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | H118 N160 F180 | H118-G145 WeakPolarHBondContact O-CA 3.15Å; G145-N160 PolarHBondContact O-ND2 3.27Å; G145-F180 WeakPolarHBondContact O-CE2 3.32Å | ||
| 146 | S | 96.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | trans | -152.7 | 159.3 | 172.2 | 72.9 | 0 | 0 | 0 | 0 | 111.2 | T20 I21 T120 I148 D156 G157 | T20-S146 WeakPolarHBondContact CB-O 3.34Å; I21-S146 WeakPolarHBondContact CA-OG 3.25Å; I21-S146 WeakPolarHBondContact CB-OG 3.48Å; I21-S146 PolarHBondContact N-OG 3.47Å; T120-S146 WeakPolarHBondContact CG2-O 3.49Å; S146-I148 VanDerWaalsContact CB-O 3.27Å; S146-I148 WeakPolarHBondContact CB-O 3.19Å; S146-I148 PolarHBondContact OG-O 2.81Å; S146-D156 VanDerWaalsContact CA-OD2 3.28Å; S146-D156 WeakPolarHBondContact CA-OD2 3.28Å; S146-D156 WeakPolarHBondContact CB-OD1 3.08Å; S146-G157 VanDerWaalsContact CB-CA 3.41Å | ||
| 147 | Q | 95.4 | Very high | 94.9 | Very high | 33 Ų | 33 | 29.5 Ų | 29.5 | 15% | 0.154 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -86 | -25.8 | 169.5 | -62.9 | -70.7 | 72.5 | 0 | 0 | 111.2 | T20 T120 D156 F180 C195 G197 L198 A200 | T20-Q147 WeakPolarHBondContact CG2-O 3.35Å; T120-Q147 PolarHBondContact OG1-OE1 2.95Å; Q147-D156 PolarHBondContact N-OD1 2.87Å; Q147-D156 VanDerWaalsContact N-OD1 3.13Å; Q147-D156 PolarHBondContact N-OD2 3.06Å; Q147-F180 HydrophobicContact CG-CE1 4.43Å; Q147-F180 HydrophobicContact CG-CZ 4.13Å; Q147-C195 PolarHBondContact NE2-O 3.14Å; Q147-G197 PolarHBondContact NE2-O 3.35Å; Q147-L198 HydrophobicContact CB-CD2 4.18Å; Q147-A200 HydrophobicContact CG-CB 4.34Å |
| 148 | I | 94.4 | Very high | 94.8 | Very high | 48 Ų | 48 | 32.6 Ų | 32.6 | 25% | 0.246 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -123 | 134.2 | 178.4 | -52.2 | 171.1 | 0 | 0 | 0 | 109.2 | S146 E152 R154 C155 D156 L198 | S146-I148 VanDerWaalsContact CB-O 3.27Å; S146-I148 WeakPolarHBondContact CB-O 3.19Å; S146-I148 PolarHBondContact OG-O 2.81Å; I148-E152 HydrophobicContact CG2-CB 3.71Å; I148-E152 HydrophobicContact CG2-CG 3.84Å; I148-R154 WeakPolarHBondContact CD1-O 3.31Å; I148-R154 VanDerWaalsContact CG2-O 3.32Å; I148-R154 WeakPolarHBondContact CG2-O 3.48Å; I148-C155 HydrophobicContact CB-CB 4.3Å; I148-C155 HydrophobicContact CG2-CB 4.24Å; I148-D156 PolarHBondContact N-OD1 3.49Å; I148-L198 HydrophobicContact CD1-CD2 4.38Å |
| 149 | P | 93.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.013 | 19% | 0.186 | C | C | . | . | trans | -56.8 | 147 | 179.4 | -23.2 | 32.6 | 0 | 0 | 0 | 112.9 | T20 M23 Y30 S151 E152 C155 | T20-P149 HydrophobicContact CG2-CG 3.92Å; T20-P149 VanDerWaalsContact O-CA 3.25Å; T20-P149 WeakPolarHBondContact O-CA 3.36Å; T20-P149 VanDerWaalsContact O-CB 3.29Å; T20-P149 WeakPolarHBondContact O-CB 3.13Å; T20-P149 WeakPolarHBondContact O-CG 3.27Å; M23-P149 WeakPolarHBondContact O-CB 3.45Å; Y30-P149 HydrophobicContact CD1-CG 3.66Å; Y30-P149 HydrophobicContact CE1-CG 3.56Å; Y30-P149 HydrophobicContact CG-CG 4.31Å; P149-S151 PolarHBondContact O-N 3.25Å; P149-S151 VanDerWaalsContact O-N 3.14Å; P149-E152 HydrophobicContact CB-CG 4.37Å; P149-E152 HydrophobicContact CG-CG 4.46Å; P149-E152 WeakPolarHBondContact O-CB 3.47Å; P149-E152 PolarHBondContact O-N 3.01Å; P149-E152 VanDerWaalsContact O-N 3.13Å; P149-C155 WeakPolarHBondContact O-CB 3.49Å | ||
| 150 | I | 92.6 | Very high | 94.9 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 5% | 0.046 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -22.3 | -174.4 | -156.1 | 167.8 | 0 | 0 | 0 | 113.4 | I21 L37 A40 L47 E152 R158 L161 | I21-I150 HydrophobicContact CG1-CB 4.3Å; I21-I150 WeakPolarHBondContact O-CB 3.49Å; I21-I150 WeakPolarHBondContact O-CG2 3.39Å; I21-I150 PolarHBondContact O-N 3.19Å; L37-I150 HydrophobicContact CD1-CB 4.42Å; L37-I150 HydrophobicContact CD1-CG2 3.43Å; L37-I150 VanDerWaalsContact CD1-CG2 3.43Å; A40-I150 HydrophobicContact CB-CG2 4.28Å; L47-I150 HydrophobicContact CD1-CD1 3.63Å; I150-E152 VanDerWaalsContact C-N 3.32Å; I150-R158 HydrophobicContact CG1-CB 4.39Å; I150-L161 HydrophobicContact CD1-CD2 4.27Å |
| 151 | S | 86.7 | Confident | 94.8 | Very high | 47 Ų | 47 | 38.3 Ų | 38.3 | 33% | 0.329 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -17.5 | 179.7 | 53.4 | 0 | 0 | 0 | 0 | 113.8 | Y36 P149 | Y36-S151 WeakPolarHBondContact CE1-OG 3.22Å; Y36-S151 WeakPolarHBondContact OH-CB 3.48Å; Y36-S151 PolarHBondContact OH-OG 2.85Å; P149-S151 PolarHBondContact O-N 3.25Å; P149-S151 VanDerWaalsContact O-N 3.14Å |
| 152 | E | 89.8 | Confident | 94.8 | Very high | 71 Ų | 71 | 40 Ų | 40 | 33% | 0.332 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -73.5 | 143.2 | 172.2 | -61.7 | -68.2 | 174 | 0 | 0 | 109.8 | Y30 I148 P149 I150 R154 | Y30-E152 PolarHBondContact OH-OE1 2.84Å; I148-E152 HydrophobicContact CG2-CB 3.71Å; I148-E152 HydrophobicContact CG2-CG 3.84Å; P149-E152 HydrophobicContact CB-CG 4.37Å; P149-E152 HydrophobicContact CG-CG 4.46Å; P149-E152 WeakPolarHBondContact O-CB 3.47Å; P149-E152 PolarHBondContact O-N 3.01Å; P149-E152 VanDerWaalsContact O-N 3.13Å; I150-E152 VanDerWaalsContact C-N 3.32Å; E152-R154 VanDerWaalsContact C-N 3.31Å; E152-R154 PolarHBondContact O-N 3.25Å |
| 153 | V | 89.2 | Confident | 94.7 | Very high | 142 Ų | 142 | 40.1 Ų | 40.1 | 86% | 0.861 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -58.9 | -43.6 | -176 | 176.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 154 | R | 92.9 | Very high | 94.7 | Very high | 198 Ų | 198 | 40.1 Ų | 40.1 | 75% | 0.747 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -100.2 | 99.5 | 173.5 | -179.4 | -176.3 | 175.9 | -175.5 | -1.7 | 108.3 | I148 E152 | I148-R154 WeakPolarHBondContact CD1-O 3.31Å; I148-R154 VanDerWaalsContact CG2-O 3.32Å; I148-R154 WeakPolarHBondContact CG2-O 3.48Å; E152-R154 VanDerWaalsContact C-N 3.31Å; E152-R154 PolarHBondContact O-N 3.25Å |
| 155 | C | 93.2 | Very high | 94.7 | Very high | 21 Ų | 21 | 40.1 Ų | 40.1 | 14% | 0.142 | 20% | 0.197 | C | C | . | . | trans | -134.7 | 150.8 | 177 | 66.7 | 0 | 0 | 0 | 0 | 111.2 | I148 P149 | I148-C155 HydrophobicContact CB-CB 4.3Å; I148-C155 HydrophobicContact CG2-CB 4.24Å; P149-C155 WeakPolarHBondContact O-CB 3.49Å | ||
| 156 | D | 95.6 | Very high | 94.7 | Very high | 9 Ų | 9 | 40.9 Ų | 40.9 | 5% | 0.048 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -88.1 | -19.8 | 169.7 | 58 | -46.8 | 0 | 0 | 0 | 112 | S146 Q147 I148 R158 E159 N160 F180 L198 | S146-D156 VanDerWaalsContact CA-OD2 3.28Å; S146-D156 WeakPolarHBondContact CA-OD2 3.28Å; S146-D156 WeakPolarHBondContact CB-OD1 3.08Å; Q147-D156 PolarHBondContact N-OD1 2.87Å; Q147-D156 VanDerWaalsContact N-OD1 3.13Å; Q147-D156 PolarHBondContact N-OD2 3.06Å; I148-D156 PolarHBondContact N-OD1 3.49Å; D156-R158 VanDerWaalsContact C-N 3.29Å; D156-R158 PolarHBondContact O-N 2.97Å; D156-E159 PolarHBondContact O-N 3.06Å; D156-N160 WeakPolarHBondContact O-CB 3.49Å; D156-N160 VanDerWaalsContact O-CG 3.27Å; D156-N160 PolarHBondContact O-N 3.09Å; D156-N160 PolarHBondContact O-ND2 3.27Å; D156-N160 PolarHBondContact OD2-ND2 2.93Å; D156-F180 WeakPolarHBondContact OD2-CZ 3.24Å; D156-L198 HydrophobicContact CB-CD2 3.94Å |
| 157 | G | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.3 | -33.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | S146 L161 | S146-G157 VanDerWaalsContact CB-CA 3.41Å; G157-L161 VanDerWaalsContact O-CB 3.24Å; G157-L161 WeakPolarHBondContact O-CB 3.14Å; G157-L161 PolarHBondContact O-N 3.45Å |
| 158 | R | 95 | Very high | 94.9 | Very high | 84 Ų | 84 | 39.3 Ų | 39.3 | 32% | 0.317 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64 | -53.9 | 177.2 | -175.8 | -172.5 | -70.8 | 124 | 4.3 | 111.2 | D44 S46 L47 I150 D156 N160 L161 V162 | D44-R158 IonicContact OD2-CZ 3.65Å; D44-R158 IonicContact OD2-NE 2.72Å; D44-R158 PolarHBondContact OD2-NE 3.17Å; D44-R158 IonicContact OD2-NH2 3.23Å; D44-R158 PolarHBondContact OD2-NH2 3.01Å; S46-R158 VanDerWaalsContact OG-CD 3.31Å; S46-R158 WeakPolarHBondContact OG-CD 3.3Å; S46-R158 PolarHBondContact OG-NE 3.28Å; L47-R158 HydrophobicContact CD1-CG 4.49Å; L47-R158 HydrophobicContact CD2-CG 4.19Å; L47-R158 HydrophobicContact CG-CG 4.42Å; I150-R158 HydrophobicContact CG1-CB 4.39Å; D156-R158 VanDerWaalsContact C-N 3.29Å; D156-R158 PolarHBondContact O-N 2.97Å; R158-N160 PolarHBondContact O-N 2.85Å; R158-L161 PolarHBondContact O-N 2.72Å; R158-V162 VanDerWaalsContact O-CG2 3.3Å; R158-V162 WeakPolarHBondContact O-CG2 3.23Å; R158-V162 PolarHBondContact O-N 2.99Å |
| 159 | E | 94.6 | Very high | 94.9 | Very high | 133 Ų | 133 | 37.4 Ų | 37.4 | 62% | 0.621 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -64.3 | -42.3 | -178.6 | -65.9 | -173.1 | 161.5 | 0 | 0 | 111.4 | D156 L161 V162 G163 | D156-E159 PolarHBondContact O-N 3.06Å; E159-L161 PolarHBondContact O-N 2.98Å; E159-V162 PolarHBondContact O-N 3.3Å; E159-G163 PolarHBondContact O-N 3.37Å |
| 160 | N | 97.4 | Very high | 95 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.027 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.6 | -44.6 | 176.6 | -75 | -14 | 0 | 0 | 0 | 112.3 | T144 G145 D156 R158 S164 F180 N181 | T144-N160 WeakPolarHBondContact OG1-CB 3.42Å; G145-N160 PolarHBondContact O-ND2 3.27Å; D156-N160 WeakPolarHBondContact O-CB 3.49Å; D156-N160 VanDerWaalsContact O-CG 3.27Å; D156-N160 PolarHBondContact O-N 3.09Å; D156-N160 PolarHBondContact O-ND2 3.27Å; D156-N160 PolarHBondContact OD2-ND2 2.93Å; R158-N160 PolarHBondContact O-N 2.85Å; N160-S164 WeakPolarHBondContact O-CB 3.22Å; N160-S164 PolarHBondContact O-N 3.48Å; N160-S164 PolarHBondContact O-OG 2.88Å; N160-F180 WeakPolarHBondContact ND2-CD2 3.34Å; N160-F180 VanDerWaalsContact ND2-CE2 3.28Å; N160-F180 WeakPolarHBondContact ND2-CE2 3.01Å; N160-F180 WeakPolarHBondContact ND2-CZ 3.46Å; N160-N181 PolarHBondContact OD1-N 2.89Å |
| 161 | L | 97.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.9 | -46.9 | 177 | 175.3 | 57.1 | 0 | 0 | 0 | 111.8 | I41 L47 V115 L117 I150 G157 R158 E159 G163 S164 L165 | I41-L161 HydrophobicContact CD1-CD2 3.9Å; I41-L161 HydrophobicContact CG1-CD2 4.35Å; L47-L161 HydrophobicContact CD1-CD2 4.3Å; L47-L161 HydrophobicContact CD2-CD2 4.24Å; L47-L161 HydrophobicContact CD2-CG 4.5Å; V115-L161 HydrophobicContact CG1-CD1 4.46Å; L117-L161 HydrophobicContact CD2-CD1 3.96Å; I150-L161 HydrophobicContact CD1-CD2 4.27Å; G157-L161 VanDerWaalsContact O-CB 3.24Å; G157-L161 WeakPolarHBondContact O-CB 3.14Å; G157-L161 PolarHBondContact O-N 3.45Å; R158-L161 PolarHBondContact O-N 2.72Å; E159-L161 PolarHBondContact O-N 2.98Å; L161-G163 VanDerWaalsContact C-N 3.35Å; L161-G163 PolarHBondContact O-N 2.89Å; L161-S164 PolarHBondContact O-N 3.29Å; L161-L165 HydrophobicContact CD1-CD1 3.93Å; L161-L165 HydrophobicContact CD1-CG 3.95Å; L161-L165 HydrophobicContact CG-CD1 4.01Å; L161-L165 HydrophobicContact CG-CG 4.47Å; L161-L165 WeakPolarHBondContact O-CG 3.41Å; L161-L165 PolarHBondContact O-N 3.4Å |
| 162 | V | 97 | Very high | 95.4 | Very high | 35 Ų | 35 | 37.7 Ų | 37.7 | 21% | 0.212 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.2 | -48.1 | 177.7 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | L47 L66 R158 E159 S164 L165 I166 | L47-V162 HydrophobicContact CD2-CG2 3.46Å; L47-V162 VanDerWaalsContact CD2-CG2 3.46Å; L66-V162 HydrophobicContact CD1-CG1 4.37Å; L66-V162 HydrophobicContact CD1-CG2 4.01Å; L66-V162 HydrophobicContact CD2-CG1 4.43Å; R158-V162 VanDerWaalsContact O-CG2 3.3Å; R158-V162 WeakPolarHBondContact O-CG2 3.23Å; R158-V162 PolarHBondContact O-N 2.99Å; E159-V162 PolarHBondContact O-N 3.3Å; V162-S164 VanDerWaalsContact C-N 3.32Å; V162-S164 PolarHBondContact O-N 3.03Å; V162-L165 PolarHBondContact O-N 3.14Å; V162-I166 HydrophobicContact CG1-CD1 3.76Å; V162-I166 HydrophobicContact CG1-CG1 4.48Å; V162-I166 VanDerWaalsContact O-CG1 3.31Å; V162-I166 WeakPolarHBondContact O-CG1 3.32Å; V162-I166 PolarHBondContact O-N 3.49Å |
| 163 | G | 97.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.9 | -44.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E159 L161 L165 I166 I167 M212 | E159-G163 PolarHBondContact O-N 3.37Å; L161-G163 VanDerWaalsContact C-N 3.35Å; L161-G163 PolarHBondContact O-N 2.89Å; G163-L165 PolarHBondContact O-N 3.1Å; G163-I166 PolarHBondContact O-N 3.23Å; G163-I167 WeakPolarHBondContact O-CG1 3.34Å; G163-I167 PolarHBondContact O-N 3.48Å; G163-M212 WeakPolarHBondContact CA-SD 3.48Å |
| 164 | S | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 179.1 | -57.6 | 0 | 0 | 0 | 0 | 112.5 | T144 N160 L161 V162 I167 A168 C179 | T144-S164 WeakPolarHBondContact CB-OG 3.49Å; T144-S164 VanDerWaalsContact CG2-OG 3.3Å; T144-S164 WeakPolarHBondContact CG2-OG 3.49Å; N160-S164 WeakPolarHBondContact O-CB 3.22Å; N160-S164 PolarHBondContact O-N 3.48Å; N160-S164 PolarHBondContact O-OG 2.88Å; L161-S164 PolarHBondContact O-N 3.29Å; V162-S164 VanDerWaalsContact C-N 3.32Å; V162-S164 PolarHBondContact O-N 3.03Å; S164-I167 PolarHBondContact O-N 2.74Å; S164-A168 VanDerWaalsContact O-CB 3.3Å; S164-A168 WeakPolarHBondContact O-CB 3.49Å; S164-A168 PolarHBondContact O-N 2.96Å; S164-C179 VanDerWaalsContact OG-CB 3.3Å; S164-C179 WeakPolarHBondContact OG-CB 3.38Å |
| 165 | L | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.6 | -40 | 176.4 | -71.9 | 171.2 | 0 | 0 | 0 | 112 | V12 V14 L66 V76 Y78 V115 L161 V162 G163 G169 | V12-L165 HydrophobicContact CB-CD2 4.37Å; V12-L165 HydrophobicContact CG1-CD2 3.96Å; V14-L165 HydrophobicContact CG2-CD2 3.85Å; L66-L165 HydrophobicContact CD2-CB 4.49Å; V76-L165 HydrophobicContact CG1-CB 4.22Å; V76-L165 HydrophobicContact CG1-CD2 4.37Å; Y78-L165 HydrophobicContact CD1-CD1 3.94Å; Y78-L165 HydrophobicContact CD1-CD2 4.03Å; Y78-L165 HydrophobicContact CD2-CD1 4.48Å; Y78-L165 HydrophobicContact CD2-CD2 4.14Å; Y78-L165 HydrophobicContact CE1-CD1 3.78Å; Y78-L165 HydrophobicContact CE2-CD1 4.33Å; Y78-L165 HydrophobicContact CG-CD1 4.28Å; Y78-L165 HydrophobicContact CG-CD2 3.73Å; V115-L165 HydrophobicContact CG2-CD2 4.24Å; L161-L165 HydrophobicContact CD1-CD1 3.93Å; L161-L165 HydrophobicContact CD1-CG 3.95Å; L161-L165 HydrophobicContact CG-CD1 4.01Å; L161-L165 HydrophobicContact CG-CG 4.47Å; L161-L165 WeakPolarHBondContact O-CG 3.41Å; L161-L165 PolarHBondContact O-N 3.4Å; V162-L165 PolarHBondContact O-N 3.14Å; G163-L165 PolarHBondContact O-N 3.1Å; L165-G169 PolarHBondContact O-N 2.67Å |
| 166 | I | 97.4 | Very high | 96.6 | Very high | 16 Ų | 16 | 18.3 Ų | 18.3 | 8% | 0.082 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61 | -50.6 | 175 | -69.9 | 162.7 | 0 | 0 | 0 | 110 | L66 V69 E72 V162 G163 G169 N170 Y171 V216 | L66-I166 HydrophobicContact CD2-CG1 4.22Å; V69-I166 HydrophobicContact CG1-CD1 3.74Å; V69-I166 HydrophobicContact CG1-CG1 4.23Å; V69-I166 HydrophobicContact CG2-CD1 4.22Å; V69-I166 HydrophobicContact CG2-CG1 4.15Å; E72-I166 HydrophobicContact CG-CG2 4.04Å; V162-I166 HydrophobicContact CG1-CD1 3.76Å; V162-I166 HydrophobicContact CG1-CG1 4.48Å; V162-I166 VanDerWaalsContact O-CG1 3.31Å; V162-I166 WeakPolarHBondContact O-CG1 3.32Å; V162-I166 PolarHBondContact O-N 3.49Å; G163-I166 PolarHBondContact O-N 3.23Å; I166-G169 PolarHBondContact O-N 3.3Å; I166-N170 WeakPolarHBondContact O-CB 3.37Å; I166-N170 PolarHBondContact O-N 2.95Å; I166-Y171 HydrophobicContact CG2-CD2 4.4Å; I166-Y171 HydrophobicContact CG2-CE2 3.84Å; I166-V216 HydrophobicContact CG2-CG2 4.28Å |
| 167 | I | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.5 | -52.1 | 179.3 | -65.5 | -60.4 | 0 | 0 | 0 | 111 | V142 G163 S164 G169 Y171 I173 L184 M212 V216 | V142-I167 HydrophobicContact CG2-CB 4.25Å; V142-I167 HydrophobicContact CG2-CG2 3.77Å; G163-I167 WeakPolarHBondContact O-CG1 3.34Å; G163-I167 PolarHBondContact O-N 3.48Å; S164-I167 PolarHBondContact O-N 2.74Å; I167-G169 VanDerWaalsContact C-N 3.26Å; I167-G169 PolarHBondContact O-N 3.2Å; I167-Y171 HydrophobicContact CD1-CD2 3.97Å; I167-Y171 HydrophobicContact CD1-CE2 4.41Å; I167-Y171 HydrophobicContact CD1-CG 4.3Å; I167-Y171 PolarHBondContact O-N 3.12Å; I167-Y171 VanDerWaalsContact O-N 3.14Å; I167-I173 HydrophobicContact CG2-CD1 4.33Å; I167-L184 HydrophobicContact CD1-CD2 4.15Å; I167-L184 HydrophobicContact CG1-CD1 4.25Å; I167-L184 HydrophobicContact CG1-CD2 4.32Å; I167-L184 HydrophobicContact CG2-CD1 3.99Å; I167-L184 HydrophobicContact CG2-CD2 3.82Å; I167-M212 HydrophobicContact CD1-CE 4.01Å; I167-M212 HydrophobicContact CG1-CE 3.45Å; I167-M212 VanDerWaalsContact CG1-CE 3.45Å; I167-V216 HydrophobicContact CD1-CG1 3.84Å |
| 168 | A | 98.2 | Very high | 96.9 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 2% | 0.017 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.9 | -32.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V12 V115 V142 S164 | V12-A168 HydrophobicContact CG1-CB 3.82Å; V12-A168 HydrophobicContact CG2-CB 3.94Å; V115-A168 HydrophobicContact CG2-CB 3.75Å; V142-A168 HydrophobicContact CG2-CB 4.11Å; S164-A168 VanDerWaalsContact O-CB 3.3Å; S164-A168 WeakPolarHBondContact O-CB 3.49Å; S164-A168 PolarHBondContact O-N 2.96Å |
| 169 | G | 96.2 | Very high | 97.1 | Very high | 7 Ų | 7 | 13.9 Ų | 13.9 | 7% | 0.072 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -90 | -30.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S10 L165 I166 I167 | S10-G169 WeakPolarHBondContact CB-O 2.93Å; S10-G169 VanDerWaalsContact OG-CA 3.23Å; S10-G169 WeakPolarHBondContact OG-CA 3.35Å; S10-G169 PolarHBondContact OG-O 2.78Å; L165-G169 PolarHBondContact O-N 2.67Å; I166-G169 PolarHBondContact O-N 3.3Å; I167-G169 VanDerWaalsContact C-N 3.26Å; I167-G169 PolarHBondContact O-N 3.2Å |
| 170 | N | 94.9 | Very high | 97.2 | Very high | 6 Ų | 6 | 7.8 Ų | 7.8 | 3% | 0.032 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -118.4 | -10.9 | -169.2 | -76.1 | -82.8 | 0 | 0 | 0 | 114.8 | E72 R74 V76 I166 R454 | E72-N170 VanDerWaalsContact OE2-CB 3.3Å; E72-N170 WeakPolarHBondContact OE2-CB 3.5Å; R74-N170 VanDerWaalsContact CB-OD1 3.31Å; R74-N170 WeakPolarHBondContact CB-OD1 3.48Å; R74-N170 PolarHBondContact N-OD1 2.93Å; V76-N170 WeakPolarHBondContact CG2-ND2 3.08Å; I166-N170 WeakPolarHBondContact O-CB 3.37Å; I166-N170 PolarHBondContact O-N 2.95Å; N170-R454 PolarHBondContact O-NH2 2.84Å |
| 171 | Y | 94.7 | Very high | 97.2 | Very high | 35 Ų | 35 | 10.6 Ų | 10.6 | 14% | 0.137 | 6% | 0.058 | C | C | . | . | trans | -124.3 | 125.7 | -173.1 | -64.9 | -93.6 | 0 | 0 | 0 | 112.3 | E72 I166 I167 I173 V216 V218 W220 | E72-Y171 PolarHBondContact OE1-OH 3.26Å; E72-Y171 VanDerWaalsContact OE1-OH 3.04Å; E72-Y171 PolarHBondContact OE2-OH 3.03Å; I166-Y171 HydrophobicContact CG2-CD2 4.4Å; I166-Y171 HydrophobicContact CG2-CE2 3.84Å; I167-Y171 HydrophobicContact CD1-CD2 3.97Å; I167-Y171 HydrophobicContact CD1-CE2 4.41Å; I167-Y171 HydrophobicContact CD1-CG 4.3Å; I167-Y171 PolarHBondContact O-N 3.12Å; I167-Y171 VanDerWaalsContact O-N 3.14Å; Y171-I173 VanDerWaalsContact C-N 3.27Å; Y171-I173 PolarHBondContact O-N 3.47Å; Y171-V216 HydrophobicContact CE1-CB 4.35Å; Y171-V216 HydrophobicContact CE1-CG1 4.25Å; Y171-V216 HydrophobicContact CE2-CB 4.26Å; Y171-V216 HydrophobicContact CE2-CG1 4.29Å; Y171-V216 HydrophobicContact CE2-CG2 4.28Å; Y171-V216 WeakPolarHBondContact OH-CB 3.27Å; Y171-V218 HydrophobicContact CD1-CG2 3.67Å; Y171-V218 HydrophobicContact CE1-CG2 3.79Å; Y171-W220 HydrophobicContact CD1-CH2 4.23Å; Y171-W220 HydrophobicContact CD1-CZ2 4.11Å | ||
| 172 | D | 93.3 | Very high | 97.1 | Very high | 23 Ų | 23 | 12.9 Ų | 12.9 | 12% | 0.123 | 7% | 0.074 | C | C | . | . | trans | -80.4 | 73 | 175 | 174.7 | 65 | 0 | 0 | 0 | 110.1 | P174 R225 S479 T482 | D172-P174 WeakPolarHBondContact O-CD 3.49Å; D172-R225 PolarHBondContact O-NH2 2.93Å; D172-R225 IonicContact OD2-CZ 3.8Å; D172-R225 IonicContact OD2-NH1 3.16Å; D172-R225 PolarHBondContact OD2-NH1 3.29Å; D172-R225 IonicContact OD2-NH2 2.98Å; D172-R225 PolarHBondContact OD2-NH2 3.03Å; D172-R225 VanDerWaalsContact OD2-NH2 3.07Å; D172-S479 VanDerWaalsContact CG-CB 3.46Å; D172-S479 VanDerWaalsContact CG-OG 3.28Å; D172-S479 WeakPolarHBondContact OD1-CB 3.43Å; D172-S479 PolarHBondContact OD1-OG 3.32Å; D172-S479 WeakPolarHBondContact OD2-CB 3.12Å; D172-S479 PolarHBondContact OD2-OG 3Å; D172-T482 PolarHBondContact OD2-OG1 2.85Å | ||
| 173 | I | 95.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | trans | -109.1 | 94.6 | 176.2 | -60.5 | 174.4 | 0 | 0 | 0 | 107.4 | P140 I167 Y171 E175 T177 L184 L209 V218 W220 V223 | P140-I173 WeakPolarHBondContact CA-O 3.07Å; P140-I173 VanDerWaalsContact CB-O 3.32Å; P140-I173 WeakPolarHBondContact CB-O 3.31Å; I167-I173 HydrophobicContact CG2-CD1 4.33Å; Y171-I173 VanDerWaalsContact C-N 3.27Å; Y171-I173 PolarHBondContact O-N 3.47Å; I173-E175 HydrophobicContact CG2-CB 4.26Å; I173-E175 HydrophobicContact CG2-CG 4.44Å; I173-E175 PolarHBondContact O-N 2.57Å; I173-T177 HydrophobicContact CG2-CG2 4.25Å; I173-L184 HydrophobicContact CD1-CD2 3.47Å; I173-L184 VanDerWaalsContact CD1-CD2 3.47Å; I173-L209 HydrophobicContact CG2-CD1 4.44Å; I173-V218 HydrophobicContact CD1-CG1 4Å; I173-V218 HydrophobicContact CD1-CG2 4.36Å; I173-W220 HydrophobicContact CG1-CH2 4.25Å; I173-W220 HydrophobicContact CG1-CZ3 4.01Å; I173-V223 HydrophobicContact CG2-CG1 4.22Å | ||
| 174 | P | 96.4 | Very high | 97.2 | Very high | 13 Ų | 13 | 12.2 Ų | 12.2 | 8% | 0.084 | 7% | 0.069 | C | C | . | . | trans | -80 | 53.1 | -170.8 | 35.3 | -39.2 | 0 | 0 | 0 | 112.5 | L137 D172 R225 | L137-P174 WeakPolarHBondContact O-CB 3.38Å; D172-P174 WeakPolarHBondContact O-CD 3.49Å; P174-R225 HydrophobicContact CG-CB 4.49Å; P174-R225 HydrophobicContact CG-CG 3.83Å | ||
| 175 | E | 98.1 | Very high | 97.2 | Very high | 9 Ų | 9 | 12.3 Ų | 12.3 | 4% | 0.042 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -133 | 156.2 | -176.2 | -64.3 | -166.5 | -127 | 0 | 0 | 111.4 | I141 I173 T177 R186 V223 F224 | I141-E175 PolarHBondContact N-O 3.38Å; I141-E175 VanDerWaalsContact N-O 3.12Å; I173-E175 HydrophobicContact CG2-CB 4.26Å; I173-E175 HydrophobicContact CG2-CG 4.44Å; I173-E175 PolarHBondContact O-N 2.57Å; E175-T177 HydrophobicContact CB-CG2 3.83Å; E175-R186 IonicContact OE1-CZ 2.93Å; E175-R186 IonicContact OE1-NE 2.93Å; E175-R186 IonicContact OE1-NH2 3.47Å; E175-R186 PolarHBondContact OE1-NH2 3.28Å; E175-R186 IonicContact OE2-CZ 3.61Å; E175-R186 IonicContact OE2-NE 3.36Å; E175-R186 PolarHBondContact OE2-NE 2.99Å; E175-R186 IonicContact OE2-NH2 3.38Å; E175-R186 PolarHBondContact OE2-NH2 2.83Å; E175-R186 VanDerWaalsContact OE2-NH2 3.16Å; E175-V223 WeakPolarHBondContact OE1-CA 3.37Å; E175-F224 HydrophobicContact CG-CB 4.29Å; E175-F224 WeakPolarHBondContact CG-O 3.39Å; E175-F224 PolarHBondContact OE1-N 2.92Å |
| 176 | V | 98.8 | Very high | 97.2 | Very high | 3 Ų | 3 | 13.3 Ų | 13.3 | 2% | 0.018 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 115.5 | 161.7 | -176.2 | 0 | 0 | 0 | 0 | 108 | A127 L130 L137 I141 L143 G187 | A127-V176 HydrophobicContact CB-CG1 4.34Å; A127-V176 WeakPolarHBondContact O-CG1 3.27Å; L130-V176 HydrophobicContact CB-CG1 4.14Å; L130-V176 HydrophobicContact CB-CG2 4.18Å; L137-V176 HydrophobicContact CD2-CG2 4.02Å; I141-V176 HydrophobicContact CB-CG2 4.14Å; I141-V176 HydrophobicContact CD1-CG2 4.19Å; I141-V176 HydrophobicContact CG2-CG1 4.4Å; I141-V176 HydrophobicContact CG2-CG2 4.44Å; I141-V176 CarbonylContact O-C 3.55Å; I141-V176 WeakPolarHBondContact O-CA 3.44Å; L143-V176 HydrophobicContact CD1-CG1 3.29Å; V176-G187 WeakPolarHBondContact O-CA 3.32Å; V176-G187 PolarHBondContact O-N 3.4Å |
| 177 | T | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 164.8 | -171.9 | 56.2 | 0 | 0 | 0 | 0 | 111.4 | I141 L143 I173 E175 L184 L185 L209 | I141-T177 PolarHBondContact O-N 2.91Å; I141-T177 PolarHBondContact O-OG1 3.47Å; L143-T177 WeakPolarHBondContact CD1-O 3.22Å; L143-T177 PolarHBondContact N-O 2.72Å; I173-T177 HydrophobicContact CG2-CG2 4.25Å; E175-T177 HydrophobicContact CB-CG2 3.83Å; T177-L184 HydrophobicContact CG2-CD1 4.34Å; T177-L184 HydrophobicContact CG2-CD2 4.47Å; T177-L184 HydrophobicContact CG2-CG 4.3Å; T177-L184 WeakPolarHBondContact OG1-CD1 3.42Å; T177-L185 CarbonylContact C-O 3.21Å; T177-L185 WeakPolarHBondContact CA-O 3.48Å; T177-L185 VanDerWaalsContact CB-O 3.3Å; T177-L185 WeakPolarHBondContact CB-O 3.21Å; T177-L209 HydrophobicContact CG2-CD1 3.83Å |
| 178 | I | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 124.3 | 171.1 | -63.6 | 167.3 | 0 | 0 | 0 | 108 | L123 A127 L143 F180 L184 L185 T190 | L123-I178 HydrophobicContact CD2-CB 4.15Å; L123-I178 HydrophobicContact CD2-CD1 3.25Å; L123-I178 HydrophobicContact CD2-CG1 3.39Å; L123-I178 HydrophobicContact CD2-CG2 3.66Å; A127-I178 HydrophobicContact CB-CD1 3.74Å; A127-I178 HydrophobicContact CB-CG1 3.87Å; L143-I178 HydrophobicContact CB-CG1 4.21Å; L143-I178 WeakPolarHBondContact O-CA 3.44Å; I178-F180 HydrophobicContact CG2-CB 4.32Å; I178-L184 WeakPolarHBondContact O-CA 3.23Å; I178-L185 PolarHBondContact N-O 3.36Å; I178-L185 PolarHBondContact O-N 3.39Å; I178-T190 HydrophobicContact CD1-CG2 3.73Å; I178-T190 WeakPolarHBondContact CD1-OG1 3.35Å |
| 179 | C | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.007 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 113.8 | 172.7 | 174.7 | 0 | 0 | 0 | 0 | 109.4 | V142 L143 T144 S164 L183 L184 M212 | V142-C179 HydrophobicContact CG1-CB 3.46Å; V142-C179 VanDerWaalsContact CG1-CB 3.46Å; L143-C179 PolarHBondContact O-N 2.69Å; T144-C179 WeakPolarHBondContact CB-O 3.46Å; T144-C179 PolarHBondContact OG1-O 2.74Å; S164-C179 VanDerWaalsContact OG-CB 3.3Å; S164-C179 WeakPolarHBondContact OG-CB 3.38Å; C179-L183 WeakPolarHBondContact CA-O 3.3Å; C179-L184 HydrophobicContact CB-CD1 4.04Å; C179-M212 HydrophobicContact CB-CE 4.48Å; C179-M212 WeakPolarHBondContact SG-CE 3.12Å |
| 180 | F | 97.6 | Very high | 97.4 | Very high | 5 Ų | 5 | 12.5 Ų | 12.5 | 2% | 0.022 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 136.9 | -178.7 | -146.2 | -91.2 | 0 | 0 | 0 | 110.5 | T120 G145 Q147 D156 N160 I178 S182 L183 L198 A200 F201 | T120-F180 HydrophobicContact CG2-CE2 4.05Å; T120-F180 HydrophobicContact CG2-CZ 4.23Å; G145-F180 WeakPolarHBondContact O-CE2 3.32Å; Q147-F180 HydrophobicContact CG-CE1 4.43Å; Q147-F180 HydrophobicContact CG-CZ 4.13Å; D156-F180 WeakPolarHBondContact OD2-CZ 3.24Å; N160-F180 WeakPolarHBondContact ND2-CD2 3.34Å; N160-F180 VanDerWaalsContact ND2-CE2 3.28Å; N160-F180 WeakPolarHBondContact ND2-CE2 3.01Å; N160-F180 WeakPolarHBondContact ND2-CZ 3.46Å; I178-F180 HydrophobicContact CG2-CB 4.32Å; F180-S182 VanDerWaalsContact C-N 3.31Å; F180-S182 PolarHBondContact O-N 2.97Å; F180-L183 PolarHBondContact N-O 2.7Å; F180-L183 WeakPolarHBondContact O-CB 3.23Å; F180-L183 PolarHBondContact O-N 3.46Å; F180-L198 WeakPolarHBondContact CD1-O 3.39Å; F180-L198 WeakPolarHBondContact CE1-O 3.34Å; F180-A200 HydrophobicContact CD1-CB 4.46Å; F180-A200 HydrophobicContact CE1-CB 3.9Å; F180-A200 HydrophobicContact CZ-CB 4.36Å; F180-F201 HydrophobicContact CB-CD2 3.97Å; F180-F201 AromaticContact CD1-CD2 3.87Å; F180-F201 HydrophobicContact CD1-CD2 3.87Å; F180-F201 HydrophobicContact CD1-CE2 4.29Å; F180-F201 AromaticContact CD2-CD2 3.81Å; F180-F201 HydrophobicContact CD2-CD2 3.81Å; F180-F201 AromaticContact CD2-CE2 3.63Å; F180-F201 HydrophobicContact CD2-CE2 3.63Å; F180-F201 HydrophobicContact CE1-CD2 4.3Å; F180-F201 HydrophobicContact CE1-CE2 4.36Å; F180-F201 HydrophobicContact CE2-CD2 4.24Å; F180-F201 AromaticContact CE2-CE2 3.71Å; F180-F201 HydrophobicContact CE2-CE2 3.71Å; F180-F201 AromaticContact CG-CD2 3.61Å; F180-F201 HydrophobicContact CG-CD2 3.61Å; F180-F201 AromaticContact CG-CE2 3.94Å; F180-F201 HydrophobicContact CG-CE2 3.94Å; F180-F201 HydrophobicContact CZ-CD2 4.48Å; F180-F201 HydrophobicContact CZ-CE2 4.1Å |
| 181 | N | 96.3 | Very high | 97.5 | Very high | 63 Ų | 63 | 13.4 Ų | 13.4 | 34% | 0.337 | 7% | 0.072 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 48.6 | 175.6 | -169.7 | 39.3 | 0 | 0 | 0 | 113 | N160 L183 L198 S199 | N160-N181 PolarHBondContact OD1-N 2.89Å; N181-L183 PolarHBondContact O-N 2.97Å; N181-L183 VanDerWaalsContact O-N 3.1Å; N181-L198 WeakPolarHBondContact CB-O 3.5Å; N181-S199 WeakPolarHBondContact ND2-CB 3.49Å; N181-S199 PolarHBondContact ND2-OG 3Å |
| 182 | S | 96.3 | Very high | 97.7 | Very high | 49 Ų | 49 | 14 Ų | 14 | 34% | 0.343 | 8% | 0.076 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 15.6 | -179.4 | -59.8 | 0 | 0 | 0 | 0 | 115.5 | F180 M212 | F180-S182 VanDerWaalsContact C-N 3.31Å; F180-S182 PolarHBondContact O-N 2.97Å; S182-M212 PolarHBondContact O-N 3.49Å |
| 183 | L | 97.7 | Very high | 97.6 | Very high | 25 Ų | 25 | 17.5 Ų | 17.5 | 13% | 0.131 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 142.2 | 173.4 | -55 | -178.9 | 0 | 0 | 0 | 110.6 | C179 F180 N181 L185 P208 R211 | C179-L183 WeakPolarHBondContact CA-O 3.3Å; F180-L183 PolarHBondContact N-O 2.7Å; F180-L183 WeakPolarHBondContact O-CB 3.23Å; F180-L183 PolarHBondContact O-N 3.46Å; N181-L183 PolarHBondContact O-N 2.97Å; N181-L183 VanDerWaalsContact O-N 3.1Å; L183-L185 HydrophobicContact CB-CD2 4.09Å; L183-L185 HydrophobicContact CB-CG 4.38Å; L183-L185 HydrophobicContact CD1-CD2 4.45Å; L183-P208 HydrophobicContact CD1-CG 4.41Å; L183-P208 HydrophobicContact CD2-CG 4.42Å; L183-R211 HydrophobicContact CD2-CG 3.81Å; L183-R211 VanDerWaalsContact CD2-NH1 3.26Å |
| 184 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 115.7 | 164.5 | -171.1 | 71.5 | 0 | 0 | 0 | 108.8 | V142 I167 I173 T177 I178 C179 P208 L209 A210 | V142-L184 HydrophobicContact CG1-CD1 4.28Å; I167-L184 HydrophobicContact CD1-CD2 4.15Å; I167-L184 HydrophobicContact CG1-CD1 4.25Å; I167-L184 HydrophobicContact CG1-CD2 4.32Å; I167-L184 HydrophobicContact CG2-CD1 3.99Å; I167-L184 HydrophobicContact CG2-CD2 3.82Å; I173-L184 HydrophobicContact CD1-CD2 3.47Å; I173-L184 VanDerWaalsContact CD1-CD2 3.47Å; T177-L184 HydrophobicContact CG2-CD1 4.34Å; T177-L184 HydrophobicContact CG2-CD2 4.47Å; T177-L184 HydrophobicContact CG2-CG 4.3Å; T177-L184 WeakPolarHBondContact OG1-CD1 3.42Å; I178-L184 WeakPolarHBondContact O-CA 3.23Å; C179-L184 HydrophobicContact CB-CD1 4.04Å; L184-P208 CarbonylContact O-C 3.59Å; L184-L209 HydrophobicContact CD2-CB 4.33Å; L184-L209 PolarHBondContact O-N 2.89Å; L184-A210 HydrophobicContact CB-CB 3.8Å; L184-A210 HydrophobicContact CD2-CB 4.12Å; L184-A210 PolarHBondContact N-O 3.01Å; L184-A210 PolarHBondContact O-N 2.97Å |
| 185 | L | 98.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 144.8 | -177.8 | -52.5 | 178.6 | 0 | 0 | 0 | 110.1 | T177 I178 L183 G187 T190 F201 P208 | T177-L185 CarbonylContact C-O 3.21Å; T177-L185 WeakPolarHBondContact CA-O 3.48Å; T177-L185 VanDerWaalsContact CB-O 3.3Å; T177-L185 WeakPolarHBondContact CB-O 3.21Å; I178-L185 PolarHBondContact N-O 3.36Å; I178-L185 PolarHBondContact O-N 3.39Å; L183-L185 HydrophobicContact CB-CD2 4.09Å; L183-L185 HydrophobicContact CB-CG 4.38Å; L183-L185 HydrophobicContact CD1-CD2 4.45Å; L185-G187 PolarHBondContact O-N 2.72Å; L185-T190 HydrophobicContact CB-CG2 3.47Å; L185-T190 VanDerWaalsContact CB-CG2 3.47Å; L185-T190 HydrophobicContact CD1-CG2 3.78Å; L185-T190 HydrophobicContact CG-CG2 4.27Å; L185-F201 HydrophobicContact CD1-CB 4.05Å; L185-P208 HydrophobicContact CD2-CB 3.82Å; L185-P208 HydrophobicContact CD2-CG 3.75Å |
| 186 | R | 98.6 | Very high | 96.8 | Very high | 20 Ų | 20 | 28 Ų | 28 | 8% | 0.075 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 121.2 | 168.8 | 170.6 | 173.5 | -69.4 | 141.9 | 14.5 | 108.6 | E175 N188 R189 T190 L209 A222 F224 G381 | E175-R186 IonicContact OE1-CZ 2.93Å; E175-R186 IonicContact OE1-NE 2.93Å; E175-R186 IonicContact OE1-NH2 3.47Å; E175-R186 PolarHBondContact OE1-NH2 3.28Å; E175-R186 IonicContact OE2-CZ 3.61Å; E175-R186 IonicContact OE2-NE 3.36Å; E175-R186 PolarHBondContact OE2-NE 2.99Å; E175-R186 IonicContact OE2-NH2 3.38Å; E175-R186 PolarHBondContact OE2-NH2 2.83Å; E175-R186 VanDerWaalsContact OE2-NH2 3.16Å; R186-N188 WeakPolarHBondContact CD-OD1 3.04Å; R186-N188 WeakPolarHBondContact CG-OD1 3.37Å; R186-N188 PolarHBondContact O-N 3.01Å; R186-R189 HydrophobicContact CB-CB 4.18Å; R186-R189 HydrophobicContact CB-CG 4.16Å; R186-R189 HydrophobicContact CG-CB 4.27Å; R186-R189 HydrophobicContact CG-CG 3.89Å; R186-R189 WeakPolarHBondContact O-CB 3.41Å; R186-R189 PolarHBondContact O-N 2.83Å; R186-T190 WeakPolarHBondContact O-CG2 3.31Å; R186-L209 HydrophobicContact CB-CD1 4.1Å; R186-L209 HydrophobicContact CB-CG 4.36Å; R186-A222 PolarHBondContact NH2-O 2.66Å; R186-F224 VanDerWaalsContact NH2-CB 3.34Å; R186-F224 VanDerWaalsContact NH2-N 3.18Å; R186-G381 WeakPolarHBondContact CD-O 3.38Å; R186-G381 PolarHBondContact NH1-O 3.01Å |
| 187 | G | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -56.1 | -47.7 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V176 L185 R189 T190 | V176-G187 WeakPolarHBondContact O-CA 3.32Å; V176-G187 PolarHBondContact O-N 3.4Å; L185-G187 PolarHBondContact O-N 2.72Å; G187-R189 PolarHBondContact O-N 2.95Å; G187-R189 VanDerWaalsContact O-N 3.12Å; G187-T190 PolarHBondContact O-N 3.32Å; G187-T190 PolarHBondContact O-OG1 2.98Å |
| 188 | N | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -76.2 | 11.5 | 178.3 | 68.6 | 20.7 | 0 | 0 | 0 | 115 | S131 R186 A352 R380 E382 | S131-N188 PolarHBondContact OG-ND2 3.48Å; R186-N188 WeakPolarHBondContact CD-OD1 3.04Å; R186-N188 WeakPolarHBondContact CG-OD1 3.37Å; R186-N188 PolarHBondContact O-N 3.01Å; N188-A352 HydrophobicContact CB-CB 4.34Å; N188-A352 VanDerWaalsContact O-CB 3.23Å; N188-A352 WeakPolarHBondContact O-CB 3.44Å; N188-R380 VanDerWaalsContact ND2-CB 3.32Å; N188-R380 WeakPolarHBondContact ND2-CB 3.35Å; N188-R380 PolarHBondContact ND2-O 2.62Å; N188-E382 HydrophobicContact CB-CB 4.04Å; N188-E382 WeakPolarHBondContact OD1-CA 3.26Å |
| 189 | R | 98.4 | Very high | 95.9 | Very high | 9 Ų | 9 | 34.2 Ų | 34.2 | 3% | 0.034 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -115.9 | 1.6 | 171.5 | -71.7 | -67 | -162.7 | 149.6 | 4.7 | 112.5 | R186 G187 S203 P204 V206 D347 G381 E382 T384 | R186-R189 HydrophobicContact CB-CB 4.18Å; R186-R189 HydrophobicContact CB-CG 4.16Å; R186-R189 HydrophobicContact CG-CB 4.27Å; R186-R189 HydrophobicContact CG-CG 3.89Å; R186-R189 WeakPolarHBondContact O-CB 3.41Å; R186-R189 PolarHBondContact O-N 2.83Å; G187-R189 PolarHBondContact O-N 2.95Å; G187-R189 VanDerWaalsContact O-N 3.12Å; R189-S203 WeakPolarHBondContact O-CA 3.42Å; R189-P204 WeakPolarHBondContact O-CD 3.46Å; R189-V206 HydrophobicContact CG-CB 4.41Å; R189-V206 HydrophobicContact CG-CG2 4.31Å; R189-D347 IonicContact CZ-OD2 3.6Å; R189-D347 IonicContact NH1-OD1 3.84Å; R189-D347 PolarHBondContact NH1-OD1 2.94Å; R189-D347 IonicContact NH1-OD2 2.69Å; R189-D347 PolarHBondContact NH1-OD2 3.06Å; R189-D347 IonicContact NH2-OD2 3.91Å; R189-G381 PolarHBondContact NE-O 3.3Å; R189-G381 PolarHBondContact NH2-O 2.93Å; R189-E382 WeakPolarHBondContact CD-O 3.33Å; R189-E382 PolarHBondContact NE-O 3.42Å; R189-E382 PolarHBondContact NH1-O 3.13Å; R189-T384 PolarHBondContact NH2-OG1 2.8Å |
| 190 | T | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -96.7 | 156.3 | -173.8 | 63.1 | 0 | 0 | 0 | 0 | 113.4 | C124 I178 L185 R186 G187 E202 | C124-T190 PolarHBondContact SG-OG1 3.38Å; I178-T190 HydrophobicContact CD1-CG2 3.73Å; I178-T190 WeakPolarHBondContact CD1-OG1 3.35Å; L185-T190 HydrophobicContact CB-CG2 3.47Å; L185-T190 VanDerWaalsContact CB-CG2 3.47Å; L185-T190 HydrophobicContact CD1-CG2 3.78Å; L185-T190 HydrophobicContact CG-CG2 4.27Å; R186-T190 WeakPolarHBondContact O-CG2 3.31Å; G187-T190 PolarHBondContact O-N 3.32Å; G187-T190 PolarHBondContact O-OG1 2.98Å; T190-E202 VanDerWaalsContact CA-O 3.26Å; T190-E202 WeakPolarHBondContact CA-O 3.46Å | ||
| 191 | T | 97.9 | Very high | 95.8 | Very high | 25 Ų | 25 | 34.2 Ų | 34.2 | 15% | 0.153 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 151.4 | 163.3 | -171.4 | 0 | 0 | 0 | 0 | 109.6 | C124 F193 E202 L323 E351 | C124-T191 VanDerWaalsContact SG-C 3.58Å; C124-T191 VanDerWaalsContact SG-CA 3.58Å; T191-F193 PolarHBondContact O-N 3.28Å; T191-E202 PolarHBondContact N-O 2.69Å; T191-E202 PolarHBondContact O-N 3.35Å; T191-E202 VanDerWaalsContact O-N 3.08Å; T191-L323 HydrophobicContact CG2-CD1 3.36Å; T191-E351 WeakPolarHBondContact CA-OE1 3.41Å; T191-E351 VanDerWaalsContact CB-OE1 3.23Å; T191-E351 WeakPolarHBondContact CB-OE1 3.21Å; T191-E351 PolarHBondContact OG1-OE1 3.18Å |
| 192 | K | 97.3 | Very high | 95.7 | Very high | 48 Ų | 48 | 34.7 Ų | 34.7 | 21% | 0.209 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 111.5 | 173.1 | -173.5 | 172.9 | 178 | 178.3 | 0 | 108.1 | T120 D121 D194 A200 F201 | T120-K192 WeakPolarHBondContact O-CD 3.31Å; T120-K192 PolarHBondContact OG1-NZ 2.93Å; D121-K192 IonicContact OD1-NZ 3.4Å; D121-K192 PolarHBondContact OD1-NZ 2.92Å; K192-D194 WeakPolarHBondContact CE-O 3.3Å; K192-A200 WeakPolarHBondContact CA-O 3.44Å; K192-F201 HydrophobicContact CB-CD1 4.02Å; K192-F201 HydrophobicContact CB-CE1 3.85Å; K192-F201 HydrophobicContact CD-CE1 4.38Å; K192-F201 HydrophobicContact CG-CD1 4.42Å; K192-F201 HydrophobicContact CG-CE1 4.13Å |
| 193 | F | 92.2 | Very high | 95.8 | Very high | 95 Ų | 95 | 32.6 Ų | 32.6 | 42% | 0.417 | 19% | 0.191 | S | C | . | . | trans | -103.5 | -19.2 | -174.5 | 84.9 | -86.2 | 0 | 0 | 0 | 113.4 | T191 S199 A200 F201 E202 | T191-F193 PolarHBondContact O-N 3.28Å; F193-S199 WeakPolarHBondContact CE1-O 3.3Å; F193-S199 WeakPolarHBondContact CZ-O 3.24Å; F193-A200 WeakPolarHBondContact CD1-O 3.25Å; F193-A200 PolarHBondContact N-O 2.91Å; F193-F201 VanDerWaalsContact CD1-C 3.49Å; F193-E202 HydrophobicContact CB-CB 4.41Å; F193-E202 HydrophobicContact CD1-CB 3.51Å; F193-E202 HydrophobicContact CE1-CB 3.98Å; F193-E202 HydrophobicContact CG-CB 4.12Å | ||
| 194 | D | 92.9 | Very high | 95.6 | Very high | 57 Ų | 57 | 32.1 Ų | 32.1 | 31% | 0.305 | 19% | 0.189 | S | C | . | . | trans | -131.4 | 136.7 | 179.1 | -164.6 | -31.1 | 0 | 0 | 0 | 110.2 | K192 A196 G197 A200 | K192-D194 WeakPolarHBondContact CE-O 3.3Å; D194-A196 PolarHBondContact OD1-N 3.49Å; D194-G197 VanDerWaalsContact CG-N 3.32Å; D194-G197 PolarHBondContact OD1-N 3.06Å; D194-A200 PolarHBondContact N-O 2.88Å | ||
| 195 | C | 90.4 | Very high | 95.5 | Very high | 108 Ų | 108 | 34.1 Ų | 34.1 | 73% | 0.73 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -91.1 | -21.8 | 179.5 | 65.2 | 0 | 0 | 0 | 0 | 113.5 | Q147 | Q147-C195 PolarHBondContact NE2-O 3.14Š|
| 196 | A | 89.6 | Confident | 95.2 | Very high | 79 Ų | 79 | 35.4 Ų | 35.4 | 65% | 0.653 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -120.1 | -31.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D194 | D194-A196 PolarHBondContact OD1-N 3.49Š|
| 197 | G | 91.8 | Very high | 95 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -64.1 | 145.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q147 D194 S199 | Q147-G197 PolarHBondContact NE2-O 3.35Å; D194-G197 VanDerWaalsContact CG-N 3.32Å; D194-G197 PolarHBondContact OD1-N 3.06Å; G197-S199 PolarHBondContact O-N 2.7Å |
| 198 | L | 92.7 | Very high | 95 | Very high | 65 Ų | 65 | 39.3 Ų | 39.3 | 34% | 0.34 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -69.6 | -18 | 170.8 | -58.9 | -174.9 | 0 | 0 | 0 | 112.1 | Q147 I148 D156 F180 N181 A200 | Q147-L198 HydrophobicContact CB-CD2 4.18Å; I148-L198 HydrophobicContact CD1-CD2 4.38Å; D156-L198 HydrophobicContact CB-CD2 3.94Å; F180-L198 WeakPolarHBondContact CD1-O 3.39Å; F180-L198 WeakPolarHBondContact CE1-O 3.34Å; N181-L198 WeakPolarHBondContact CB-O 3.5Å; L198-A200 VanDerWaalsContact C-N 3.34Å; L198-A200 PolarHBondContact O-N 2.89Å |
| 199 | S | 93.7 | Very high | 94.9 | Very high | 45 Ų | 45 | 39.3 Ų | 39.3 | 32% | 0.315 | 23% | 0.228 | S | C | . | . | trans | -91.3 | 70.7 | 165.9 | -166.3 | 0 | 0 | 0 | 0 | 108.6 | N181 F193 G197 | N181-S199 WeakPolarHBondContact ND2-CB 3.49Å; N181-S199 PolarHBondContact ND2-OG 3Å; F193-S199 WeakPolarHBondContact CE1-O 3.3Å; F193-S199 WeakPolarHBondContact CZ-O 3.24Å; G197-S199 PolarHBondContact O-N 2.7Å | ||
| 200 | A | 95.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -78.5 | -22.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q147 F180 K192 F193 D194 L198 | Q147-A200 HydrophobicContact CG-CB 4.34Å; F180-A200 HydrophobicContact CD1-CB 4.46Å; F180-A200 HydrophobicContact CE1-CB 3.9Å; F180-A200 HydrophobicContact CZ-CB 4.36Å; K192-A200 WeakPolarHBondContact CA-O 3.44Å; F193-A200 WeakPolarHBondContact CD1-O 3.25Å; F193-A200 PolarHBondContact N-O 2.91Å; D194-A200 PolarHBondContact N-O 2.88Å; L198-A200 VanDerWaalsContact C-N 3.34Å; L198-A200 PolarHBondContact O-N 2.89Å | ||
| 201 | F | 97.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 145.8 | -171.2 | -60.5 | -79.6 | 0 | 0 | 0 | 112.3 | T120 L123 C124 F180 L185 K192 F193 | T120-F201 HydrophobicContact CG2-CE2 4.1Å; T120-F201 HydrophobicContact CG2-CZ 4.09Å; L123-F201 HydrophobicContact CB-CE1 4.01Å; L123-F201 HydrophobicContact CB-CZ 3.82Å; L123-F201 HydrophobicContact CD1-CE2 4.26Å; L123-F201 HydrophobicContact CD1-CZ 3.89Å; L123-F201 HydrophobicContact CD2-CE1 4.25Å; L123-F201 HydrophobicContact CD2-CZ 4.13Å; L123-F201 HydrophobicContact CG-CZ 4.18Å; C124-F201 WeakPolarHBondContact SG-CD1 3.3Å; C124-F201 VanDerWaalsContact SG-CE1 3.53Å; F180-F201 HydrophobicContact CB-CD2 3.97Å; F180-F201 AromaticContact CD1-CD2 3.87Å; F180-F201 HydrophobicContact CD1-CD2 3.87Å; F180-F201 HydrophobicContact CD1-CE2 4.29Å; F180-F201 AromaticContact CD2-CD2 3.81Å; F180-F201 HydrophobicContact CD2-CD2 3.81Å; F180-F201 AromaticContact CD2-CE2 3.63Å; F180-F201 HydrophobicContact CD2-CE2 3.63Å; F180-F201 HydrophobicContact CE1-CD2 4.3Å; F180-F201 HydrophobicContact CE1-CE2 4.36Å; F180-F201 HydrophobicContact CE2-CD2 4.24Å; F180-F201 AromaticContact CE2-CE2 3.71Å; F180-F201 HydrophobicContact CE2-CE2 3.71Å; F180-F201 AromaticContact CG-CD2 3.61Å; F180-F201 HydrophobicContact CG-CD2 3.61Å; F180-F201 AromaticContact CG-CE2 3.94Å; F180-F201 HydrophobicContact CG-CE2 3.94Å; F180-F201 HydrophobicContact CZ-CD2 4.48Å; F180-F201 HydrophobicContact CZ-CE2 4.1Å; L185-F201 HydrophobicContact CD1-CB 4.05Å; K192-F201 HydrophobicContact CB-CD1 4.02Å; K192-F201 HydrophobicContact CB-CE1 3.85Å; K192-F201 HydrophobicContact CD-CE1 4.38Å; K192-F201 HydrophobicContact CG-CD1 4.42Å; K192-F201 HydrophobicContact CG-CE1 4.13Å; F193-F201 VanDerWaalsContact CD1-C 3.49Å |
| 202 | E | 95.3 | Very high | 94.6 | Very high | 74 Ų | 74 | 46 Ų | 46 | 35% | 0.346 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 152 | 177 | -177.3 | 58.7 | -85.8 | 0 | 0 | 110.2 | T190 T191 F193 | T190-E202 VanDerWaalsContact CA-O 3.26Å; T190-E202 WeakPolarHBondContact CA-O 3.46Å; T191-E202 PolarHBondContact N-O 2.69Å; T191-E202 PolarHBondContact O-N 3.35Å; T191-E202 VanDerWaalsContact O-N 3.08Å; F193-E202 HydrophobicContact CB-CB 4.41Å; F193-E202 HydrophobicContact CD1-CB 3.51Å; F193-E202 HydrophobicContact CE1-CB 3.98Å; F193-E202 HydrophobicContact CG-CB 4.12Å |
| 203 | S | 97 | Very high | 94.3 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 4% | 0.035 | 27% | 0.269 | C | S | . | . | trans | -113.4 | 85.9 | 169.4 | 173.2 | 0 | 0 | 0 | 0 | 108.6 | R189 N205 V206 | R189-S203 WeakPolarHBondContact O-CA 3.42Å; S203-N205 VanDerWaalsContact C-N 3.31Å; S203-N205 PolarHBondContact O-N 3.18Å; S203-V206 VanDerWaalsContact CB-O 3.3Å; S203-V206 WeakPolarHBondContact CB-O 3.45Å; S203-V206 PolarHBondContact O-N 3.48Å; S203-V206 PolarHBondContact OG-O 3.03Å | ||
| 204 | P | 95.3 | Very high | 94.1 | Very high | 15 Ų | 15 | 49.7 Ų | 49.7 | 10% | 0.097 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -26.6 | -160.4 | 24.9 | -35.6 | 0 | 0 | 0 | 114.8 | R189 L323 R324 T349 | R189-P204 WeakPolarHBondContact O-CD 3.46Å; P204-L323 HydrophobicContact CB-CD1 4.08Å; P204-L323 HydrophobicContact CB-CG 3.97Å; P204-L323 WeakPolarHBondContact CB-O 3.37Å; P204-L323 HydrophobicContact CG-CD1 4.02Å; P204-L323 HydrophobicContact CG-CG 4.44Å; P204-L323 WeakPolarHBondContact CG-O 3.23Å; P204-R324 HydrophobicContact CB-CB 4.33Å; P204-R324 WeakPolarHBondContact O-CD 3.49Å; P204-R324 WeakPolarHBondContact O-CG 3.34Å; P204-T349 HydrophobicContact CG-CG2 4.46Å |
| 205 | N | 94.6 | Very high | 93.9 | Very high | 41 Ų | 41 | 53.7 Ų | 53.7 | 22% | 0.219 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -3.9 | -173.7 | -64.5 | -39.3 | 0 | 0 | 0 | 113.7 | S203 G325 D347 | S203-N205 VanDerWaalsContact C-N 3.31Å; S203-N205 PolarHBondContact O-N 3.18Å; N205-G325 PolarHBondContact ND2-O 2.8Å; N205-G325 PolarHBondContact OD1-N 2.9Å; N205-G325 PolarHBondContact OD1-O 3.46Å; N205-D347 HydrophobicContact CB-CB 4.12Å; N205-D347 PolarHBondContact ND2-O 2.93Å |
| 206 | V | 93.7 | Very high | 94 | Very high | 30 Ų | 30 | 49.8 Ų | 49.8 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -143.9 | 139.5 | 179.2 | 175.4 | 0 | 0 | 0 | 0 | 110.1 | R189 S203 | R189-V206 HydrophobicContact CG-CB 4.41Å; R189-V206 HydrophobicContact CG-CG2 4.31Å; S203-V206 VanDerWaalsContact CB-O 3.3Å; S203-V206 WeakPolarHBondContact CB-O 3.45Å; S203-V206 PolarHBondContact O-N 3.48Å; S203-V206 PolarHBondContact OG-O 3.03Å |
| 207 | Q | 94.3 | Very high | 94.2 | Very high | 88 Ų | 88 | 49.4 Ų | 49.4 | 41% | 0.411 | 27% | 0.267 | S | S | . | . | trans | -62.2 | 154 | 176.1 | 64.7 | -171.3 | -1.2 | 0 | 0 | 113.1 | K219 | Q207-K219 VanDerWaalsContact CD-CD 3.49Å; Q207-K219 HydrophobicContact CG-CD 4.13Å; Q207-K219 VanDerWaalsContact NE2-CD 3.26Å | ||
| 208 | P | 97.1 | Very high | 94.3 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 8% | 0.084 | 26% | 0.258 | C | S | . | . | trans | -53.4 | 141.9 | 169.7 | -26.6 | 34.6 | 0 | 0 | 0 | 112.6 | L183 L184 L185 | L183-P208 HydrophobicContact CD1-CG 4.41Å; L183-P208 HydrophobicContact CD2-CG 4.42Å; L184-P208 CarbonylContact O-C 3.59Å; L185-P208 HydrophobicContact CD2-CB 3.82Å; L185-P208 HydrophobicContact CD2-CG 3.75Å | ||
| 209 | L | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -70.4 | -34.7 | 176.2 | -64.9 | 179 | 0 | 0 | 0 | 111.5 | I173 T177 L184 R186 V218 K219 A222 | I173-L209 HydrophobicContact CG2-CD1 4.44Å; T177-L209 HydrophobicContact CG2-CD1 3.83Å; L184-L209 HydrophobicContact CD2-CB 4.33Å; L184-L209 PolarHBondContact O-N 2.89Å; R186-L209 HydrophobicContact CB-CD1 4.1Å; R186-L209 HydrophobicContact CB-CG 4.36Å; L209-V218 WeakPolarHBondContact O-CA 3.47Å; L209-K219 PolarHBondContact O-N 3.23Å; L209-A222 HydrophobicContact CD2-CB 4.16Å |
| 210 | A | 97.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 156.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L184 V216 N217 V218 | L184-A210 HydrophobicContact CB-CB 3.8Å; L184-A210 HydrophobicContact CD2-CB 4.12Å; L184-A210 PolarHBondContact N-O 3.01Å; L184-A210 PolarHBondContact O-N 2.97Å; A210-V216 HydrophobicContact CB-CG1 4.23Å; A210-N217 WeakPolarHBondContact CA-O 3.43Å; A210-V218 HydrophobicContact CB-CB 4.38Å; A210-V218 HydrophobicContact CB-CG2 3.96Å |
| 211 | R | 97 | Very high | 93.3 | Very high | 139 Ų | 139 | 57.4 Ų | 57.4 | 53% | 0.525 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 129.9 | 167 | -64.7 | -172.4 | -175.3 | -95 | -0.1 | 109.6 | L183 G213 N217 | L183-R211 HydrophobicContact CD2-CG 3.81Å; L183-R211 VanDerWaalsContact CD2-NH1 3.26Å; R211-G213 PolarHBondContact O-N 3.44Å; R211-N217 PolarHBondContact N-O 2.84Å; R211-N217 PolarHBondContact O-N 3.47Å |
| 212 | M | 93.6 | Very high | 93 | Very high | 35 Ų | 35 | 58.3 Ų | 58.3 | 17% | 0.172 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 93.3 | 176.2 | -55.9 | -179.4 | -173.9 | 0 | 0 | 108.6 | G163 I167 C179 S182 V216 | G163-M212 WeakPolarHBondContact CA-SD 3.48Å; I167-M212 HydrophobicContact CD1-CE 4.01Å; I167-M212 HydrophobicContact CG1-CE 3.45Å; I167-M212 VanDerWaalsContact CG1-CE 3.45Å; C179-M212 HydrophobicContact CB-CE 4.48Å; C179-M212 WeakPolarHBondContact SG-CE 3.12Å; S182-M212 PolarHBondContact O-N 3.49Å; M212-V216 HydrophobicContact CG-CG2 4.5Å |
| 213 | G | 90.7 | Very high | 92.8 | Very high | 54 Ų | 54 | 55.5 Ų | 55.5 | 56% | 0.557 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -99.2 | -147.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | R211 Q215 | R211-G213 PolarHBondContact O-N 3.44Å; G213-Q215 CarbonylContact C-O 3.58Å; G213-Q215 PolarHBondContact N-O 3.43Å; G213-Q215 PolarHBondContact O-N 2.91Å |
| 214 | I | 88.4 | Confident | 92.6 | Very high | 167 Ų | 167 | 58.1 Ų | 58.1 | 86% | 0.856 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -55.6 | -35 | 166.6 | -60.5 | 174.2 | 0 | 0 | 0 | 110.6 | ||
| 215 | Q | 89.5 | Confident | 92.3 | Very high | 141 Ų | 141 | 59.1 Ų | 59.1 | 66% | 0.659 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -121.9 | 151 | 168.6 | -66.2 | 177.8 | -28.4 | 0 | 0 | 108.7 | G213 N217 | G213-Q215 CarbonylContact C-O 3.58Å; G213-Q215 PolarHBondContact N-O 3.43Å; G213-Q215 PolarHBondContact O-N 2.91Å; Q215-N217 PolarHBondContact O-N 3.42Å; Q215-N217 PolarHBondContact O-ND2 2.94Å; Q215-N217 VanDerWaalsContact O-ND2 3.1Å |
| 216 | V | 93 | Very high | 91.7 | Very high | 25 Ų | 25 | 58.9 Ų | 58.9 | 15% | 0.152 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 115.8 | 171.5 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | I166 I167 Y171 A210 M212 V218 | I166-V216 HydrophobicContact CG2-CG2 4.28Å; I167-V216 HydrophobicContact CD1-CG1 3.84Å; Y171-V216 HydrophobicContact CE1-CB 4.35Å; Y171-V216 HydrophobicContact CE1-CG1 4.25Å; Y171-V216 HydrophobicContact CE2-CB 4.26Å; Y171-V216 HydrophobicContact CE2-CG1 4.29Å; Y171-V216 HydrophobicContact CE2-CG2 4.28Å; Y171-V216 WeakPolarHBondContact OH-CB 3.27Å; A210-V216 HydrophobicContact CB-CG1 4.23Å; M212-V216 HydrophobicContact CG-CG2 4.5Å; V216-V218 HydrophobicContact CG1-CG2 4.1Å |
| 217 | N | 92.9 | Very high | 91.2 | Very high | 72 Ų | 72 | 65.4 Ų | 65.4 | 39% | 0.385 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 101.2 | -179 | -72.5 | -77.5 | 0 | 0 | 0 | 109.8 | A210 R211 Q215 | A210-N217 WeakPolarHBondContact CA-O 3.43Å; R211-N217 PolarHBondContact N-O 2.84Å; R211-N217 PolarHBondContact O-N 3.47Å; Q215-N217 PolarHBondContact O-N 3.42Å; Q215-N217 PolarHBondContact O-ND2 2.94Å; Q215-N217 VanDerWaalsContact O-ND2 3.1Å |
| 218 | V | 93.1 | Very high | 90.6 | Very high | 8 Ų | 8 | 65.7 Ų | 65.7 | 5% | 0.048 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 137.9 | 177.8 | -172.3 | 0 | 0 | 0 | 0 | 110.6 | Y171 I173 L209 A210 V216 W220 V223 | Y171-V218 HydrophobicContact CD1-CG2 3.67Å; Y171-V218 HydrophobicContact CE1-CG2 3.79Å; I173-V218 HydrophobicContact CD1-CG1 4Å; I173-V218 HydrophobicContact CD1-CG2 4.36Å; L209-V218 WeakPolarHBondContact O-CA 3.47Å; A210-V218 HydrophobicContact CB-CB 4.38Å; A210-V218 HydrophobicContact CB-CG2 3.96Å; V216-V218 HydrophobicContact CG1-CG2 4.1Å; V218-W220 HydrophobicContact CB-CD2 4.23Å; V218-W220 HydrophobicContact CB-CZ2 4.04Å; V218-W220 HydrophobicContact CG1-CD2 3.79Å; V218-W220 HydrophobicContact CG1-CE3 3.93Å; V218-W220 HydrophobicContact CG1-CG 4.33Å; V218-W220 HydrophobicContact CG1-CH2 4.2Å; V218-W220 HydrophobicContact CG1-CZ2 4.06Å; V218-W220 HydrophobicContact CG1-CZ3 4.13Å; V218-W220 HydrophobicContact CG2-CZ2 4.18Å; V218-W220 PolarHBondContact O-N 3Å; V218-V223 HydrophobicContact CG1-CG2 4.26Å |
| 219 | K | 91.5 | Very high | 90 | Very high | 79 Ų | 79 | 71.3 Ų | 71.3 | 34% | 0.343 | 35% | 0.349 | S | S | . | . | trans | -93.4 | 82.3 | 171.6 | -64.5 | -169.1 | 175.5 | 179.9 | 0 | 110 | Q207 L209 D221 A222 V223 | Q207-K219 VanDerWaalsContact CD-CD 3.49Å; Q207-K219 HydrophobicContact CG-CD 4.13Å; Q207-K219 VanDerWaalsContact NE2-CD 3.26Å; L209-K219 PolarHBondContact O-N 3.23Å; K219-D221 PolarHBondContact O-N 2.94Å; K219-A222 HydrophobicContact CB-CB 4.12Å; K219-A222 WeakPolarHBondContact O-CB 3.29Å; K219-A222 PolarHBondContact O-N 3.4Å; K219-V223 PolarHBondContact O-N 3.48Å | ||
| 220 | W | 88.4 | Confident | 89.6 | Confident | 98 Ų | 98 | 72.9 Ų | 72.9 | 37% | 0.371 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -27.9 | -172.5 | -68.3 | 113.6 | 0 | 0 | 0 | 114.5 | Y171 I173 V218 A222 V223 | Y171-W220 HydrophobicContact CD1-CH2 4.23Å; Y171-W220 HydrophobicContact CD1-CZ2 4.11Å; I173-W220 HydrophobicContact CG1-CH2 4.25Å; I173-W220 HydrophobicContact CG1-CZ3 4.01Å; V218-W220 HydrophobicContact CB-CD2 4.23Å; V218-W220 HydrophobicContact CB-CZ2 4.04Å; V218-W220 HydrophobicContact CG1-CD2 3.79Å; V218-W220 HydrophobicContact CG1-CE3 3.93Å; V218-W220 HydrophobicContact CG1-CG 4.33Å; V218-W220 HydrophobicContact CG1-CH2 4.2Å; V218-W220 HydrophobicContact CG1-CZ2 4.06Å; V218-W220 HydrophobicContact CG1-CZ3 4.13Å; V218-W220 HydrophobicContact CG2-CZ2 4.18Å; V218-W220 PolarHBondContact O-N 3Å; W220-A222 VanDerWaalsContact C-N 3.26Å; W220-A222 PolarHBondContact O-N 3.3Å; W220-V223 HydrophobicContact CE3-CG2 4.09Å; W220-V223 PolarHBondContact O-N 3.44Å |
| 221 | D | 82.8 | Confident | 89.4 | Confident | 115 Ų | 115 | 76.8 Ų | 76.8 | 62% | 0.615 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -25.1 | 173.6 | 61.5 | -53.6 | 0 | 0 | 0 | 113.1 | K219 | K219-D221 PolarHBondContact O-N 2.94Š|
| 222 | A | 89.2 | Confident | 89.3 | Confident | 24 Ų | 24 | 71.2 Ų | 71.2 | 20% | 0.198 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -16 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R186 L209 K219 W220 F224 | R186-A222 PolarHBondContact NH2-O 2.66Å; L209-A222 HydrophobicContact CD2-CB 4.16Å; K219-A222 HydrophobicContact CB-CB 4.12Å; K219-A222 WeakPolarHBondContact O-CB 3.29Å; K219-A222 PolarHBondContact O-N 3.4Å; W220-A222 VanDerWaalsContact C-N 3.26Å; W220-A222 PolarHBondContact O-N 3.3Å; A222-F224 PolarHBondContact O-N 3.1Å |
| 223 | V | 92.7 | Very high | 89.4 | Confident | 15 Ų | 15 | 74.2 Ų | 74.2 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | trans | -67.3 | 123.5 | -178.7 | 176.6 | 0 | 0 | 0 | 0 | 110.1 | I173 E175 V218 K219 W220 R225 | I173-V223 HydrophobicContact CG2-CG1 4.22Å; E175-V223 WeakPolarHBondContact OE1-CA 3.37Å; V218-V223 HydrophobicContact CG1-CG2 4.26Å; K219-V223 PolarHBondContact O-N 3.48Å; W220-V223 HydrophobicContact CE3-CG2 4.09Å; W220-V223 PolarHBondContact O-N 3.44Å; V223-R225 HydrophobicContact CG1-CG 4.2Å | ||
| 224 | F | 91.4 | Very high | 89.7 | Confident | 60 Ų | 60 | 72 Ų | 72 | 26% | 0.263 | 35% | 0.346 | S | S | . | . | trans | -80.1 | 130.2 | 177.1 | -173.5 | -87.7 | 0 | 0 | 0 | 109.4 | E175 R186 A222 I379 | E175-F224 HydrophobicContact CG-CB 4.29Å; E175-F224 WeakPolarHBondContact CG-O 3.39Å; E175-F224 PolarHBondContact OE1-N 2.92Å; R186-F224 VanDerWaalsContact NH2-CB 3.34Å; R186-F224 VanDerWaalsContact NH2-N 3.18Å; A222-F224 PolarHBondContact O-N 3.1Å; F224-I379 WeakPolarHBondContact CZ-O 3.08Å | ||
| 225 | R | 89.5 | Confident | 90.1 | Very high | 36 Ų | 36 | 66.9 Ų | 66.9 | 14% | 0.136 | 32% | 0.316 | C | S | . | . | trans | -132.1 | 137.9 | 179.6 | -59.4 | -171 | 173.1 | -100.7 | 0.9 | 109.8 | D172 P174 V223 G477 | D172-R225 PolarHBondContact O-NH2 2.93Å; D172-R225 IonicContact OD2-CZ 3.8Å; D172-R225 IonicContact OD2-NH1 3.16Å; D172-R225 PolarHBondContact OD2-NH1 3.29Å; D172-R225 IonicContact OD2-NH2 2.98Å; D172-R225 PolarHBondContact OD2-NH2 3.03Å; D172-R225 VanDerWaalsContact OD2-NH2 3.07Å; P174-R225 HydrophobicContact CG-CB 4.49Å; P174-R225 HydrophobicContact CG-CG 3.83Å; V223-R225 HydrophobicContact CG1-CG 4.2Å; R225-G477 WeakPolarHBondContact CD-O 3.34Å | ||
| 226 | S | 82.9 | Confident | 90.4 | Very high | 36 Ų | 36 | 63.8 Ų | 63.8 | 25% | 0.252 | 30% | 0.299 | S | S | . | . | trans | -66.2 | 142 | 169.2 | -173.2 | 0 | 0 | 0 | 0 | 109.9 | D136 V228 | D136-S226 WeakPolarHBondContact OD1-CB 3.38Å; D136-S226 PolarHBondContact OD1-OG 2.85Å; S226-V228 PolarHBondContact OG-N 2.87Å; S226-V228 VanDerWaalsContact OG-N 3.13Å | ||
| 227 | R | 82.2 | Confident | 90.2 | Very high | 168 Ų | 168 | 65.1 Ų | 65.1 | 63% | 0.634 | 32% | 0.317 | S | S | * | . | trans | -103.1 | 4.7 | 172 | -63.1 | -176.1 | -174.8 | 167.4 | 3.5 | 111.9 | S475 | R227-S475 WeakPolarHBondContact CB-O 3.29Š| ||
| 228 | V | 82.8 | Confident | 90.4 | Very high | 94 Ų | 94 | 62.4 Ų | 62.4 | 57% | 0.57 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -84.6 | 135.2 | 179.1 | -168.1 | 0 | 0 | 0 | 0 | 108.7 | D136 S226 S230 | D136-V228 WeakPolarHBondContact OD1-CB 3.46Å; S226-V228 PolarHBondContact OG-N 2.87Å; S226-V228 VanDerWaalsContact OG-N 3.13Å; V228-S230 VanDerWaalsContact C-N 3.3Å; V228-S230 WeakPolarHBondContact CG1-OG 3.29Å; V228-S230 PolarHBondContact O-N 3.47Å; V228-S230 VanDerWaalsContact O-N 3.16Å |
| 229 | R | 83.1 | Confident | 90.6 | Very high | 130 Ų | 130 | 62.4 Ų | 62.4 | 49% | 0.491 | 30% | 0.303 | S | S | . | . | trans | -87.9 | 68.3 | 179.9 | -65.4 | -179.5 | -70.3 | 178.5 | -1.8 | 110 | L474 | R229-L474 HydrophobicContact CG-CB 4.17Š| ||
| 230 | S | 89.5 | Confident | 90.8 | Very high | 33 Ų | 33 | 65.4 Ų | 65.4 | 23% | 0.231 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -135.5 | 155.2 | -176.1 | 40.4 | 0 | 0 | 0 | 0 | 111.2 | D136 V228 K508 S509 | D136-S230 WeakPolarHBondContact CB-OG 3.21Å; D136-S230 PolarHBondContact OD2-OG 3.05Å; V228-S230 VanDerWaalsContact C-N 3.3Å; V228-S230 WeakPolarHBondContact CG1-OG 3.29Å; V228-S230 PolarHBondContact O-N 3.47Å; V228-S230 VanDerWaalsContact O-N 3.16Å; S230-K508 CarbonylContact C-O 3.6Å; S230-S509 CarbonylContact O-C 3.51Å |
| 231 | K | 92.8 | Very high | 91.1 | Very high | 83 Ų | 83 | 63.3 Ų | 63.3 | 36% | 0.361 | 31% | 0.308 | S | S | . | . | trans | -64.3 | 153.6 | 160.9 | -56 | -163.8 | 172 | -174.8 | 0 | 108.9 | F233 R507 K508 E543 | K231-F233 PolarHBondContact O-N 3.45Å; K231-R507 WeakPolarHBondContact CE-O 3.09Å; K231-K508 PolarHBondContact N-O 3.43Å; K231-E543 IonicContact NZ-OE1 2.88Å | ||
| 232 | V | 94.9 | Very high | 91.7 | Very high | 22 Ų | 22 | 59.3 Ų | 59.3 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | trans | -51 | 134.3 | 172.2 | 65.8 | 0 | 0 | 0 | 0 | 110 | Y108 F134 E135 L137 | Y108-V232 HydrophobicContact CD1-CG1 3.61Å; Y108-V232 HydrophobicContact CD2-CG1 4.27Å; Y108-V232 HydrophobicContact CE1-CB 4.09Å; Y108-V232 HydrophobicContact CE1-CG1 3.58Å; Y108-V232 HydrophobicContact CE2-CG1 4.24Å; Y108-V232 HydrophobicContact CE2-CG2 4.41Å; Y108-V232 HydrophobicContact CG-CG1 3.95Å; F134-V232 HydrophobicContact CD1-CG2 3.81Å; E135-V232 WeakPolarHBondContact O-CA 3.28Å; E135-V232 WeakPolarHBondContact O-CG2 3.35Å; L137-V232 HydrophobicContact CD1-CG2 4.5Å | ||
| 233 | F | 95.3 | Very high | 92 | Very high | 99 Ų | 99 | 59 Ų | 59 | 43% | 0.434 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 133.4 | 176.9 | 179.4 | -102.3 | 0 | 0 | 0 | 109.5 | E135 K231 R235 | E135-F233 HydrophobicContact CB-CB 4.31Å; E135-F233 HydrophobicContact CG-CD1 4.06Å; E135-F233 PolarHBondContact N-O 2.94Å; E135-F233 PolarHBondContact O-N 3.43Å; E135-F233 WeakPolarHBondContact OE2-CD1 3.48Å; K231-F233 PolarHBondContact O-N 3.45Å; F233-R235 HydrophobicContact CD1-CG 4.02Å; F233-R235 HydrophobicContact CE1-CG 3.52Å |
| 234 | V | 97.3 | Very high | 92 | Very high | 7 Ų | 7 | 61.1 Ų | 61.1 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 118.6 | -175 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | A101 H105 M133 F134 Y236 | A101-V234 HydrophobicContact CB-CG1 3.78Å; H105-V234 HydrophobicContact CB-CG2 3.96Å; M133-V234 CarbonylContact O-C 3.34Å; M133-V234 WeakPolarHBondContact O-CA 3.37Å; F134-V234 HydrophobicContact CD1-CG2 3.58Å; F134-V234 HydrophobicContact CE1-CG2 3.41Å; F134-V234 VanDerWaalsContact CE1-CG2 3.41Å; F134-V234 HydrophobicContact CG-CG2 4.37Å; F134-V234 HydrophobicContact CZ-CG1 4.43Å; F134-V234 HydrophobicContact CZ-CG2 4.08Å; V234-Y236 HydrophobicContact CB-CE1 4.26Å; V234-Y236 HydrophobicContact CB-CE2 4.38Å; V234-Y236 HydrophobicContact CG1-CD1 4Å; V234-Y236 HydrophobicContact CG1-CE1 3.51Å; V234-Y236 HydrophobicContact CG1-CE2 4.38Å |
| 235 | R | 96.7 | Very high | 92.1 | Very high | 59 Ų | 59 | 59.1 Ų | 59.1 | 22% | 0.223 | 29% | 0.286 | C | S | . | . | trans | -90.9 | 110.9 | 172.6 | -68 | -156.8 | -160.4 | -92.1 | -15.7 | 111.1 | M133 E135 F233 Y359 R363 | M133-R235 WeakPolarHBondContact CG-O 3.23Å; M133-R235 PolarHBondContact O-N 2.84Å; E135-R235 VanDerWaalsContact CD-NE 3.29Å; E135-R235 HydrophobicContact CG-CG 4.48Å; E135-R235 WeakPolarHBondContact OE1-CD 3.3Å; E135-R235 IonicContact OE1-CZ 3.7Å; E135-R235 IonicContact OE1-NE 2.67Å; E135-R235 PolarHBondContact OE1-NE 2.95Å; E135-R235 IonicContact OE1-NH2 3Å; E135-R235 PolarHBondContact OE1-NH2 3.03Å; E135-R235 IonicContact OE2-CZ 2.69Å; E135-R235 IonicContact OE2-NE 2.68Å; E135-R235 PolarHBondContact OE2-NE 2.88Å; E135-R235 IonicContact OE2-NH2 2.7Å; E135-R235 PolarHBondContact OE2-NH2 3.34Å; F233-R235 HydrophobicContact CD1-CG 4.02Å; F233-R235 HydrophobicContact CE1-CG 3.52Å; R235-Y359 HydrophobicContact CB-CE2 4.45Å; R235-Y359 HydrophobicContact CG-CE2 4.36Å; R235-R363 VanDerWaalsContact NE-CD 3.3Å | ||
| 236 | Y | 95.7 | Very high | 92.2 | Very high | 76 Ų | 76 | 63.5 Ų | 63.5 | 30% | 0.298 | 30% | 0.303 | S | S | . | . | trans | -83.6 | -27.8 | 176.3 | -55.6 | -69.1 | 0 | 0 | 0 | 113.4 | T98 A101 K102 H105 V234 L238 | T98-Y236 HydrophobicContact CG2-CD1 3.85Å; T98-Y236 HydrophobicContact CG2-CG 4.29Å; T98-Y236 PolarHBondContact OG1-O 2.8Å; A101-Y236 HydrophobicContact CB-CD1 4.49Å; A101-Y236 HydrophobicContact CB-CE1 4.26Å; K102-Y236 HydrophobicContact CB-CE1 3.83Å; H105-Y236 PolarHBondContact ND1-OH 3.38Å; V234-Y236 HydrophobicContact CB-CE1 4.26Å; V234-Y236 HydrophobicContact CB-CE2 4.38Å; V234-Y236 HydrophobicContact CG1-CD1 4Å; V234-Y236 HydrophobicContact CG1-CE1 3.51Å; V234-Y236 HydrophobicContact CG1-CE2 4.38Å; Y236-L238 PolarHBondContact O-N 2.68Å | ||
| 237 | G | 90.3 | Very high | 92.5 | Very high | 53 Ų | 53 | 61.9 Ų | 61.9 | 55% | 0.546 | 29% | 0.291 | S | S | . | . | trans | -82.5 | 74 | -173 | 0 | 0 | 0 | 0 | 0 | 113.9 | G362 | G237-G362 WeakPolarHBondContact O-CA 3.04Š| ||
| 238 | L | 96.2 | Very high | 92.8 | Very high | 15 Ų | 15 | 59.3 Ų | 59.3 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | trans | -79.9 | 136.1 | 168.8 | -62.2 | -178 | 0 | 0 | 0 | 110.7 | F94 W97 A129 M133 Y236 R240 A358 | F94-L238 HydrophobicContact CD1-CB 3.66Å; F94-L238 HydrophobicContact CD1-CD1 3.95Å; F94-L238 HydrophobicContact CD1-CG 4.47Å; F94-L238 HydrophobicContact CE1-CB 3.95Å; F94-L238 HydrophobicContact CE1-CD1 4.34Å; W97-L238 HydrophobicContact CE3-CD1 3.96Å; W97-L238 HydrophobicContact CZ3-CD1 4.47Å; A129-L238 HydrophobicContact CB-CD1 4.41Å; M133-L238 HydrophobicContact CG-CD1 3.93Å; M133-L238 HydrophobicContact CG-CD2 4.05Å; M133-L238 HydrophobicContact CG-CG 4.13Å; M133-L238 HydrophobicContact SD-CD1 3.83Å; M133-L238 HydrophobicContact SD-CG 4.45Å; Y236-L238 PolarHBondContact O-N 2.68Å; L238-R240 PolarHBondContact O-N 3.18Å; L238-A358 HydrophobicContact CB-CB 4.23Å | ||
| 239 | D | 96.7 | Very high | 92.7 | Very high | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.043 | 29% | 0.288 | C | S | . | . | trans | -75 | 125.7 | 174.9 | -172.5 | 10.7 | 0 | 0 | 0 | 111.5 | N241 R283 A358 L361 | D239-N241 WeakPolarHBondContact OD1-CB 3.35Å; D239-N241 PolarHBondContact OD1-N 3.31Å; D239-N241 PolarHBondContact OD1-ND2 3.11Å; D239-R283 IonicContact OD1-CZ 2.67Å; D239-R283 IonicContact OD1-NE 3.76Å; D239-R283 IonicContact OD1-NH2 3.02Å; D239-R283 PolarHBondContact OD1-NH2 3.1Å; D239-R283 IonicContact OD2-CZ 3.71Å; D239-R283 IonicContact OD2-NE 3.95Å; D239-R283 PolarHBondContact OD2-NE 2.92Å; D239-R283 IonicContact OD2-NH2 3.66Å; D239-R283 PolarHBondContact OD2-NH2 3.07Å; D239-A358 WeakPolarHBondContact CB-O 3.4Å; D239-A358 PolarHBondContact N-O 2.82Å; D239-A358 VanDerWaalsContact O-CB 3.3Å; D239-A358 WeakPolarHBondContact O-CB 3.01Å; D239-L361 HydrophobicContact CB-CB 3.6Å; D239-L361 VanDerWaalsContact OD2-CB 3.25Å; D239-L361 WeakPolarHBondContact OD2-CB 3.31Å | ||
| 240 | R | 95.3 | Very high | 92.4 | Very high | 143 Ų | 143 | 57.6 Ų | 57.6 | 54% | 0.54 | 30% | 0.3 | S | S | . | . | trans | -86.6 | -14.2 | -178.9 | -51.9 | -177.8 | -174.6 | 176.3 | -0.6 | 112.8 | F94 M95 L238 I242 | F94-R240 HydrophobicContact CB-CG 4.43Å; F94-R240 HydrophobicContact CD1-CG 4.41Å; F94-R240 HydrophobicContact CD2-CB 4.22Å; F94-R240 HydrophobicContact CD2-CG 3.72Å; F94-R240 HydrophobicContact CE2-CB 4.03Å; F94-R240 HydrophobicContact CE2-CG 4.01Å; F94-R240 HydrophobicContact CG-CG 3.94Å; F94-R240 HydrophobicContact CZ-CB 4.46Å; F94-R240 HydrophobicContact CZ-CG 4.46Å; M95-R240 PolarHBondContact SD-NH2 2.63Å; L238-R240 PolarHBondContact O-N 3.18Å; R240-I242 PolarHBondContact O-N 3.36Å | ||
| 241 | N | 96 | Very high | 91.5 | Very high | 53 Ų | 53 | 56.9 Ų | 56.9 | 28% | 0.283 | 29% | 0.293 | S | S | . | . | trans | -83.8 | 53.2 | -174.5 | -59.5 | -62.9 | 0 | 0 | 0 | 112 | D239 P281 R283 G284 | D239-N241 WeakPolarHBondContact OD1-CB 3.35Å; D239-N241 PolarHBondContact OD1-N 3.31Å; D239-N241 PolarHBondContact OD1-ND2 3.11Å; N241-P281 WeakPolarHBondContact CB-O 3.45Å; N241-R283 HydrophobicContact CB-CB 4.44Å; N241-R283 HydrophobicContact CB-CG 4.19Å; N241-R283 PolarHBondContact O-N 3.25Å; N241-G284 PolarHBondContact O-N 3.23Å | ||
| 242 | I | 95.6 | Very high | 89.9 | Confident | 31 Ų | 31 | 56.3 Ų | 56.3 | 16% | 0.159 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 153.7 | 178.9 | 59.8 | 163.5 | 0 | 0 | 0 | 110.6 | F94 R240 G284 L354 L357 A358 L361 | F94-I242 HydrophobicContact CZ-CD1 4.33Å; F94-I242 HydrophobicContact CZ-CG1 4.44Å; R240-I242 PolarHBondContact O-N 3.36Å; I242-G284 VanDerWaalsContact CA-O 3.28Å; I242-G284 WeakPolarHBondContact CA-O 3.43Å; I242-L354 HydrophobicContact CD1-CB 4.18Å; I242-L354 HydrophobicContact CD1-CD2 4.05Å; I242-L354 VanDerWaalsContact CD1-O 3.27Å; I242-L354 WeakPolarHBondContact CD1-O 3.45Å; I242-L357 HydrophobicContact CG2-CD2 4.16Å; I242-L357 HydrophobicContact CG2-CG 3.96Å; I242-A358 HydrophobicContact CD1-CB 3.92Å; I242-L361 HydrophobicContact CG2-CD1 3.68Å |
| 243 | A | 94 | Very high | 88 | Confident | 17 Ų | 17 | 63.3 Ų | 63.3 | 14% | 0.14 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 155.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F277 I282 G284 V285 V286 | A243-F277 HydrophobicContact CB-CD1 4.31Å; A243-I282 HydrophobicContact CB-CD1 4.28Å; A243-I282 HydrophobicContact CB-CG2 4.45Å; A243-G284 PolarHBondContact N-O 3.07Å; A243-V285 HydrophobicContact CB-CG2 4.36Å; A243-V285 CarbonylContact O-C 3.56Å; A243-V285 WeakPolarHBondContact O-CA 3.3Å; A243-V286 PolarHBondContact O-N 3.01Å |
| 244 | L | 94.4 | Very high | 85.9 | Confident | 61 Ų | 61 | 59.8 Ų | 59.8 | 32% | 0.319 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 124.9 | 169.9 | -178.9 | 65 | 0 | 0 | 0 | 108.6 | V286 Q288 V350 L354 | L244-V286 WeakPolarHBondContact CA-O 3.33Å; L244-V286 HydrophobicContact CD1-CB 3.9Å; L244-V286 HydrophobicContact CD1-CG1 3.77Å; L244-Q288 HydrophobicContact CD1-CG 3.75Å; L244-V350 HydrophobicContact CD1-CG1 3.56Å; L244-V350 HydrophobicContact CD2-CG1 3.66Å; L244-V350 HydrophobicContact CG-CG1 4.27Å; L244-L354 HydrophobicContact CB-CD1 4.11Å; L244-L354 HydrophobicContact CB-CD2 4.1Å; L244-L354 HydrophobicContact CD1-CD1 4.33Å; L244-L354 HydrophobicContact CD2-CD1 4.24Å; L244-L354 HydrophobicContact CG-CD1 4.46Å |
| 245 | L | 92.8 | Very high | 83.1 | Confident | 17 Ų | 17 | 64.4 Ų | 64.4 | 9% | 0.089 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 111.6 | 175.2 | -178.9 | 60.3 | 0 | 0 | 0 | 110 | I247 F274 F277 F278 V285 V286 L287 Q288 | L245-I247 HydrophobicContact CD2-CD1 4.31Å; L245-I247 HydrophobicContact CG-CD1 4.25Å; L245-F274 HydrophobicContact CD2-CD2 4.04Å; L245-F274 HydrophobicContact CD2-CE2 3.55Å; L245-F274 HydrophobicContact CD2-CZ 4.16Å; L245-F277 HydrophobicContact CD1-CD1 4.33Å; L245-F277 HydrophobicContact CD1-CD2 4.04Å; L245-F277 HydrophobicContact CD1-CE1 4.31Å; L245-F277 HydrophobicContact CD1-CE2 4.04Å; L245-F277 HydrophobicContact CD1-CG 4.2Å; L245-F277 HydrophobicContact CD1-CZ 4.18Å; L245-F277 HydrophobicContact CD2-CB 4.5Å; L245-F278 HydrophobicContact CD2-CE2 3.97Å; L245-F278 HydrophobicContact CD2-CZ 3.95Å; L245-V285 HydrophobicContact CB-CG1 4.1Å; L245-V286 PolarHBondContact N-O 3.44Å; L245-L287 CarbonylContact O-C 3.56Å; L245-L287 WeakPolarHBondContact O-CA 3.28Å; L245-Q288 PolarHBondContact O-N 3.06Å |
| 246 | R | 92.5 | Very high | 80.4 | Confident | 129 Ų | 129 | 66.9 Ų | 66.9 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 117.9 | 175.1 | -171.5 | 176.1 | -173.7 | 100.7 | -2.4 | 110.4 | Q288 Q321 | R246-Q288 HydrophobicContact CB-CB 4.41Å; R246-Q288 HydrophobicContact CG-CB 4.2Å; R246-Q321 HydrophobicContact CG-CG 4.4Å |
| 247 | I | 89.3 | Confident | 77.5 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | trans | -73.6 | 141.1 | 177.2 | -58.1 | -56.3 | 0 | 0 | 0 | 110 | L245 I251 F274 L287 Q288 T289 F290 M295 Q321 | L245-I247 HydrophobicContact CD2-CD1 4.31Å; L245-I247 HydrophobicContact CG-CD1 4.25Å; I247-I251 HydrophobicContact CB-CD1 4.42Å; I247-I251 HydrophobicContact CD1-CD1 3.79Å; I247-I251 HydrophobicContact CG2-CD1 3.87Å; I247-F274 HydrophobicContact CD1-CE2 4.21Å; I247-L287 HydrophobicContact CD1-CD2 3.66Å; I247-L287 HydrophobicContact CG1-CD2 3.66Å; I247-Q288 WeakPolarHBondContact CB-O 3.44Å; I247-Q288 PolarHBondContact N-O 3.17Å; I247-T289 HydrophobicContact CG1-CG2 4.38Å; I247-F290 HydrophobicContact CB-CZ 4.36Å; I247-F290 HydrophobicContact CG2-CE1 4.3Å; I247-F290 HydrophobicContact CG2-CE2 3.73Å; I247-F290 HydrophobicContact CG2-CZ 3.59Å; I247-F290 WeakPolarHBondContact O-CE1 3.3Å; I247-M295 HydrophobicContact CD1-CE 3.92Å; I247-M295 HydrophobicContact CD1-SD 4.36Å; I247-M295 HydrophobicContact CG1-SD 4.46Å; I247-Q321 PolarHBondContact O-NE2 3.07Å | ||
| 248 | F | 87.2 | Confident | 75 | Confident | 114 Ų | 114 | 77.7 Ų | 77.7 | 50% | 0.5 | 39% | 0.392 | S | S | . | . | trans | -137.7 | 154.9 | 174.8 | 63.6 | -81.7 | 0 | 0 | 0 | 109.8 | I251 | F248-I251 HydrophobicContact CD1-CD1 4.4Å; F248-I251 HydrophobicContact CD1-CG1 3.82Å; F248-I251 HydrophobicContact CD2-CG1 4.48Å; F248-I251 HydrophobicContact CE1-CD1 4.44Å; F248-I251 HydrophobicContact CE1-CG1 3.57Å; F248-I251 HydrophobicContact CE2-CG1 4.24Å; F248-I251 HydrophobicContact CG-CG1 4.26Å; F248-I251 HydrophobicContact CZ-CG1 3.79Å; F248-I251 WeakPolarHBondContact O-CG1 3.49Å | ||
| 249 | P | 82 | Confident | 72.3 | Confident | 99 Ų | 99 | 82.3 Ų | 82.3 | 64% | 0.643 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 145.5 | 174.5 | -24.3 | 35.2 | 0 | 0 | 0 | 110.6 | I251 F290 | P249-I251 PolarHBondContact O-N 3.14Å; P249-F290 HydrophobicContact CG-CE1 4.49Å; P249-F290 HydrophobicContact CG-CZ 4.18Å |
| 250 | A | 75.6 | Confident | 69.7 | Low | 90 Ų | 90 | 87 Ų | 87 | 74% | 0.744 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 31 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | P252 | A250-P252 WeakPolarHBondContact O-CD 3.48Š|
| 251 | I | 70 | Confident | 67.4 | Low | 18 Ų | 18 | 89.7 Ų | 89.7 | 9% | 0.092 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -47.7 | 120.7 | 157.2 | -71.3 | 166.2 | 0 | 0 | 0 | 106.9 | I247 F248 P249 F274 R299 L302 | I247-I251 HydrophobicContact CB-CD1 4.42Å; I247-I251 HydrophobicContact CD1-CD1 3.79Å; I247-I251 HydrophobicContact CG2-CD1 3.87Å; F248-I251 HydrophobicContact CD1-CD1 4.4Å; F248-I251 HydrophobicContact CD1-CG1 3.82Å; F248-I251 HydrophobicContact CD2-CG1 4.48Å; F248-I251 HydrophobicContact CE1-CD1 4.44Å; F248-I251 HydrophobicContact CE1-CG1 3.57Å; F248-I251 HydrophobicContact CE2-CG1 4.24Å; F248-I251 HydrophobicContact CG-CG1 4.26Å; F248-I251 HydrophobicContact CZ-CG1 3.79Å; F248-I251 WeakPolarHBondContact O-CG1 3.49Å; P249-I251 PolarHBondContact O-N 3.14Å; I251-F274 HydrophobicContact CG2-CD2 4.48Å; I251-R299 PolarHBondContact O-NH1 2.65Å; I251-L302 HydrophobicContact CB-CD1 4.43Å; I251-L302 HydrophobicContact CG2-CD1 4.07Å; I251-L302 HydrophobicContact CG2-CD2 4.26Å |
| 252 | P | 59.5 | Low | 64.7 | Low | 71 Ų | 71 | 96 Ų | 96 | 46% | 0.461 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 147 | -166.3 | -21.7 | 29.3 | 0 | 0 | 0 | 112.1 | A250 R299 | A250-P252 WeakPolarHBondContact O-CD 3.48Å; P252-R299 PolarHBondContact O-NH2 2.8Å |
| 253 | R | 54.9 | Low | 62.2 | Low | 168 Ų | 168 | 104.3 Ų | 104.3 | 63% | 0.634 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -90.6 | 120.3 | 173.5 | -160.2 | -178.4 | -154.6 | -173.2 | 7 | 107.3 | C255 | R253-C255 PolarHBondContact O-N 2.86Š|
| 254 | D | 51.6 | Low | 59.9 | Low | 26 Ų | 26 | 112.6 Ų | 112.6 | 14% | 0.139 | 58% | 0.576 | C | S | . | * | trans | -75.1 | 113.5 | 158.8 | -76.1 | 9.4 | 0 | 0 | 0 | 105.8 | V256 S270 L271 | D254-V256 PolarHBondContact O-N 3.38Å; D254-S270 WeakPolarHBondContact OD1-CB 3.26Å; D254-S270 PolarHBondContact OD1-OG 2.78Å; D254-L271 HydrophobicContact CB-CB 3.74Å; D254-L271 HydrophobicContact CB-CD2 4.46Å; D254-L271 PolarHBondContact OD1-N 3.29Å; D254-L271 WeakPolarHBondContact OD2-CA 2.79Å; D254-L271 WeakPolarHBondContact OD2-CB 3.46Å; D254-L271 PolarHBondContact OD2-N 3.36Å | ||
| 255 | C | 38.1 | Very low | 57.4 | Low | 103 Ų | 103 | 116 Ų | 116 | 70% | 0.696 | 59% | 0.594 | S | S | * | * | trans | -59.2 | 107 | 169.4 | -87.1 | 0 | 0 | 0 | 0 | 108.1 | R253 I257 | R253-C255 PolarHBondContact O-N 2.86Å; C255-I257 VanDerWaalsContact C-N 3.3Å; C255-I257 PolarHBondContact O-N 2.84Å | ||
| 256 | V | 40 | Very low | 55.1 | Low | 111 Ų | 111 | 122.8 Ų | 122.8 | 67% | 0.673 | 63% | 0.629 | S | S | * | * | trans | -56.8 | 95.3 | 165 | 177.5 | 0 | 0 | 0 | 0 | 107.7 | D254 R258 | D254-V256 PolarHBondContact O-N 3.38Å; V256-R258 HydrophobicContact CG1-CG 4.12Å; V256-R258 PolarHBondContact O-N 2.9Å; V256-R258 VanDerWaalsContact O-N 3.16Å | ||
| 257 | I | 34.6 | Very low | 52.7 | Low | 127 Ų | 127 | 125.6 Ų | 125.6 | 65% | 0.651 | 65% | 0.645 | S | S | * | * | trans | -76.3 | 98.2 | 164.2 | -64.6 | 178 | 0 | 0 | 0 | 106.4 | C255 T259 | C255-I257 VanDerWaalsContact C-N 3.3Å; C255-I257 PolarHBondContact O-N 2.84Å; I257-T259 VanDerWaalsContact C-N 3.26Å; I257-T259 WeakPolarHBondContact CG2-OG1 3.13Å; I257-T259 PolarHBondContact O-N 2.86Å | ||
| 258 | R | 38 | Very low | 50.9 | Low | 229 Ų | 229 | 131.5 Ų | 131.5 | 86% | 0.864 | 67% | 0.673 | S | S | * | * | trans | -71 | 83.5 | 160.8 | -80 | -177.6 | 170 | -179.5 | -2.1 | 108.4 | V256 | V256-R258 HydrophobicContact CG1-CG 4.12Å; V256-R258 PolarHBondContact O-N 2.9Å; V256-R258 VanDerWaalsContact O-N 3.16Å | ||
| 259 | T | 40.5 | Very low | 49.1 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 69% | 0.687 | 68% | 0.683 | S | S | * | * | trans | -160.2 | 127.2 | 156 | 9.3 | 0 | 0 | 0 | 0 | 109.6 | I257 F261 | I257-T259 VanDerWaalsContact C-N 3.26Å; I257-T259 WeakPolarHBondContact CG2-OG1 3.13Å; I257-T259 PolarHBondContact O-N 2.86Å; T259-F261 PolarHBondContact O-N 3.31Å | ||
| 260 | A | 41 | Very low | 47.6 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 89% | 0.893 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 25.6 | -160.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 261 | F | 47.1 | Very low | 46.8 | Very low | 199 Ų | 199 | 127.7 Ų | 127.7 | 87% | 0.873 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.8 | -0.5 | -167.2 | -145 | -102.8 | 0 | 0 | 0 | 118 | T259 | T259-F261 PolarHBondContact O-N 3.31Š|
| 262 | M | 40.2 | Very low | 46.4 | Very low | 185 Ų | 185 | 131.1 Ų | 131.1 | 91% | 0.911 | 66% | 0.655 | S | S | * | * | trans | -132 | 43.4 | 179.8 | -73 | -149.2 | 85.3 | 0 | 0 | 115 | F264 | M262-F264 PolarHBondContact O-N 2.73Š| ||
| 263 | K | 43.4 | Very low | 46.7 | Very low | 205 Ų | 205 | 133.7 Ų | 133.7 | 89% | 0.891 | 66% | 0.661 | S | S | * | * | trans | -86.7 | 4.8 | -162.8 | -140.4 | -179.3 | -177.4 | -177.5 | 0 | 117.9 | ||||
| 264 | F | 44.5 | Very low | 47.8 | Very low | 192 Ų | 192 | 126.2 Ų | 126.2 | 84% | 0.842 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -105.9 | -34.1 | -159.7 | -149.9 | -118.6 | 0 | 0 | 0 | 119.2 | M262 | M262-F264 PolarHBondContact O-N 2.73Š|
| 265 | L | 41.8 | Very low | 49.2 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 70% | 0.696 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -144.4 | 125.7 | -175 | -93.8 | 89 | 0 | 0 | 0 | 111.9 | ||
| 266 | L | 44.7 | Very low | 51.1 | Low | 159 Ų | 159 | 126.4 Ų | 126.4 | 83% | 0.832 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 105.8 | -8.2 | 160.1 | -60.8 | 154 | 0 | 0 | 0 | 120.6 | ||
| 267 | F | 43.6 | Very low | 53 | Low | 187 Ų | 187 | 125.3 Ų | 125.3 | 82% | 0.82 | 62% | 0.616 | S | S | * | * | trans | -110.9 | 15.4 | -171.8 | -96.8 | -87.2 | 0 | 0 | 0 | 117.7 | ||||
| 268 | Q | 50.5 | Low | 55.5 | Low | 125 Ų | 125 | 119.6 Ų | 119.6 | 58% | 0.584 | 59% | 0.587 | S | S | * | * | trans | -104.9 | 1.4 | -171.2 | -80.7 | -162 | -40.6 | 0 | 0 | 116.6 | S270 L272 | Q268-S270 PolarHBondContact O-N 3.46Å; Q268-S270 VanDerWaalsContact O-N 3.15Å; Q268-L272 HydrophobicContact CB-CB 4.21Å; Q268-L272 HydrophobicContact CB-CD1 4.41Å; Q268-L272 WeakPolarHBondContact O-CB 3.39Å; Q268-L272 PolarHBondContact O-N 3.3Å | ||
| 269 | Q | 50.2 | Low | 57.7 | Low | 152 Ų | 152 | 112.6 Ų | 112.6 | 71% | 0.71 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.5 | -36.4 | -157.6 | -77.8 | -175.8 | -8.8 | 0 | 0 | 116.1 | Q273 | Q269-Q273 WeakPolarHBondContact O-CB 3.22Å; Q269-Q273 WeakPolarHBondContact O-CG 3.43Å; Q269-Q273 PolarHBondContact O-N 3.01Å; Q269-Q273 VanDerWaalsContact O-N 3.11Å; Q269-Q273 PolarHBondContact O-NE2 3.01Å |
| 270 | S | 50.5 | Low | 60 | Low | 32 Ų | 32 | 112.5 Ų | 112.5 | 22% | 0.224 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -87.4 | -43.5 | -173.1 | 22 | 0 | 0 | 0 | 0 | 115 | D254 Q268 L272 Q273 F274 | D254-S270 WeakPolarHBondContact OD1-CB 3.26Å; D254-S270 PolarHBondContact OD1-OG 2.78Å; Q268-S270 PolarHBondContact O-N 3.46Å; Q268-S270 VanDerWaalsContact O-N 3.15Å; S270-L272 VanDerWaalsContact C-N 3.27Å; S270-Q273 WeakPolarHBondContact O-CB 3.15Å; S270-Q273 PolarHBondContact O-N 3.19Å; S270-F274 PolarHBondContact O-N 2.96Å |
| 271 | L | 58.7 | Low | 62.4 | Low | 40 Ų | 40 | 111.7 Ų | 111.7 | 21% | 0.209 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -71.2 | -29.9 | 173.7 | -165.2 | 72.1 | 0 | 0 | 0 | 110.2 | D254 Q273 F274 R275 D301 L302 V305 | D254-L271 HydrophobicContact CB-CB 3.74Å; D254-L271 HydrophobicContact CB-CD2 4.46Å; D254-L271 PolarHBondContact OD1-N 3.29Å; D254-L271 WeakPolarHBondContact OD2-CA 2.79Å; D254-L271 WeakPolarHBondContact OD2-CB 3.46Å; D254-L271 PolarHBondContact OD2-N 3.36Å; L271-Q273 VanDerWaalsContact C-N 3.32Å; L271-F274 PolarHBondContact O-N 3.3Å; L271-R275 WeakPolarHBondContact O-CB 3.48Å; L271-R275 PolarHBondContact O-N 3.27Å; L271-D301 HydrophobicContact CD1-CB 4.49Å; L271-L302 HydrophobicContact CD1-CD2 4.03Å; L271-V305 HydrophobicContact CD1-CG2 4.39Å |
| 272 | L | 60.3 | Low | 64.6 | Low | 90 Ų | 90 | 104.2 Ų | 104.2 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.7 | -37 | 171.2 | -155.3 | 83.1 | 0 | 0 | 0 | 111.1 | Q268 S270 A276 | Q268-L272 HydrophobicContact CB-CB 4.21Å; Q268-L272 HydrophobicContact CB-CD1 4.41Å; Q268-L272 WeakPolarHBondContact O-CB 3.39Å; Q268-L272 PolarHBondContact O-N 3.3Å; S270-L272 VanDerWaalsContact C-N 3.27Å; L272-A276 WeakPolarHBondContact O-CB 3.22Å; L272-A276 PolarHBondContact O-N 2.9Å |
| 273 | Q | 66.1 | Low | 67.3 | Low | 125 Ų | 125 | 100.9 Ų | 100.9 | 58% | 0.584 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.3 | -48.4 | 171.6 | -81.9 | 168.1 | 59.5 | 0 | 0 | 111.9 | Q269 S270 L271 A276 F277 | Q269-Q273 WeakPolarHBondContact O-CB 3.22Å; Q269-Q273 WeakPolarHBondContact O-CG 3.43Å; Q269-Q273 PolarHBondContact O-N 3.01Å; Q269-Q273 VanDerWaalsContact O-N 3.11Å; Q269-Q273 PolarHBondContact O-NE2 3.01Å; S270-Q273 WeakPolarHBondContact O-CB 3.15Å; S270-Q273 PolarHBondContact O-N 3.19Å; L271-Q273 VanDerWaalsContact C-N 3.32Å; Q273-A276 WeakPolarHBondContact O-CB 3.34Å; Q273-A276 PolarHBondContact O-N 3.31Å; Q273-F277 WeakPolarHBondContact O-CD2 3.13Å |
| 274 | F | 77.4 | Confident | 69.8 | Low | 11 Ų | 11 | 91.1 Ų | 91.1 | 5% | 0.048 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 177.4 | -174.5 | -95 | 0 | 0 | 0 | 111.3 | L245 I247 I251 S270 L271 A276 F277 F278 M295 L302 V305 I306 | L245-F274 HydrophobicContact CD2-CD2 4.04Å; L245-F274 HydrophobicContact CD2-CE2 3.55Å; L245-F274 HydrophobicContact CD2-CZ 4.16Å; I247-F274 HydrophobicContact CD1-CE2 4.21Å; I251-F274 HydrophobicContact CG2-CD2 4.48Å; S270-F274 PolarHBondContact O-N 2.96Å; L271-F274 PolarHBondContact O-N 3.3Å; F274-A276 VanDerWaalsContact C-N 3.3Å; F274-A276 PolarHBondContact O-N 2.67Å; F274-F277 PolarHBondContact O-N 3.34Å; F274-F278 HydrophobicContact CD1-CE2 4.06Å; F274-F278 HydrophobicContact CE1-CD2 4.35Å; F274-F278 AromaticContact CE1-CE2 3.6Å; F274-F278 HydrophobicContact CE1-CE2 3.6Å; F274-F278 HydrophobicContact CE1-CZ 4.34Å; F274-F278 HydrophobicContact CE2-CE2 4.36Å; F274-F278 AromaticContact CZ-CE2 3.76Å; F274-F278 HydrophobicContact CZ-CE2 3.76Å; F274-F278 HydrophobicContact CZ-CZ 4.19Å; F274-F278 VanDerWaalsContact O-CD2 3.28Å; F274-F278 WeakPolarHBondContact O-CD2 3.37Å; F274-M295 HydrophobicContact CE2-CE 4.33Å; F274-M295 HydrophobicContact CZ-CE 4.11Å; F274-L302 HydrophobicContact CB-CD2 4.35Å; F274-L302 HydrophobicContact CD1-CD2 3.7Å; F274-L302 HydrophobicContact CD2-CD2 4.03Å; F274-L302 HydrophobicContact CE1-CB 4.11Å; F274-L302 HydrophobicContact CE1-CD2 3.94Å; F274-L302 HydrophobicContact CE2-CD2 4.22Å; F274-L302 HydrophobicContact CG-CD2 3.76Å; F274-L302 HydrophobicContact CZ-CB 4.15Å; F274-L302 HydrophobicContact CZ-CD2 4.19Å; F274-V305 HydrophobicContact CD1-CB 4.14Å; F274-V305 HydrophobicContact CD1-CG1 3.84Å; F274-V305 HydrophobicContact CE1-CB 4.04Å; F274-V305 HydrophobicContact CE1-CG1 3.91Å; F274-I306 HydrophobicContact CE1-CG1 4.19Å; F274-I306 HydrophobicContact CZ-CD1 4.13Å; F274-I306 HydrophobicContact CZ-CG1 4.12Å |
| 275 | R | 81.5 | Confident | 72.3 | Confident | 75 Ų | 75 | 82 Ų | 82 | 28% | 0.283 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.9 | -33 | 178.1 | -172.4 | 175.2 | 178.7 | 96.9 | 2.7 | 112.4 | L271 F277 F278 Q279 V305 E308 | L271-R275 WeakPolarHBondContact O-CB 3.48Å; L271-R275 PolarHBondContact O-N 3.27Å; R275-F277 VanDerWaalsContact C-N 3.25Å; R275-F277 PolarHBondContact O-N 3.29Å; R275-F278 PolarHBondContact O-N 3.4Å; R275-Q279 WeakPolarHBondContact O-CG 3.43Å; R275-Q279 PolarHBondContact O-N 2.93Å; R275-Q279 PolarHBondContact O-NE2 3.19Å; R275-V305 HydrophobicContact CB-CG1 4.13Å; R275-V305 HydrophobicContact CG-CG1 4.16Å; R275-E308 IonicContact CZ-OE1 2.75Å; R275-E308 IonicContact CZ-OE2 3.4Å; R275-E308 IonicContact NH1-OE1 2.84Å; R275-E308 IonicContact NH1-OE2 3.86Å; R275-E308 PolarHBondContact NH1-OE2 3.45Å; R275-E308 VanDerWaalsContact NH2-CD 3.3Å; R275-E308 IonicContact NH2-OE1 3.77Å; R275-E308 PolarHBondContact NH2-OE1 3.48Å; R275-E308 IonicContact NH2-OE2 3.23Å; R275-E308 PolarHBondContact NH2-OE2 3Å |
| 276 | A | 77.7 | Confident | 74.9 | Confident | 57 Ų | 57 | 75.6 Ų | 75.6 | 47% | 0.471 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.7 | -33.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L272 Q273 F274 F278 Q279 | L272-A276 WeakPolarHBondContact O-CB 3.22Å; L272-A276 PolarHBondContact O-N 2.9Å; Q273-A276 WeakPolarHBondContact O-CB 3.34Å; Q273-A276 PolarHBondContact O-N 3.31Å; F274-A276 VanDerWaalsContact C-N 3.3Å; F274-A276 PolarHBondContact O-N 2.67Å; A276-F278 PolarHBondContact O-N 2.94Å; A276-F278 VanDerWaalsContact O-N 3.14Å; A276-Q279 PolarHBondContact O-N 2.75Å |
| 277 | F | 80.9 | Confident | 77.3 | Confident | 88 Ų | 88 | 68.1 Ų | 68.1 | 39% | 0.386 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19 | 174 | -81.6 | -85.6 | 0 | 0 | 0 | 113.8 | A243 L245 Q273 F274 R275 V285 | A243-F277 HydrophobicContact CB-CD1 4.31Å; L245-F277 HydrophobicContact CD1-CD1 4.33Å; L245-F277 HydrophobicContact CD1-CD2 4.04Å; L245-F277 HydrophobicContact CD1-CE1 4.31Å; L245-F277 HydrophobicContact CD1-CE2 4.04Å; L245-F277 HydrophobicContact CD1-CG 4.2Å; L245-F277 HydrophobicContact CD1-CZ 4.18Å; L245-F277 HydrophobicContact CD2-CB 4.5Å; Q273-F277 WeakPolarHBondContact O-CD2 3.13Å; F274-F277 PolarHBondContact O-N 3.34Å; R275-F277 VanDerWaalsContact C-N 3.25Å; R275-F277 PolarHBondContact O-N 3.29Å; F277-V285 WeakPolarHBondContact O-CG2 3.25Å |
| 278 | F | 87.2 | Confident | 79.8 | Confident | 8 Ų | 8 | 59.9 Ų | 59.9 | 4% | 0.035 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 4.9 | -179 | -57.3 | -86.4 | 0 | 0 | 0 | 113.2 | L245 F274 R275 A276 V285 L287 V305 I306 A309 L314 V316 | L245-F278 HydrophobicContact CD2-CE2 3.97Å; L245-F278 HydrophobicContact CD2-CZ 3.95Å; F274-F278 HydrophobicContact CD1-CE2 4.06Å; F274-F278 HydrophobicContact CE1-CD2 4.35Å; F274-F278 AromaticContact CE1-CE2 3.6Å; F274-F278 HydrophobicContact CE1-CE2 3.6Å; F274-F278 HydrophobicContact CE1-CZ 4.34Å; F274-F278 HydrophobicContact CE2-CE2 4.36Å; F274-F278 AromaticContact CZ-CE2 3.76Å; F274-F278 HydrophobicContact CZ-CE2 3.76Å; F274-F278 HydrophobicContact CZ-CZ 4.19Å; F274-F278 VanDerWaalsContact O-CD2 3.28Å; F274-F278 WeakPolarHBondContact O-CD2 3.37Å; R275-F278 PolarHBondContact O-N 3.4Å; A276-F278 PolarHBondContact O-N 2.94Å; A276-F278 VanDerWaalsContact O-N 3.14Å; F278-V285 HydrophobicContact CD1-CB 4.46Å; F278-V285 HydrophobicContact CD1-CG2 3.94Å; F278-V285 HydrophobicContact CE1-CB 4.05Å; F278-V285 HydrophobicContact CE1-CG1 4.02Å; F278-V285 HydrophobicContact CE1-CG2 3.98Å; F278-V285 HydrophobicContact CZ-CG1 4.35Å; F278-L287 HydrophobicContact CE1-CD1 4.13Å; F278-L287 HydrophobicContact CZ-CD1 3.95Å; F278-V305 HydrophobicContact CD2-CG1 3.91Å; F278-V305 HydrophobicContact CE2-CG1 4.43Å; F278-I306 HydrophobicContact CE1-CG1 4.28Å; F278-I306 HydrophobicContact CE2-CG1 4.42Å; F278-I306 HydrophobicContact CZ-CG1 3.88Å; F278-A309 HydrophobicContact CB-CB 3.72Å; F278-A309 HydrophobicContact CD1-CB 3.75Å; F278-A309 HydrophobicContact CG-CB 3.98Å; F278-L314 HydrophobicContact CB-CD1 4.34Å; F278-L314 HydrophobicContact CD1-CD2 4.1Å; F278-V316 HydrophobicContact CD1-CG2 4.47Å; F278-V316 HydrophobicContact CE1-CG2 4.16Å |
| 279 | Q | 84.5 | Confident | 81.8 | Confident | 81 Ų | 81 | 54 Ų | 54 | 38% | 0.379 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -85.3 | 154.9 | 176.9 | -66.5 | -48.2 | -74.5 | 0 | 0 | 111.7 | R275 A276 I282 | R275-Q279 WeakPolarHBondContact O-CG 3.43Å; R275-Q279 PolarHBondContact O-N 2.93Å; R275-Q279 PolarHBondContact O-NE2 3.19Å; A276-Q279 PolarHBondContact O-N 2.75Å; Q279-I282 WeakPolarHBondContact O-CB 3.32Å; Q279-I282 PolarHBondContact O-N 2.81Å; Q279-I282 VanDerWaalsContact O-N 3.1Å |
| 280 | P | 87.4 | Confident | 83.9 | Confident | 111 Ų | 111 | 49.3 Ų | 49.3 | 72% | 0.721 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 143.2 | 168.9 | -26.5 | 35.4 | 0 | 0 | 0 | 112 | ||
| 281 | P | 92.3 | Very high | 85.9 | Confident | 91 Ų | 91 | 49.5 Ų | 49.5 | 59% | 0.591 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -85.6 | 2.8 | 11.4 | 35 | -36.8 | 0 | 0 | 0 | 115.3 | N241 R283 | N241-P281 WeakPolarHBondContact CB-O 3.45Å; P281-R283 WeakPolarHBondContact O-CG 3.38Å; P281-R283 PolarHBondContact O-N 2.8Å |
| 282 | I | 94.3 | Very high | 87.3 | Confident | 41 Ų | 41 | 48.8 Ų | 48.8 | 21% | 0.21 | 26% | 0.262 | C | S | . | . | trans | -59.2 | 130.9 | -177.2 | -56.5 | -59.5 | 0 | 0 | 0 | 111.2 | A243 Q279 G284 V285 L314 | A243-I282 HydrophobicContact CB-CD1 4.28Å; A243-I282 HydrophobicContact CB-CG2 4.45Å; Q279-I282 WeakPolarHBondContact O-CB 3.32Å; Q279-I282 PolarHBondContact O-N 2.81Å; Q279-I282 VanDerWaalsContact O-N 3.1Å; I282-G284 WeakPolarHBondContact CG2-O 3.35Å; I282-V285 HydrophobicContact CG2-CG2 3.8Å; I282-L314 HydrophobicContact CG2-CD1 4.17Å; I282-L314 WeakPolarHBondContact O-CD1 3.49Å | ||
| 283 | R | 95.6 | Very high | 88.8 | Confident | 115 Ų | 115 | 44.5 Ų | 44.5 | 43% | 0.434 | 24% | 0.24 | S | C | . | . | trans | -115.9 | -15.2 | 179.7 | -61.9 | -161.6 | -67 | -177.6 | -9.5 | 113.5 | D239 N241 P281 I315 L361 | D239-R283 IonicContact OD1-CZ 2.67Å; D239-R283 IonicContact OD1-NE 3.76Å; D239-R283 IonicContact OD1-NH2 3.02Å; D239-R283 PolarHBondContact OD1-NH2 3.1Å; D239-R283 IonicContact OD2-CZ 3.71Å; D239-R283 IonicContact OD2-NE 3.95Å; D239-R283 PolarHBondContact OD2-NE 2.92Å; D239-R283 IonicContact OD2-NH2 3.66Å; D239-R283 PolarHBondContact OD2-NH2 3.07Å; N241-R283 HydrophobicContact CB-CB 4.44Å; N241-R283 HydrophobicContact CB-CG 4.19Å; N241-R283 PolarHBondContact O-N 3.25Å; P281-R283 WeakPolarHBondContact O-CG 3.38Å; P281-R283 PolarHBondContact O-N 2.8Å; R283-I315 PolarHBondContact O-N 3.37Å; R283-I315 VanDerWaalsContact O-N 3.1Å; R283-L361 HydrophobicContact CB-CD1 4.06Å; R283-L361 HydrophobicContact CB-CD2 4.27Å | ||
| 284 | G | 96.8 | Very high | 90 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 151.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | N241 I242 A243 I282 I315 | N241-G284 PolarHBondContact O-N 3.23Å; I242-G284 VanDerWaalsContact CA-O 3.28Å; I242-G284 WeakPolarHBondContact CA-O 3.43Å; A243-G284 PolarHBondContact N-O 3.07Å; I282-G284 WeakPolarHBondContact CG2-O 3.35Å; G284-I315 CarbonylContact C-O 3.53Å; G284-I315 WeakPolarHBondContact CA-O 3.31Å |
| 285 | V | 96.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 129.7 | -179 | 174.9 | 0 | 0 | 0 | 0 | 109.7 | A243 L245 F277 F278 I282 L287 L314 I315 V316 V317 | A243-V285 HydrophobicContact CB-CG2 4.36Å; A243-V285 CarbonylContact O-C 3.56Å; A243-V285 WeakPolarHBondContact O-CA 3.3Å; L245-V285 HydrophobicContact CB-CG1 4.1Å; F277-V285 WeakPolarHBondContact O-CG2 3.25Å; F278-V285 HydrophobicContact CD1-CB 4.46Å; F278-V285 HydrophobicContact CD1-CG2 3.94Å; F278-V285 HydrophobicContact CE1-CB 4.05Å; F278-V285 HydrophobicContact CE1-CG1 4.02Å; F278-V285 HydrophobicContact CE1-CG2 3.98Å; F278-V285 HydrophobicContact CZ-CG1 4.35Å; I282-V285 HydrophobicContact CG2-CG2 3.8Å; V285-L287 HydrophobicContact CG1-CD1 4.22Å; V285-L314 HydrophobicContact CB-CD2 4.24Å; V285-L314 HydrophobicContact CG2-CD2 3.96Å; V285-I315 PolarHBondContact N-O 3.12Å; V285-V316 CarbonylContact O-C 3.59Å; V285-V316 WeakPolarHBondContact O-CA 3.38Å; V285-V317 PolarHBondContact O-N 2.86Å |
| 286 | V | 96.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 117.9 | 162.9 | 178 | 0 | 0 | 0 | 0 | 107.9 | A243 L244 L245 V317 C319 A353 L354 L357 | A243-V286 PolarHBondContact O-N 3.01Å; L244-V286 WeakPolarHBondContact CA-O 3.33Å; L244-V286 HydrophobicContact CD1-CB 3.9Å; L244-V286 HydrophobicContact CD1-CG1 3.77Å; L245-V286 PolarHBondContact N-O 3.44Å; V286-V317 CarbonylContact C-O 3.52Å; V286-V317 WeakPolarHBondContact CA-O 3.3Å; V286-C319 HydrophobicContact CG1-CB 4.18Å; V286-A353 HydrophobicContact CG1-CB 3.98Å; V286-A353 HydrophobicContact CG2-CB 3.93Å; V286-L354 HydrophobicContact CB-CD2 3.98Å; V286-L354 HydrophobicContact CB-CG 4.3Å; V286-L354 HydrophobicContact CG2-CD2 3.71Å; V286-L354 HydrophobicContact CG2-CG 3.95Å; V286-L357 HydrophobicContact CG2-CD2 3.91Å |
| 287 | L | 94.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 119.7 | 176 | -111.1 | 125.4 | 0 | 0 | 0 | 108.9 | L245 I247 F278 V285 T289 M295 I306 V316 V317 C319 | L245-L287 CarbonylContact O-C 3.56Å; L245-L287 WeakPolarHBondContact O-CA 3.28Å; I247-L287 HydrophobicContact CD1-CD2 3.66Å; I247-L287 HydrophobicContact CG1-CD2 3.66Å; F278-L287 HydrophobicContact CE1-CD1 4.13Å; F278-L287 HydrophobicContact CZ-CD1 3.95Å; V285-L287 HydrophobicContact CG1-CD1 4.22Å; L287-T289 HydrophobicContact CB-CG2 4.4Å; L287-T289 HydrophobicContact CD2-CG2 4.11Å; L287-M295 HydrophobicContact CD2-SD 4.23Å; L287-I306 HydrophobicContact CD1-CD1 4.15Å; L287-I306 HydrophobicContact CD1-CG1 4.49Å; L287-I306 HydrophobicContact CD2-CD1 4.31Å; L287-V316 HydrophobicContact CB-CG1 4.48Å; L287-V316 HydrophobicContact CD1-CG1 3.23Å; L287-V316 HydrophobicContact CG-CG1 4.45Å; L287-V317 PolarHBondContact N-O 3.21Å; L287-C319 PolarHBondContact O-N 2.86Å |
| 288 | Q | 95 | Very high | 91 | Very high | 15 Ų | 15 | 38.8 Ų | 38.8 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 112.8 | 169.2 | -56.3 | -167.7 | -82.3 | 0 | 0 | 110.5 | L244 L245 R246 I247 C319 Q321 V350 | L244-Q288 HydrophobicContact CD1-CG 3.75Å; L245-Q288 PolarHBondContact O-N 3.06Å; R246-Q288 HydrophobicContact CB-CB 4.41Å; R246-Q288 HydrophobicContact CG-CB 4.2Å; I247-Q288 WeakPolarHBondContact CB-O 3.44Å; I247-Q288 PolarHBondContact N-O 3.17Å; Q288-C319 CarbonylContact C-O 3.56Å; Q288-C319 VanDerWaalsContact CA-O 3.28Å; Q288-C319 WeakPolarHBondContact CA-O 3.11Å; Q288-Q321 HydrophobicContact CB-CG 3.68Å; Q288-Q321 PolarHBondContact O-NE2 3.45Å; Q288-V350 HydrophobicContact CG-CG2 4.2Å |
| 289 | T | 94.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 171.3 | -175 | 63.1 | 0 | 0 | 0 | 0 | 112.1 | I247 L287 G293 N294 N318 C319 Q321 L337 | I247-T289 HydrophobicContact CG1-CG2 4.38Å; L287-T289 HydrophobicContact CB-CG2 4.4Å; L287-T289 HydrophobicContact CD2-CG2 4.11Å; T289-G293 WeakPolarHBondContact OG1-CA 3.09Å; T289-G293 PolarHBondContact OG1-O 3.06Å; T289-N294 WeakPolarHBondContact CB-O 3.49Å; T289-N318 WeakPolarHBondContact CB-OD1 3.28Å; T289-N318 WeakPolarHBondContact CG2-OD1 3.46Å; T289-N318 PolarHBondContact OG1-OD1 2.94Å; T289-C319 PolarHBondContact N-O 3.19Å; T289-C319 PolarHBondContact OG1-O 3.35Å; T289-Q321 WeakPolarHBondContact O-CB 3.49Å; T289-Q321 VanDerWaalsContact O-CG 3.25Å; T289-Q321 WeakPolarHBondContact O-CG 3.37Å; T289-Q321 PolarHBondContact O-N 3.22Å; T289-L337 HydrophobicContact CG2-CD1 3.89Å |
| 290 | F | 93.5 | Very high | 90.8 | Very high | 55 Ų | 55 | 40.7 Ų | 40.7 | 24% | 0.241 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -78 | 142.3 | -172.9 | -52.3 | -54.5 | 0 | 0 | 0 | 112.3 | I247 P249 A292 G293 N294 P296 | I247-F290 HydrophobicContact CB-CZ 4.36Å; I247-F290 HydrophobicContact CG2-CE1 4.3Å; I247-F290 HydrophobicContact CG2-CE2 3.73Å; I247-F290 HydrophobicContact CG2-CZ 3.59Å; I247-F290 WeakPolarHBondContact O-CE1 3.3Å; P249-F290 HydrophobicContact CG-CE1 4.49Å; P249-F290 HydrophobicContact CG-CZ 4.18Å; F290-A292 PolarHBondContact O-N 3.05Å; F290-G293 PolarHBondContact O-N 3.46Å; F290-N294 WeakPolarHBondContact CD2-O 3.18Å; F290-N294 PolarHBondContact N-O 3.19Å; F290-N294 WeakPolarHBondContact O-CB 3.33Å; F290-N294 PolarHBondContact O-N 3.05Å; F290-P296 HydrophobicContact CE2-CG 4.36Å |
| 291 | G | 91.9 | Very high | 90.6 | Very high | 35 Ų | 35 | 36.5 Ų | 36.5 | 36% | 0.361 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | -125.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G293 S320 | G291-G293 PolarHBondContact O-N 3.28Å; G291-G293 VanDerWaalsContact O-N 3.08Å; G291-S320 WeakPolarHBondContact O-CB 3.3Å; G291-S320 PolarHBondContact O-OG 3.26Å |
| 292 | A | 89.6 | Confident | 90.4 | Very high | 25 Ų | 25 | 32.2 Ų | 32.2 | 21% | 0.207 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 17.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | F290 V327 D328 Y331 | F290-A292 PolarHBondContact O-N 3.05Å; A292-V327 CarbonylContact O-C 3.55Å; A292-V327 VanDerWaalsContact O-CA 3.31Å; A292-V327 WeakPolarHBondContact O-CA 3.49Å; A292-D328 HydrophobicContact CB-CB 4.29Å; A292-D328 PolarHBondContact O-N 3.01Å; A292-Y331 HydrophobicContact CB-CD2 4.18Å; A292-Y331 HydrophobicContact CB-CE2 4.05Å |
| 293 | G | 90.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 114.8 | 22.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | T289 F290 G291 N318 | T289-G293 WeakPolarHBondContact OG1-CA 3.09Å; T289-G293 PolarHBondContact OG1-O 3.06Å; F290-G293 PolarHBondContact O-N 3.46Å; G291-G293 PolarHBondContact O-N 3.28Å; G291-G293 VanDerWaalsContact O-N 3.08Å; G293-N318 PolarHBondContact O-ND2 3.27Å |
| 294 | N | 91.1 | Very high | 89.8 | Confident | 28 Ų | 28 | 30.8 Ų | 30.8 | 15% | 0.15 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -94.9 | 141.1 | -163.6 | -63.5 | -46.3 | 0 | 0 | 0 | 113.3 | T289 F290 Y331 T333 G334 | T289-N294 WeakPolarHBondContact CB-O 3.49Å; F290-N294 WeakPolarHBondContact CD2-O 3.18Å; F290-N294 PolarHBondContact N-O 3.19Å; F290-N294 WeakPolarHBondContact O-CB 3.33Å; F290-N294 PolarHBondContact O-N 3.05Å; N294-Y331 WeakPolarHBondContact OD1-CB 3.38Å; N294-T333 WeakPolarHBondContact CB-OG1 3.41Å; N294-T333 PolarHBondContact OD1-OG1 2.79Å; N294-G334 PolarHBondContact OD1-N 3.01Å |
| 295 | M | 88 | Confident | 89.5 | Confident | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.015 | 17% | 0.174 | C | C | . | . | trans | -126.7 | 153.8 | 171.1 | -169 | 165.7 | 178.8 | 0 | 0 | 110.1 | I247 F274 L287 S297 L302 I303 I306 T333 L337 | I247-M295 HydrophobicContact CD1-CE 3.92Å; I247-M295 HydrophobicContact CD1-SD 4.36Å; I247-M295 HydrophobicContact CG1-SD 4.46Å; F274-M295 HydrophobicContact CE2-CE 4.33Å; F274-M295 HydrophobicContact CZ-CE 4.11Å; L287-M295 HydrophobicContact CD2-SD 4.23Å; M295-S297 PolarHBondContact O-N 3.32Å; M295-L302 HydrophobicContact CE-CB 3.72Å; M295-L302 HydrophobicContact CE-CD1 3.62Å; M295-L302 HydrophobicContact CE-CG 4.31Å; M295-I303 HydrophobicContact SD-CD1 4.14Å; M295-I306 HydrophobicContact CE-CD1 4.28Å; M295-I306 HydrophobicContact SD-CD1 3.92Å; M295-T333 PolarHBondContact N-O 3.28Å; M295-T333 WeakPolarHBondContact O-CB 2.85Å; M295-L337 HydrophobicContact CB-CD1 4.11Å; M295-L337 HydrophobicContact CB-CD2 4.39Å; M295-L337 HydrophobicContact CB-CG 4.38Å; M295-L337 HydrophobicContact SD-CD2 3.97Å | ||
| 296 | P | 85.3 | Confident | 89.2 | Confident | 36 Ų | 36 | 31.1 Ų | 31.1 | 23% | 0.234 | 17% | 0.174 | C | C | . | . | trans | -59.1 | 111.9 | 180 | -25.8 | 36.2 | 0 | 0 | 0 | 112.2 | F290 H298 R299 | F290-P296 HydrophobicContact CE2-CG 4.36Å; P296-H298 VanDerWaalsContact C-N 3.27Å; P296-H298 PolarHBondContact O-N 3.05Å; P296-R299 HydrophobicContact CB-CB 4.44Å; P296-R299 HydrophobicContact CB-CG 3.95Å; P296-R299 WeakPolarHBondContact O-CB 3.36Å; P296-R299 PolarHBondContact O-N 3.37Å | ||
| 297 | S | 82.9 | Confident | 89.1 | Confident | 39 Ų | 39 | 34.2 Ų | 34.2 | 27% | 0.273 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -20.7 | -175.9 | 52 | 0 | 0 | 0 | 0 | 114.5 | M295 R299 | M295-S297 PolarHBondContact O-N 3.32Å; S297-R299 PolarHBondContact O-N 2.92Å |
| 298 | H | 83.8 | Confident | 89 | Confident | 130 Ų | 130 | 37.1 Ų | 37.1 | 60% | 0.602 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 7.4 | 176.8 | 62.3 | -90.6 | 0 | 0 | 0 | 113.7 | P296 | P296-H298 VanDerWaalsContact C-N 3.27Å; P296-H298 PolarHBondContact O-N 3.05Å |
| 299 | R | 83.4 | Confident | 88.9 | Confident | 21 Ų | 21 | 36.7 Ų | 36.7 | 8% | 0.079 | 20% | 0.201 | C | C | . | . | trans | -107.7 | 59.4 | -179.8 | -68.1 | -62.1 | -58.7 | -85 | 1.3 | 111.1 | I251 P252 P296 S297 D301 L302 I303 | I251-R299 PolarHBondContact O-NH1 2.65Å; P252-R299 PolarHBondContact O-NH2 2.8Å; P296-R299 HydrophobicContact CB-CB 4.44Å; P296-R299 HydrophobicContact CB-CG 3.95Å; P296-R299 WeakPolarHBondContact O-CB 3.36Å; P296-R299 PolarHBondContact O-N 3.37Å; S297-R299 PolarHBondContact O-N 2.92Å; R299-D301 WeakPolarHBondContact CA-OD1 3.35Å; R299-D301 IonicContact CZ-OD1 3.54Å; R299-D301 IonicContact CZ-OD2 3.87Å; R299-D301 IonicContact NE-OD1 2.8Å; R299-D301 PolarHBondContact NE-OD1 3.45Å; R299-D301 IonicContact NE-OD2 2.87Å; R299-D301 PolarHBondContact NE-OD2 2.91Å; R299-D301 IonicContact NH2-OD1 3.43Å; R299-D301 IonicContact NH2-OD2 3.13Å; R299-D301 PolarHBondContact NH2-OD2 3.26Å; R299-D301 PolarHBondContact O-N 3.47Å; R299-D301 VanDerWaalsContact O-N 3.13Å; R299-L302 HydrophobicContact CB-CB 4.3Å; R299-L302 HydrophobicContact CB-CD1 3.98Å; R299-L302 HydrophobicContact CB-CG 4.08Å; R299-L302 HydrophobicContact CG-CD1 4.31Å; R299-L302 PolarHBondContact O-N 3.24Å; R299-I303 PolarHBondContact O-N 3.36Å; R299-I303 VanDerWaalsContact O-N 3.16Å | ||
| 300 | D | 84.5 | Confident | 89 | Confident | 107 Ų | 107 | 37.2 Ų | 37.2 | 57% | 0.572 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -51.9 | -34.9 | 176.1 | -56.4 | -24.3 | 0 | 0 | 0 | 111.4 | L302 I303 D304 | D300-L302 VanDerWaalsContact C-N 3.28Å; D300-L302 PolarHBondContact O-N 2.82Å; D300-I303 PolarHBondContact O-N 3.41Å; D300-D304 VanDerWaalsContact O-CB 3.25Å; D300-D304 WeakPolarHBondContact O-CB 3.29Å; D300-D304 PolarHBondContact O-N 3Å |
| 301 | D | 82.4 | Confident | 89.1 | Confident | 23 Ų | 23 | 42.3 Ų | 42.3 | 12% | 0.123 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.3 | -36.4 | 175.5 | 60.5 | -57.5 | 0 | 0 | 0 | 113.7 | L271 R299 V305 | L271-D301 HydrophobicContact CD1-CB 4.49Å; R299-D301 WeakPolarHBondContact CA-OD1 3.35Å; R299-D301 IonicContact CZ-OD1 3.54Å; R299-D301 IonicContact CZ-OD2 3.87Å; R299-D301 IonicContact NE-OD1 2.8Å; R299-D301 PolarHBondContact NE-OD1 3.45Å; R299-D301 IonicContact NE-OD2 2.87Å; R299-D301 PolarHBondContact NE-OD2 2.91Å; R299-D301 IonicContact NH2-OD1 3.43Å; R299-D301 IonicContact NH2-OD2 3.13Å; R299-D301 PolarHBondContact NH2-OD2 3.26Å; R299-D301 PolarHBondContact O-N 3.47Å; R299-D301 VanDerWaalsContact O-N 3.13Å; D301-V305 WeakPolarHBondContact O-CG2 3.28Å |
| 302 | L | 87.5 | Confident | 89.1 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -81.8 | -40.4 | 177.1 | -59.3 | -178.3 | 0 | 0 | 0 | 111.5 | I251 L271 F274 M295 R299 D300 D304 V305 I306 | I251-L302 HydrophobicContact CB-CD1 4.43Å; I251-L302 HydrophobicContact CG2-CD1 4.07Å; I251-L302 HydrophobicContact CG2-CD2 4.26Å; L271-L302 HydrophobicContact CD1-CD2 4.03Å; F274-L302 HydrophobicContact CB-CD2 4.35Å; F274-L302 HydrophobicContact CD1-CD2 3.7Å; F274-L302 HydrophobicContact CD2-CD2 4.03Å; F274-L302 HydrophobicContact CE1-CB 4.11Å; F274-L302 HydrophobicContact CE1-CD2 3.94Å; F274-L302 HydrophobicContact CE2-CD2 4.22Å; F274-L302 HydrophobicContact CG-CD2 3.76Å; F274-L302 HydrophobicContact CZ-CB 4.15Å; F274-L302 HydrophobicContact CZ-CD2 4.19Å; M295-L302 HydrophobicContact CE-CB 3.72Å; M295-L302 HydrophobicContact CE-CD1 3.62Å; M295-L302 HydrophobicContact CE-CG 4.31Å; R299-L302 HydrophobicContact CB-CB 4.3Å; R299-L302 HydrophobicContact CB-CD1 3.98Å; R299-L302 HydrophobicContact CB-CG 4.08Å; R299-L302 HydrophobicContact CG-CD1 4.31Å; R299-L302 PolarHBondContact O-N 3.24Å; D300-L302 VanDerWaalsContact C-N 3.28Å; D300-L302 PolarHBondContact O-N 2.82Å; L302-D304 VanDerWaalsContact C-N 3.33Å; L302-V305 PolarHBondContact O-N 3.46Å; L302-I306 WeakPolarHBondContact O-CG1 3.36Å; L302-I306 PolarHBondContact O-N 3.45Å; L302-I306 VanDerWaalsContact O-N 3.15Å |
| 303 | I | 88.8 | Confident | 89.4 | Confident | 22 Ų | 22 | 46.4 Ų | 46.4 | 11% | 0.113 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.5 | -39.8 | 178.9 | -58.7 | -58.7 | 0 | 0 | 0 | 110.5 | M295 R299 D300 V305 I306 H307 I336 L337 A340 | M295-I303 HydrophobicContact SD-CD1 4.14Å; R299-I303 PolarHBondContact O-N 3.36Å; R299-I303 VanDerWaalsContact O-N 3.16Å; D300-I303 PolarHBondContact O-N 3.41Å; I303-V305 VanDerWaalsContact C-N 3.35Å; I303-V305 PolarHBondContact O-N 2.91Å; I303-I306 PolarHBondContact O-N 3.21Å; I303-H307 VanDerWaalsContact O-CB 3.3Å; I303-H307 WeakPolarHBondContact O-CB 3.46Å; I303-H307 PolarHBondContact O-N 2.74Å; I303-I336 HydrophobicContact CD1-CD1 3.82Å; I303-I336 HydrophobicContact CD1-CG1 4.14Å; I303-I336 HydrophobicContact CG1-CD1 4.25Å; I303-L337 HydrophobicContact CD1-CD2 3.92Å; I303-A340 HydrophobicContact CG2-CB 4.07Å |
| 304 | D | 89.2 | Confident | 89.7 | Confident | 103 Ų | 103 | 47 Ų | 47 | 55% | 0.551 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61 | -41.5 | 176.1 | -77.9 | -19.7 | 0 | 0 | 0 | 112 | D300 L302 H307 E308 | D300-D304 VanDerWaalsContact O-CB 3.25Å; D300-D304 WeakPolarHBondContact O-CB 3.29Å; D300-D304 PolarHBondContact O-N 3Å; L302-D304 VanDerWaalsContact C-N 3.33Å; D304-H307 PolarHBondContact O-N 2.98Å; D304-E308 VanDerWaalsContact O-CB 3.29Å; D304-E308 WeakPolarHBondContact O-CB 3.35Å; D304-E308 PolarHBondContact O-N 3.24Å |
| 305 | V | 89.5 | Confident | 90 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.6 | -43.7 | 175.9 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | L271 F274 R275 F278 D301 L302 I303 A309 | L271-V305 HydrophobicContact CD1-CG2 4.39Å; F274-V305 HydrophobicContact CD1-CB 4.14Å; F274-V305 HydrophobicContact CD1-CG1 3.84Å; F274-V305 HydrophobicContact CE1-CB 4.04Å; F274-V305 HydrophobicContact CE1-CG1 3.91Å; R275-V305 HydrophobicContact CB-CG1 4.13Å; R275-V305 HydrophobicContact CG-CG1 4.16Å; F278-V305 HydrophobicContact CD2-CG1 3.91Å; F278-V305 HydrophobicContact CE2-CG1 4.43Å; D301-V305 WeakPolarHBondContact O-CG2 3.28Å; L302-V305 PolarHBondContact O-N 3.46Å; I303-V305 VanDerWaalsContact C-N 3.35Å; I303-V305 PolarHBondContact O-N 2.91Å; V305-A309 WeakPolarHBondContact O-CB 3.36Å; V305-A309 PolarHBondContact O-N 3.47Å |
| 306 | I | 92 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.2 | -46 | 176.8 | -65.9 | 169.4 | 0 | 0 | 0 | 110.2 | F274 F278 L287 M295 L302 I303 E308 A309 V310 V316 L337 A340 V342 | F274-I306 HydrophobicContact CE1-CG1 4.19Å; F274-I306 HydrophobicContact CZ-CD1 4.13Å; F274-I306 HydrophobicContact CZ-CG1 4.12Å; F278-I306 HydrophobicContact CE1-CG1 4.28Å; F278-I306 HydrophobicContact CE2-CG1 4.42Å; F278-I306 HydrophobicContact CZ-CG1 3.88Å; L287-I306 HydrophobicContact CD1-CD1 4.15Å; L287-I306 HydrophobicContact CD1-CG1 4.49Å; L287-I306 HydrophobicContact CD2-CD1 4.31Å; M295-I306 HydrophobicContact CE-CD1 4.28Å; M295-I306 HydrophobicContact SD-CD1 3.92Å; L302-I306 WeakPolarHBondContact O-CG1 3.36Å; L302-I306 PolarHBondContact O-N 3.45Å; L302-I306 VanDerWaalsContact O-N 3.15Å; I303-I306 PolarHBondContact O-N 3.21Å; I306-E308 VanDerWaalsContact C-N 3.35Å; I306-E308 PolarHBondContact O-N 3.27Å; I306-A309 WeakPolarHBondContact O-CB 3.31Å; I306-A309 PolarHBondContact O-N 2.98Å; I306-V310 HydrophobicContact CG2-CG2 4.41Å; I306-V310 WeakPolarHBondContact O-CG2 3.37Å; I306-V310 PolarHBondContact O-N 3.27Å; I306-V316 HydrophobicContact CG2-CG1 4.5Å; I306-L337 HydrophobicContact CD1-CD2 3.95Å; I306-A340 HydrophobicContact CG2-CB 4.5Å; I306-V342 HydrophobicContact CG2-CG2 3.38Å |
| 307 | H | 93.8 | Very high | 90.9 | Very high | 65 Ų | 65 | 43.9 Ų | 43.9 | 30% | 0.301 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.3 | -41.5 | -178.9 | -176.2 | 51.5 | 0 | 0 | 0 | 111.6 | I303 D304 V310 R311 A340 | I303-H307 VanDerWaalsContact O-CB 3.3Å; I303-H307 WeakPolarHBondContact O-CB 3.46Å; I303-H307 PolarHBondContact O-N 2.74Å; D304-H307 PolarHBondContact O-N 2.98Å; H307-V310 PolarHBondContact O-N 2.83Å; H307-R311 PolarHBondContact CD2-NH2 3.48Å; H307-R311 PolarHBondContact NE2-NH2 3.32Å; H307-R311 WeakPolarHBondContact O-CB 3.43Å; H307-R311 PolarHBondContact O-N 3.08Å; H307-A340 HydrophobicContact CB-CB 3.92Å; H307-A340 PolarHBondContact ND1-O 3.16Å |
| 308 | E | 92.8 | Very high | 91.5 | Very high | 61 Ų | 61 | 42.2 Ų | 42.2 | 29% | 0.285 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62 | -45 | 172.8 | -171.4 | -174.1 | 161.6 | 0 | 0 | 111.7 | R275 D304 I306 V310 R311 N312 | R275-E308 IonicContact CZ-OE1 2.75Å; R275-E308 IonicContact CZ-OE2 3.4Å; R275-E308 IonicContact NH1-OE1 2.84Å; R275-E308 IonicContact NH1-OE2 3.86Å; R275-E308 PolarHBondContact NH1-OE2 3.45Å; R275-E308 VanDerWaalsContact NH2-CD 3.3Å; R275-E308 IonicContact NH2-OE1 3.77Å; R275-E308 PolarHBondContact NH2-OE1 3.48Å; R275-E308 IonicContact NH2-OE2 3.23Å; R275-E308 PolarHBondContact NH2-OE2 3Å; D304-E308 VanDerWaalsContact O-CB 3.29Å; D304-E308 WeakPolarHBondContact O-CB 3.35Å; D304-E308 PolarHBondContact O-N 3.24Å; I306-E308 VanDerWaalsContact C-N 3.35Å; I306-E308 PolarHBondContact O-N 3.27Å; E308-V310 PolarHBondContact O-N 3.24Å; E308-R311 WeakPolarHBondContact O-CB 3.46Å; E308-R311 PolarHBondContact O-N 3.29Å; E308-N312 WeakPolarHBondContact O-CB 3.35Å; E308-N312 VanDerWaalsContact O-CG 3.25Å; E308-N312 PolarHBondContact O-N 2.93Å; E308-N312 PolarHBondContact O-ND2 3.1Å |
| 309 | A | 92.9 | Very high | 92 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 5% | 0.05 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.9 | -46.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F278 V305 I306 R311 N312 G313 L314 | F278-A309 HydrophobicContact CB-CB 3.72Å; F278-A309 HydrophobicContact CD1-CB 3.75Å; F278-A309 HydrophobicContact CG-CB 3.98Å; V305-A309 WeakPolarHBondContact O-CB 3.36Å; V305-A309 PolarHBondContact O-N 3.47Å; I306-A309 WeakPolarHBondContact O-CB 3.31Å; I306-A309 PolarHBondContact O-N 2.98Å; A309-R311 VanDerWaalsContact C-N 3.33Å; A309-R311 PolarHBondContact O-N 2.86Å; A309-N312 CarbonylContact O-C 3.57Å; A309-N312 PolarHBondContact O-N 2.95Å; A309-G313 PolarHBondContact O-N 2.82Å; A309-L314 HydrophobicContact CB-CB 4.28Å; A309-L314 HydrophobicContact CB-CD1 4.47Å; A309-L314 WeakPolarHBondContact O-CB 3.4Å; A309-L314 PolarHBondContact O-N 2.79Å; A309-L314 VanDerWaalsContact O-N 3.09Å |
| 310 | V | 95.6 | Very high | 92.5 | Very high | 12 Ų | 12 | 35.9 Ų | 35.9 | 7% | 0.073 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.5 | -40.8 | 177.4 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | I306 H307 E308 N312 G313 L314 V316 G341 | I306-V310 HydrophobicContact CG2-CG2 4.41Å; I306-V310 WeakPolarHBondContact O-CG2 3.37Å; I306-V310 PolarHBondContact O-N 3.27Å; H307-V310 PolarHBondContact O-N 2.83Å; E308-V310 PolarHBondContact O-N 3.24Å; V310-N312 VanDerWaalsContact C-N 3.26Å; V310-N312 PolarHBondContact O-N 2.81Å; V310-G313 PolarHBondContact O-N 2.83Å; V310-L314 WeakPolarHBondContact CA-O 3.49Å; V310-V316 HydrophobicContact CG2-CB 4.06Å; V310-V316 HydrophobicContact CG2-CG2 3.62Å; V310-G341 WeakPolarHBondContact CG1-O 3.08Å |
| 311 | R | 95 | Very high | 93.1 | Very high | 161 Ų | 161 | 33 Ų | 33 | 61% | 0.608 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -62.3 | -35.3 | 176.2 | -166.5 | -170.3 | -52.4 | 142.8 | 2.7 | 112 | H307 E308 A309 G313 | H307-R311 PolarHBondContact CD2-NH2 3.48Å; H307-R311 PolarHBondContact NE2-NH2 3.32Å; H307-R311 WeakPolarHBondContact O-CB 3.43Å; H307-R311 PolarHBondContact O-N 3.08Å; E308-R311 WeakPolarHBondContact O-CB 3.46Å; E308-R311 PolarHBondContact O-N 3.29Å; A309-R311 VanDerWaalsContact C-N 3.33Å; A309-R311 PolarHBondContact O-N 2.86Å; R311-G313 PolarHBondContact O-N 3.3Å |
| 312 | N | 93.5 | Very high | 93.7 | Very high | 119 Ų | 119 | 35 Ų | 35 | 64% | 0.636 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 8.8 | 175.9 | -66.3 | -19.9 | 0 | 0 | 0 | 113.5 | E308 A309 V310 | E308-N312 WeakPolarHBondContact O-CB 3.35Å; E308-N312 VanDerWaalsContact O-CG 3.25Å; E308-N312 PolarHBondContact O-N 2.93Å; E308-N312 PolarHBondContact O-ND2 3.1Å; A309-N312 CarbonylContact O-C 3.57Å; A309-N312 PolarHBondContact O-N 2.95Å; V310-N312 VanDerWaalsContact C-N 3.26Å; V310-N312 PolarHBondContact O-N 2.81Å |
| 313 | G | 95 | Very high | 93.9 | Very high | 28 Ų | 28 | 39.4 Ų | 39.4 | 29% | 0.289 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | 3.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A309 V310 R311 L368 | A309-G313 PolarHBondContact O-N 2.82Å; V310-G313 PolarHBondContact O-N 2.83Å; R311-G313 PolarHBondContact O-N 3.3Å; G313-L368 WeakPolarHBondContact O-CD1 3.37Å |
| 314 | L | 95.9 | Very high | 94.1 | Very high | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.063 | 24% | 0.237 | C | C | . | . | trans | -71.9 | 133.3 | 175.7 | -164 | 146.2 | 0 | 0 | 0 | 110 | F278 I282 V285 A309 V310 V316 | F278-L314 HydrophobicContact CB-CD1 4.34Å; F278-L314 HydrophobicContact CD1-CD2 4.1Å; I282-L314 HydrophobicContact CG2-CD1 4.17Å; I282-L314 WeakPolarHBondContact O-CD1 3.49Å; V285-L314 HydrophobicContact CB-CD2 4.24Å; V285-L314 HydrophobicContact CG2-CD2 3.96Å; A309-L314 HydrophobicContact CB-CB 4.28Å; A309-L314 HydrophobicContact CB-CD1 4.47Å; A309-L314 WeakPolarHBondContact O-CB 3.4Å; A309-L314 PolarHBondContact O-N 2.79Å; A309-L314 VanDerWaalsContact O-N 3.09Å; V310-L314 WeakPolarHBondContact CA-O 3.49Å; L314-V316 HydrophobicContact CD2-CG2 3.38Å | ||
| 315 | I | 97.4 | Very high | 94 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 115.2 | 176.6 | -61.2 | -178.1 | 0 | 0 | 0 | 109 | R283 G284 V285 V317 L343 L357 L361 L368 K371 K372 M375 | R283-I315 PolarHBondContact O-N 3.37Å; R283-I315 VanDerWaalsContact O-N 3.1Å; G284-I315 CarbonylContact C-O 3.53Å; G284-I315 WeakPolarHBondContact CA-O 3.31Å; V285-I315 PolarHBondContact N-O 3.12Å; I315-V317 HydrophobicContact CG2-CG2 4.15Å; I315-L343 HydrophobicContact CG2-CD1 3.76Å; I315-L357 HydrophobicContact CB-CD1 4.03Å; I315-L357 HydrophobicContact CG2-CD1 3.76Å; I315-L361 HydrophobicContact CD1-CD2 3.83Å; I315-L361 HydrophobicContact CG1-CD2 4.25Å; I315-L368 HydrophobicContact CD1-CD1 3.99Å; I315-L368 HydrophobicContact CG1-CD1 3.8Å; I315-K371 HydrophobicContact CD1-CB 3.69Å; I315-K372 HydrophobicContact CD1-CG 4.42Å; I315-K372 HydrophobicContact CG1-CG 4.4Å; I315-M375 HydrophobicContact CG2-CG 4.28Å |
| 316 | V | 96.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 131.6 | 176.5 | -171.6 | 0 | 0 | 0 | 0 | 109.3 | F278 V285 L287 I306 V310 L314 V342 L343 | F278-V316 HydrophobicContact CD1-CG2 4.47Å; F278-V316 HydrophobicContact CE1-CG2 4.16Å; V285-V316 CarbonylContact O-C 3.59Å; V285-V316 WeakPolarHBondContact O-CA 3.38Å; L287-V316 HydrophobicContact CB-CG1 4.48Å; L287-V316 HydrophobicContact CD1-CG1 3.23Å; L287-V316 HydrophobicContact CG-CG1 4.45Å; I306-V316 HydrophobicContact CG2-CG1 4.5Å; V310-V316 HydrophobicContact CG2-CB 4.06Å; V310-V316 HydrophobicContact CG2-CG2 3.62Å; L314-V316 HydrophobicContact CD2-CG2 3.38Å; V316-V342 HydrophobicContact CB-CB 4.46Å; V316-V342 HydrophobicContact CB-CG1 4.14Å; V316-V342 HydrophobicContact CB-CG2 4.06Å; V316-V342 HydrophobicContact CG1-CB 4.41Å; V316-V342 HydrophobicContact CG1-CG1 3.79Å; V316-V342 HydrophobicContact CG1-CG2 3.9Å; V316-L343 PolarHBondContact O-N 3.18Å |
| 317 | V | 95.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 124.1 | -177.7 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | V285 V286 L287 I315 L343 L357 M375 | V285-V317 PolarHBondContact O-N 2.86Å; V286-V317 CarbonylContact C-O 3.52Å; V286-V317 WeakPolarHBondContact CA-O 3.3Å; L287-V317 PolarHBondContact N-O 3.21Å; I315-V317 HydrophobicContact CG2-CG2 4.15Å; V317-L343 WeakPolarHBondContact CA-O 3.49Å; V317-L357 HydrophobicContact CG2-CD1 4.31Å; V317-M375 HydrophobicContact CG1-CE 4.33Å; V317-M375 HydrophobicContact CG2-CE 3.75Å |
| 318 | N | 95.2 | Very high | 93 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 118.5 | 178.7 | -174.7 | 6.9 | 0 | 0 | 0 | 110.9 | T289 G293 V327 L337 V342 L343 G345 | T289-N318 WeakPolarHBondContact CB-OD1 3.28Å; T289-N318 WeakPolarHBondContact CG2-OD1 3.46Å; T289-N318 PolarHBondContact OG1-OD1 2.94Å; G293-N318 PolarHBondContact O-ND2 3.27Å; N318-V327 WeakPolarHBondContact O-CG2 3.37Å; N318-L337 WeakPolarHBondContact ND2-CD1 3.45Å; N318-V342 HydrophobicContact CB-CG1 3.78Å; N318-L343 PolarHBondContact N-O 3.12Å; N318-G345 VanDerWaalsContact O-CA 3.27Å; N318-G345 WeakPolarHBondContact O-CA 3.4Å; N318-G345 PolarHBondContact O-N 3.31Å |
| 319 | C | 95.1 | Very high | 92 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.007 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 151.5 | 171.8 | -74.4 | 0 | 0 | 0 | 0 | 110.2 | V286 L287 Q288 T289 A353 | V286-C319 HydrophobicContact CG1-CB 4.18Å; L287-C319 PolarHBondContact O-N 2.86Å; Q288-C319 CarbonylContact C-O 3.56Å; Q288-C319 VanDerWaalsContact CA-O 3.28Å; Q288-C319 WeakPolarHBondContact CA-O 3.11Å; T289-C319 PolarHBondContact N-O 3.19Å; T289-C319 PolarHBondContact OG1-O 3.35Å; C319-A353 WeakPolarHBondContact SG-CB 3.49Å |
| 320 | S | 94.8 | Very high | 91.1 | Very high | 17 Ų | 17 | 53.1 Ų | 53.1 | 12% | 0.119 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 148.6 | 173 | -174.7 | 0 | 0 | 0 | 0 | 111.3 | G291 C322 | G291-S320 WeakPolarHBondContact O-CB 3.3Å; G291-S320 PolarHBondContact O-OG 3.26Å; S320-C322 VanDerWaalsContact C-N 3.28Å; S320-C322 VanDerWaalsContact OG-CB 3.27Å; S320-C322 WeakPolarHBondContact OG-CB 3.3Å; S320-C322 PolarHBondContact OG-N 2.84Å |
| 321 | Q | 95.4 | Very high | 89.9 | Confident | 45 Ų | 45 | 59.2 Ų | 59.2 | 21% | 0.21 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -75.2 | -18.7 | 163.4 | -71.9 | 172.9 | 25.4 | 0 | 0 | 113 | R246 I247 Q288 T289 | R246-Q321 HydrophobicContact CG-CG 4.4Å; I247-Q321 PolarHBondContact O-NE2 3.07Å; Q288-Q321 HydrophobicContact CB-CG 3.68Å; Q288-Q321 PolarHBondContact O-NE2 3.45Å; T289-Q321 WeakPolarHBondContact O-CB 3.49Å; T289-Q321 VanDerWaalsContact O-CG 3.25Å; T289-Q321 WeakPolarHBondContact O-CG 3.37Å; T289-Q321 PolarHBondContact O-N 3.22Å |
| 322 | C | 94.7 | Very high | 88.9 | Confident | 66 Ų | 66 | 58.7 Ų | 58.7 | 45% | 0.446 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -70.3 | 139.8 | 177.9 | -61.6 | 0 | 0 | 0 | 0 | 109.9 | S320 R324 | S320-C322 VanDerWaalsContact C-N 3.28Å; S320-C322 VanDerWaalsContact OG-CB 3.27Å; S320-C322 WeakPolarHBondContact OG-CB 3.3Å; S320-C322 PolarHBondContact OG-N 2.84Å; C322-R324 VanDerWaalsContact C-N 3.3Å; C322-R324 PolarHBondContact O-N 2.86Å |
| 323 | L | 92.6 | Very high | 87.7 | Confident | 95 Ų | 95 | 54.9 Ų | 54.9 | 50% | 0.497 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -61.9 | -39.6 | 177.7 | 178 | 60.5 | 0 | 0 | 0 | 111.9 | T191 P204 | T191-L323 HydrophobicContact CG2-CD1 3.36Å; P204-L323 HydrophobicContact CB-CD1 4.08Å; P204-L323 HydrophobicContact CB-CG 3.97Å; P204-L323 WeakPolarHBondContact CB-O 3.37Å; P204-L323 HydrophobicContact CG-CD1 4.02Å; P204-L323 HydrophobicContact CG-CG 4.44Å; P204-L323 WeakPolarHBondContact CG-O 3.23Å |
| 324 | R | 92.1 | Very high | 86.7 | Confident | 199 Ų | 199 | 53.7 Ų | 53.7 | 75% | 0.751 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -122.6 | 146.8 | -177.6 | -175.1 | 171.4 | -175.7 | -179.4 | 1.2 | 111.2 | P204 C322 | P204-R324 HydrophobicContact CB-CB 4.33Å; P204-R324 WeakPolarHBondContact O-CD 3.49Å; P204-R324 WeakPolarHBondContact O-CG 3.34Å; C322-R324 VanDerWaalsContact C-N 3.3Å; C322-R324 PolarHBondContact O-N 2.86Å |
| 325 | G | 88.4 | Confident | 86.1 | Confident | 37 Ų | 37 | 59.2 Ų | 59.2 | 38% | 0.381 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 116.2 | -169.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N205 D347 | N205-G325 PolarHBondContact ND2-O 2.8Å; N205-G325 PolarHBondContact OD1-N 2.9Å; N205-G325 PolarHBondContact OD1-O 3.46Å; G325-D347 WeakPolarHBondContact O-CB 3.37Å |
| 326 | R | 87.9 | Confident | 85.7 | Confident | 132 Ų | 132 | 60.7 Ų | 60.7 | 50% | 0.498 | 30% | 0.304 | S | S | . | . | trans | -133.4 | 156 | -179.3 | 70.6 | -176.6 | -171 | -167.3 | 2.8 | 110.3 | D328 S346 D347 | R326-D328 IonicContact CZ-OD2 2.69Å; R326-D328 IonicContact NE-OD2 3.91Å; R326-D328 PolarHBondContact NE-OD2 2.77Å; R326-D328 IonicContact NH2-OD2 3.83Å; R326-D328 PolarHBondContact NH2-OD2 3.18Å; R326-D328 PolarHBondContact O-N 3.12Å; R326-S346 CarbonylContact C-O 3.58Å; R326-S346 VanDerWaalsContact CA-O 3.31Å; R326-S346 WeakPolarHBondContact CA-O 3.45Å; R326-D347 HydrophobicContact CB-CB 4.05Å | ||
| 327 | V | 86 | Confident | 85.4 | Confident | 9 Ų | 9 | 60.7 Ų | 60.7 | 6% | 0.055 | 30% | 0.304 | C | S | . | . | trans | -68.4 | 124.8 | 163.6 | 173.9 | 0 | 0 | 0 | 0 | 108.9 | A292 N318 Y344 S346 | A292-V327 CarbonylContact O-C 3.55Å; A292-V327 VanDerWaalsContact O-CA 3.31Å; A292-V327 WeakPolarHBondContact O-CA 3.49Å; N318-V327 WeakPolarHBondContact O-CG2 3.37Å; V327-Y344 HydrophobicContact CG1-CD1 3.72Å; V327-Y344 HydrophobicContact CG1-CE1 4.4Å; V327-S346 PolarHBondContact N-O 2.96Å | ||
| 328 | D | 79.3 | Confident | 85 | Confident | 47 Ų | 47 | 62.4 Ų | 62.4 | 25% | 0.251 | 31% | 0.313 | S | S | . | . | trans | -130.7 | 123.2 | -176.8 | -162.2 | -47.9 | 0 | 0 | 0 | 109.9 | A292 R326 A330 | A292-D328 HydrophobicContact CB-CB 4.29Å; A292-D328 PolarHBondContact O-N 3.01Å; R326-D328 IonicContact CZ-OD2 2.69Å; R326-D328 IonicContact NE-OD2 3.91Å; R326-D328 PolarHBondContact NE-OD2 2.77Å; R326-D328 IonicContact NH2-OD2 3.83Å; R326-D328 PolarHBondContact NH2-OD2 3.18Å; R326-D328 PolarHBondContact O-N 3.12Å; D328-A330 PolarHBondContact O-N 2.82Å; D328-A330 VanDerWaalsContact O-N 3.15Å; D328-A330 WeakPolarHBondContact OD1-CB 3.32Å; D328-A330 PolarHBondContact OD1-N 3.32Å; D328-A330 VanDerWaalsContact OD1-N 3.15Å | ||
| 329 | P | 71.9 | Confident | 84.7 | Confident | 49 Ų | 49 | 67 Ų | 67 | 32% | 0.318 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 11 | -176.7 | 31.5 | -35.7 | 0 | 0 | 0 | 115.9 | Y331 I338 Y344 | P329-Y331 PolarHBondContact O-N 2.9Å; P329-Y331 VanDerWaalsContact O-N 3.14Å; P329-I338 HydrophobicContact CB-CD1 3.78Å; P329-Y344 HydrophobicContact CB-CE1 3.71Å; P329-Y344 WeakPolarHBondContact CB-OH 3.32Å; P329-Y344 HydrophobicContact CG-CE1 4.02Å; P329-Y344 WeakPolarHBondContact CG-OH 3.37Å |
| 330 | A | 73.7 | Confident | 84.6 | Confident | 80 Ų | 80 | 67.1 Ų | 67.1 | 66% | 0.661 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -23.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D328 | D328-A330 PolarHBondContact O-N 2.82Å; D328-A330 VanDerWaalsContact O-N 3.15Å; D328-A330 WeakPolarHBondContact OD1-CB 3.32Å; D328-A330 PolarHBondContact OD1-N 3.32Å; D328-A330 VanDerWaalsContact OD1-N 3.15Å |
| 331 | Y | 72.3 | Confident | 84.5 | Confident | 139 Ų | 139 | 67.7 Ų | 67.7 | 55% | 0.545 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -97 | 142.7 | -178.6 | -61.8 | -81.8 | 0 | 0 | 0 | 112.2 | A292 N294 P329 T333 G334 R335 | A292-Y331 HydrophobicContact CB-CD2 4.18Å; A292-Y331 HydrophobicContact CB-CE2 4.05Å; N294-Y331 WeakPolarHBondContact OD1-CB 3.38Å; P329-Y331 PolarHBondContact O-N 2.9Å; P329-Y331 VanDerWaalsContact O-N 3.14Å; Y331-T333 PolarHBondContact O-N 3.29Å; Y331-G334 WeakPolarHBondContact O-CA 3.37Å; Y331-G334 PolarHBondContact O-N 2.91Å; Y331-R335 PolarHBondContact O-N 3.39Å |
| 332 | E | 72.7 | Confident | 84.5 | Confident | 151 Ų | 151 | 65.9 Ų | 65.9 | 71% | 0.706 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -51.3 | -44.4 | 173 | -177.2 | -174.2 | -172.5 | 0 | 0 | 111.8 | G334 R335 I336 | E332-G334 PolarHBondContact O-N 3.45Å; E332-R335 WeakPolarHBondContact O-CB 3.35Å; E332-R335 PolarHBondContact O-N 3.23Å; E332-I336 PolarHBondContact O-N 2.89Å |
| 333 | T | 68.9 | Low | 84.4 | Confident | 39 Ų | 39 | 64 Ų | 64 | 24% | 0.239 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.3 | -18.9 | 177.3 | 48.7 | 0 | 0 | 0 | 0 | 114.6 | N294 M295 Y331 I336 | N294-T333 WeakPolarHBondContact CB-OG1 3.41Å; N294-T333 PolarHBondContact OD1-OG1 2.79Å; M295-T333 PolarHBondContact N-O 3.28Å; M295-T333 WeakPolarHBondContact O-CB 2.85Å; Y331-T333 PolarHBondContact O-N 3.29Å; T333-I336 WeakPolarHBondContact O-CD1 3.47Å; T333-I336 WeakPolarHBondContact O-CG1 3.34Å |
| 334 | G | 73.7 | Confident | 84.3 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -87.1 | -42.6 | 169 | 0 | 0 | 0 | 0 | 0 | 110.8 | N294 Y331 E332 I336 L337 I338 | N294-G334 PolarHBondContact OD1-N 3.01Å; Y331-G334 WeakPolarHBondContact O-CA 3.37Å; Y331-G334 PolarHBondContact O-N 2.91Å; E332-G334 PolarHBondContact O-N 3.45Å; G334-I336 VanDerWaalsContact C-N 3.31Å; G334-I336 PolarHBondContact O-N 3.14Å; G334-L337 PolarHBondContact O-N 3.31Å; G334-L337 VanDerWaalsContact O-N 3.13Å; G334-I338 VanDerWaalsContact O-CD1 3.22Å; G334-I338 WeakPolarHBondContact O-CD1 3.11Å |
| 335 | R | 83.5 | Confident | 84.2 | Confident | 128 Ų | 128 | 53.3 Ų | 53.3 | 48% | 0.483 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -54.1 | -42.2 | -176 | -170.2 | 66 | -167.7 | -154.5 | -1.9 | 113.4 | Y331 E332 L337 I338 D339 | Y331-R335 PolarHBondContact O-N 3.39Å; E332-R335 WeakPolarHBondContact O-CB 3.35Å; E332-R335 PolarHBondContact O-N 3.23Å; R335-L337 PolarHBondContact O-N 2.74Å; R335-L337 VanDerWaalsContact O-N 3.14Å; R335-I338 WeakPolarHBondContact O-CB 3.11Å; R335-I338 PolarHBondContact O-N 2.86Å; R335-D339 IonicContact CZ-OD1 3.48Å; R335-D339 IonicContact NE-OD1 3.32Å; R335-D339 PolarHBondContact NE-OD1 2.69Å; R335-D339 IonicContact NE-OD2 3.32Å; R335-D339 IonicContact NH2-OD1 2.66Å; R335-D339 PolarHBondContact O-N 2.74Å |
| 336 | I | 88.3 | Confident | 84.3 | Confident | 32 Ų | 32 | 52.6 Ų | 52.6 | 16% | 0.164 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -52.8 | -35.5 | 178.7 | 59.9 | -178.6 | 0 | 0 | 0 | 113.8 | I303 E332 T333 G334 I338 A340 | I303-I336 HydrophobicContact CD1-CD1 3.82Å; I303-I336 HydrophobicContact CD1-CG1 4.14Å; I303-I336 HydrophobicContact CG1-CD1 4.25Å; E332-I336 PolarHBondContact O-N 2.89Å; T333-I336 WeakPolarHBondContact O-CD1 3.47Å; T333-I336 WeakPolarHBondContact O-CG1 3.34Å; G334-I336 VanDerWaalsContact C-N 3.31Å; G334-I336 PolarHBondContact O-N 3.14Å; I336-I338 VanDerWaalsContact C-N 3.34Å; I336-A340 WeakPolarHBondContact O-CB 3.33Å; I336-A340 PolarHBondContact O-N 2.97Å |
| 337 | L | 91.1 | Very high | 84.6 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.7 | -34 | -179.8 | -69.5 | 174 | 0 | 0 | 0 | 111.2 | T289 M295 I303 I306 N318 G334 R335 A340 G341 V342 | T289-L337 HydrophobicContact CG2-CD1 3.89Å; M295-L337 HydrophobicContact CB-CD1 4.11Å; M295-L337 HydrophobicContact CB-CD2 4.39Å; M295-L337 HydrophobicContact CB-CG 4.38Å; M295-L337 HydrophobicContact SD-CD2 3.97Å; I303-L337 HydrophobicContact CD1-CD2 3.92Å; I306-L337 HydrophobicContact CD1-CD2 3.95Å; N318-L337 WeakPolarHBondContact ND2-CD1 3.45Å; G334-L337 PolarHBondContact O-N 3.31Å; G334-L337 VanDerWaalsContact O-N 3.13Å; R335-L337 PolarHBondContact O-N 2.74Å; R335-L337 VanDerWaalsContact O-N 3.14Å; L337-A340 CarbonylContact O-C 3.57Å; L337-A340 WeakPolarHBondContact O-CB 3.48Å; L337-A340 PolarHBondContact O-N 3.37Å; L337-G341 PolarHBondContact O-N 2.58Å; L337-V342 HydrophobicContact CB-CB 4.09Å; L337-V342 HydrophobicContact CB-CG2 4.18Å; L337-V342 HydrophobicContact CD2-CG2 4.3Å; L337-V342 WeakPolarHBondContact O-CB 3.04Å; L337-V342 VanDerWaalsContact O-CG2 3.25Å; L337-V342 WeakPolarHBondContact O-CG2 3.36Å; L337-V342 PolarHBondContact O-N 3.16Å |
| 338 | I | 87 | Confident | 85.1 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 20% | 0.195 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -74.8 | -41 | -179.6 | -59.8 | 126 | 0 | 0 | 0 | 110.2 | P329 G334 R335 I336 A340 G341 Y344 | P329-I338 HydrophobicContact CB-CD1 3.78Å; G334-I338 VanDerWaalsContact O-CD1 3.22Å; G334-I338 WeakPolarHBondContact O-CD1 3.11Å; R335-I338 WeakPolarHBondContact O-CB 3.11Å; R335-I338 PolarHBondContact O-N 2.86Å; I336-I338 VanDerWaalsContact C-N 3.34Å; I338-A340 PolarHBondContact O-N 3.49Å; I338-G341 VanDerWaalsContact O-CA 3.31Å; I338-G341 WeakPolarHBondContact O-CA 3.49Å; I338-G341 PolarHBondContact O-N 2.87Å; I338-Y344 HydrophobicContact CD1-CD1 4.47Å; I338-Y344 HydrophobicContact CD1-CE1 3.29Å; I338-Y344 HydrophobicContact CD1-CE2 4.47Å; I338-Y344 WeakPolarHBondContact CD1-OH 3.3Å; I338-Y344 HydrophobicContact CG1-CD1 4.22Å; I338-Y344 HydrophobicContact CG1-CE1 3.32Å; I338-Y344 HydrophobicContact CG1-CE2 3.95Å; I338-Y344 WeakPolarHBondContact CG1-OH 3.35Å; I338-Y344 HydrophobicContact CG2-CE2 4.32Å |
| 339 | D | 90.2 | Very high | 85.9 | Confident | 100 Ų | 100 | 45.4 Ų | 45.4 | 54% | 0.535 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.7 | -31.9 | 173.8 | -60.8 | -16.6 | 0 | 0 | 0 | 110.1 | R335 G341 | R335-D339 IonicContact CZ-OD1 3.48Å; R335-D339 IonicContact NE-OD1 3.32Å; R335-D339 PolarHBondContact NE-OD1 2.69Å; R335-D339 IonicContact NE-OD2 3.32Å; R335-D339 IonicContact NH2-OD1 2.66Å; R335-D339 PolarHBondContact O-N 2.74Å; D339-G341 PolarHBondContact O-N 2.63Å |
| 340 | A | 92.2 | Very high | 87.2 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.033 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -10.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | I303 I306 H307 I336 L337 I338 | I303-A340 HydrophobicContact CG2-CB 4.07Å; I306-A340 HydrophobicContact CG2-CB 4.5Å; H307-A340 HydrophobicContact CB-CB 3.92Å; H307-A340 PolarHBondContact ND1-O 3.16Å; I336-A340 WeakPolarHBondContact O-CB 3.33Å; I336-A340 PolarHBondContact O-N 2.97Å; L337-A340 CarbonylContact O-C 3.57Å; L337-A340 WeakPolarHBondContact O-CB 3.48Å; L337-A340 PolarHBondContact O-N 3.37Å; I338-A340 PolarHBondContact O-N 3.49Å |
| 341 | G | 93.3 | Very high | 88.3 | Confident | 29 Ų | 29 | 41 Ų | 41 | 30% | 0.299 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | 15 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | V310 L337 I338 D339 | V310-G341 WeakPolarHBondContact CG1-O 3.08Å; L337-G341 PolarHBondContact O-N 2.58Å; I338-G341 VanDerWaalsContact O-CA 3.31Å; I338-G341 WeakPolarHBondContact O-CA 3.49Å; I338-G341 PolarHBondContact O-N 2.87Å; D339-G341 PolarHBondContact O-N 2.63Å |
| 342 | V | 94.6 | Very high | 89.6 | Confident | 6 Ų | 6 | 34.3 Ų | 34.3 | 4% | 0.036 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 136.8 | 174.1 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | I306 V316 N318 L337 | I306-V342 HydrophobicContact CG2-CG2 3.38Å; V316-V342 HydrophobicContact CB-CB 4.46Å; V316-V342 HydrophobicContact CB-CG1 4.14Å; V316-V342 HydrophobicContact CB-CG2 4.06Å; V316-V342 HydrophobicContact CG1-CB 4.41Å; V316-V342 HydrophobicContact CG1-CG1 3.79Å; V316-V342 HydrophobicContact CG1-CG2 3.9Å; N318-V342 HydrophobicContact CB-CG1 3.78Å; L337-V342 HydrophobicContact CB-CB 4.09Å; L337-V342 HydrophobicContact CB-CG2 4.18Å; L337-V342 HydrophobicContact CD2-CG2 4.3Å; L337-V342 WeakPolarHBondContact O-CB 3.04Å; L337-V342 VanDerWaalsContact O-CG2 3.25Å; L337-V342 WeakPolarHBondContact O-CG2 3.36Å; L337-V342 PolarHBondContact O-N 3.16Å |
| 343 | L | 93.6 | Very high | 90.8 | Very high | 27 Ų | 27 | 27.1 Ų | 27.1 | 14% | 0.141 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 148.3 | 177 | -56.9 | -179.5 | 0 | 0 | 0 | 111.7 | I315 V316 V317 N318 K372 M375 | I315-L343 HydrophobicContact CG2-CD1 3.76Å; V316-L343 PolarHBondContact O-N 3.18Å; V317-L343 WeakPolarHBondContact CA-O 3.49Å; N318-L343 PolarHBondContact N-O 3.12Å; L343-K372 HydrophobicContact CD1-CB 4.09Å; L343-K372 HydrophobicContact CD1-CG 4.13Å; L343-K372 HydrophobicContact CD2-CB 4.19Å; L343-K372 HydrophobicContact CD2-CG 4.38Å; L343-M375 HydrophobicContact CD1-CB 3.69Å; L343-M375 HydrophobicContact CD1-CG 4.19Å |
| 344 | Y | 88.8 | Confident | 92.1 | Very high | 70 Ų | 70 | 26.2 Ų | 26.2 | 28% | 0.275 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 127.1 | 171.7 | -57.1 | -74.6 | 0 | 0 | 0 | 111.6 | V327 P329 I338 S346 | V327-Y344 HydrophobicContact CG1-CD1 3.72Å; V327-Y344 HydrophobicContact CG1-CE1 4.4Å; P329-Y344 HydrophobicContact CB-CE1 3.71Å; P329-Y344 WeakPolarHBondContact CB-OH 3.32Å; P329-Y344 HydrophobicContact CG-CE1 4.02Å; P329-Y344 WeakPolarHBondContact CG-OH 3.37Å; I338-Y344 HydrophobicContact CD1-CD1 4.47Å; I338-Y344 HydrophobicContact CD1-CE1 3.29Å; I338-Y344 HydrophobicContact CD1-CE2 4.47Å; I338-Y344 WeakPolarHBondContact CD1-OH 3.3Å; I338-Y344 HydrophobicContact CG1-CD1 4.22Å; I338-Y344 HydrophobicContact CG1-CE1 3.32Å; I338-Y344 HydrophobicContact CG1-CE2 3.95Å; I338-Y344 WeakPolarHBondContact CG1-OH 3.35Å; I338-Y344 HydrophobicContact CG2-CE2 4.32Å; Y344-S346 VanDerWaalsContact C-N 3.25Å; Y344-S346 PolarHBondContact O-N 3.48Å |
| 345 | G | 90.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -79.8 | -2.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | N318 D347 L348 | N318-G345 VanDerWaalsContact O-CA 3.27Å; N318-G345 WeakPolarHBondContact O-CA 3.4Å; N318-G345 PolarHBondContact O-N 3.31Å; G345-D347 PolarHBondContact O-N 3.45Å; G345-D347 VanDerWaalsContact O-N 3.14Å; G345-L348 VanDerWaalsContact O-CB 3.23Å; G345-L348 WeakPolarHBondContact O-CB 3.33Å; G345-L348 WeakPolarHBondContact O-CD1 3.3Å; G345-L348 WeakPolarHBondContact O-CG 3.34Å; G345-L348 PolarHBondContact O-N 3.23Å | ||
| 346 | S | 91.6 | Very high | 94 | Very high | 22 Ų | 22 | 20.1 Ų | 20.1 | 15% | 0.154 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | -117.3 | -173.7 | -169.6 | 0 | 0 | 0 | 0 | 111.1 | R326 V327 Y344 T384 | R326-S346 CarbonylContact C-O 3.58Å; R326-S346 VanDerWaalsContact CA-O 3.31Å; R326-S346 WeakPolarHBondContact CA-O 3.45Å; V327-S346 PolarHBondContact N-O 2.96Å; Y344-S346 VanDerWaalsContact C-N 3.25Å; Y344-S346 PolarHBondContact O-N 3.48Å; S346-T384 PolarHBondContact OG-O 3.47Å |
| 347 | D | 94.2 | Very high | 94.5 | Very high | 13 Ų | 13 | 18.6 Ų | 18.6 | 7% | 0.07 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 22.9 | -178.7 | 68.8 | -26 | 0 | 0 | 0 | 113.4 | R189 N205 G325 R326 G345 T384 | R189-D347 IonicContact CZ-OD2 3.6Å; R189-D347 IonicContact NH1-OD1 3.84Å; R189-D347 PolarHBondContact NH1-OD1 2.94Å; R189-D347 IonicContact NH1-OD2 2.69Å; R189-D347 PolarHBondContact NH1-OD2 3.06Å; R189-D347 IonicContact NH2-OD2 3.91Å; N205-D347 HydrophobicContact CB-CB 4.12Å; N205-D347 PolarHBondContact ND2-O 2.93Å; G325-D347 WeakPolarHBondContact O-CB 3.37Å; R326-D347 HydrophobicContact CB-CB 4.05Å; G345-D347 PolarHBondContact O-N 3.45Å; G345-D347 VanDerWaalsContact O-N 3.14Å; D347-T384 PolarHBondContact OD1-N 3.12Å; D347-T384 VanDerWaalsContact OD2-CB 3.24Å; D347-T384 WeakPolarHBondContact OD2-CB 3.44Å; D347-T384 PolarHBondContact OD2-OG1 3.29Å |
| 348 | L | 95.6 | Very high | 94.8 | Very high | 13 Ų | 13 | 18.6 Ų | 18.6 | 7% | 0.068 | 10% | 0.104 | C | C | . | . | trans | -57.3 | 139.2 | 172.3 | -77.7 | 169.1 | 0 | 0 | 0 | 111.4 | G345 A352 A353 E382 L383 | G345-L348 VanDerWaalsContact O-CB 3.23Å; G345-L348 WeakPolarHBondContact O-CB 3.33Å; G345-L348 WeakPolarHBondContact O-CD1 3.3Å; G345-L348 WeakPolarHBondContact O-CG 3.34Å; G345-L348 PolarHBondContact O-N 3.23Å; L348-A352 HydrophobicContact CD2-CB 3.97Å; L348-A353 HydrophobicContact CB-CB 4.23Å; L348-A353 HydrophobicContact CD1-CB 4.13Å; L348-E382 HydrophobicContact CD2-CB 3.96Å; L348-E382 HydrophobicContact CD2-CG 3.4Å; L348-L383 HydrophobicContact CD1-CD1 4.22Å; L348-L383 HydrophobicContact CD2-CB 4.21Å; L348-L383 HydrophobicContact CG-CB 4.33Å; L348-L383 HydrophobicContact CG-CD1 4.09Å | ||
| 349 | T | 97.6 | Very high | 95.4 | Very high | 11 Ų | 11 | 17.1 Ų | 17.1 | 7% | 0.067 | 10% | 0.096 | C | C | . | . | trans | -71.6 | 161.8 | 159.7 | 69.6 | 0 | 0 | 0 | 0 | 110 | P204 E351 A352 A353 | P204-T349 HydrophobicContact CG-CG2 4.46Å; T349-E351 VanDerWaalsContact C-N 3.3Å; T349-E351 WeakPolarHBondContact CB-OE2 3.48Å; T349-E351 PolarHBondContact O-N 3.44Å; T349-E351 PolarHBondContact OG1-OE2 2.77Å; T349-A352 PolarHBondContact O-N 3.17Å; T349-A352 WeakPolarHBondContact OG1-CB 3.49Å; T349-A352 PolarHBondContact OG1-N 2.71Å; T349-A353 WeakPolarHBondContact O-CB 3.29Å; T349-A353 PolarHBondContact O-N 2.72Å | ||
| 350 | V | 97.1 | Very high | 95.8 | Very high | 21 Ų | 21 | 12.4 Ų | 12.4 | 13% | 0.127 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.6 | -40.5 | -178.9 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | L244 Q288 A353 L354 | L244-V350 HydrophobicContact CD1-CG1 3.56Å; L244-V350 HydrophobicContact CD2-CG1 3.66Å; L244-V350 HydrophobicContact CG-CG1 4.27Å; Q288-V350 HydrophobicContact CG-CG2 4.2Å; V350-A353 PolarHBondContact O-N 3.49Å; V350-L354 HydrophobicContact CG1-CD1 3.9Å; V350-L354 HydrophobicContact CG1-CG 4.5Å; V350-L354 WeakPolarHBondContact O-CB 3.26Å; V350-L354 WeakPolarHBondContact O-CG 3.45Å; V350-L354 PolarHBondContact O-N 3.04Å |
| 351 | E | 98.1 | Very high | 96 | Very high | 14 Ų | 14 | 12.7 Ų | 12.7 | 7% | 0.065 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58 | -50.3 | 177.3 | -58.6 | 90.3 | 154 | 0 | 0 | 109.9 | C124 Y125 T191 T349 T355 | C124-E351 HydrophobicContact CB-CB 4.33Å; C124-E351 HydrophobicContact CB-CG 3.83Å; Y125-E351 HydrophobicContact CD1-CB 4.03Å; Y125-E351 HydrophobicContact CD1-CG 4Å; Y125-E351 HydrophobicContact CD2-CG 3.82Å; Y125-E351 HydrophobicContact CE1-CB 4.18Å; Y125-E351 HydrophobicContact CE1-CG 3.88Å; Y125-E351 HydrophobicContact CE2-CG 3.69Å; Y125-E351 HydrophobicContact CG-CB 4.25Å; Y125-E351 HydrophobicContact CG-CG 3.98Å; T191-E351 WeakPolarHBondContact CA-OE1 3.41Å; T191-E351 VanDerWaalsContact CB-OE1 3.23Å; T191-E351 WeakPolarHBondContact CB-OE1 3.21Å; T191-E351 PolarHBondContact OG1-OE1 3.18Å; T349-E351 VanDerWaalsContact C-N 3.3Å; T349-E351 WeakPolarHBondContact CB-OE2 3.48Å; T349-E351 PolarHBondContact O-N 3.44Å; T349-E351 PolarHBondContact OG1-OE2 2.77Å; E351-T355 WeakPolarHBondContact O-CG2 3.48Å; E351-T355 PolarHBondContact O-N 3.37Å; E351-T355 VanDerWaalsContact O-N 3.09Å; E351-T355 PolarHBondContact O-OG1 2.77Å; E351-T355 VanDerWaalsContact O-OG1 3.06Å |
| 352 | A | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -67 | -39.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F132 N188 L348 T349 T355 K356 E382 | F132-A352 WeakPolarHBondContact CE2-O 3.33Å; N188-A352 HydrophobicContact CB-CB 4.34Å; N188-A352 VanDerWaalsContact O-CB 3.23Å; N188-A352 WeakPolarHBondContact O-CB 3.44Å; L348-A352 HydrophobicContact CD2-CB 3.97Å; T349-A352 PolarHBondContact O-N 3.17Å; T349-A352 WeakPolarHBondContact OG1-CB 3.49Å; T349-A352 PolarHBondContact OG1-N 2.71Å; A352-T355 PolarHBondContact O-OG1 3.28Å; A352-K356 WeakPolarHBondContact O-CB 3.4Å; A352-K356 PolarHBondContact O-N 2.99Å; A352-E382 HydrophobicContact CB-CB 4.42Å |
| 353 | A | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.4 | -45.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | V286 C319 L348 T349 V350 L357 | V286-A353 HydrophobicContact CG1-CB 3.98Å; V286-A353 HydrophobicContact CG2-CB 3.93Å; C319-A353 WeakPolarHBondContact SG-CB 3.49Å; L348-A353 HydrophobicContact CB-CB 4.23Å; L348-A353 HydrophobicContact CD1-CB 4.13Å; T349-A353 WeakPolarHBondContact O-CB 3.29Å; T349-A353 PolarHBondContact O-N 2.72Å; V350-A353 PolarHBondContact O-N 3.49Å; A353-L357 WeakPolarHBondContact O-CB 3.37Å; A353-L357 PolarHBondContact O-N 3.14Å |
| 354 | L | 97.9 | Very high | 96.3 | Very high | 19 Ų | 19 | 17.4 Ų | 17.4 | 10% | 0.099 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.8 | -48.2 | 179 | -76.9 | 166.2 | 0 | 0 | 0 | 111.8 | Y125 I242 L244 V286 V350 L357 A358 | Y125-L354 HydrophobicContact CE1-CD1 3.87Å; I242-L354 HydrophobicContact CD1-CB 4.18Å; I242-L354 HydrophobicContact CD1-CD2 4.05Å; I242-L354 VanDerWaalsContact CD1-O 3.27Å; I242-L354 WeakPolarHBondContact CD1-O 3.45Å; L244-L354 HydrophobicContact CB-CD1 4.11Å; L244-L354 HydrophobicContact CB-CD2 4.1Å; L244-L354 HydrophobicContact CD1-CD1 4.33Å; L244-L354 HydrophobicContact CD2-CD1 4.24Å; L244-L354 HydrophobicContact CG-CD1 4.46Å; V286-L354 HydrophobicContact CB-CD2 3.98Å; V286-L354 HydrophobicContact CB-CG 4.3Å; V286-L354 HydrophobicContact CG2-CD2 3.71Å; V286-L354 HydrophobicContact CG2-CG 3.95Å; V350-L354 HydrophobicContact CG1-CD1 3.9Å; V350-L354 HydrophobicContact CG1-CG 4.5Å; V350-L354 WeakPolarHBondContact O-CB 3.26Å; V350-L354 WeakPolarHBondContact O-CG 3.45Å; V350-L354 PolarHBondContact O-N 3.04Å; L354-L357 PolarHBondContact O-N 2.91Å; L354-A358 PolarHBondContact O-N 2.91Å |
| 355 | T | 98.2 | Very high | 96.6 | Very high | 3 Ų | 3 | 18.8 Ų | 18.8 | 2% | 0.018 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -72 | -33.1 | -177.8 | 61.5 | 0 | 0 | 0 | 0 | 112.2 | W97 S128 A129 F132 E351 A352 A358 Y359 | W97-T355 HydrophobicContact CH2-CG2 4.22Å; W97-T355 HydrophobicContact CZ3-CG2 4.37Å; S128-T355 WeakPolarHBondContact CB-OG1 3.36Å; S128-T355 PolarHBondContact O-OG1 3.29Å; A129-T355 HydrophobicContact CB-CG2 3.83Å; F132-T355 WeakPolarHBondContact CD2-OG1 3.48Å; F132-T355 VanDerWaalsContact CE2-OG1 3.29Å; F132-T355 WeakPolarHBondContact CE2-OG1 3.46Å; E351-T355 WeakPolarHBondContact O-CG2 3.48Å; E351-T355 PolarHBondContact O-N 3.37Å; E351-T355 VanDerWaalsContact O-N 3.09Å; E351-T355 PolarHBondContact O-OG1 2.77Å; E351-T355 VanDerWaalsContact O-OG1 3.06Å; A352-T355 PolarHBondContact O-OG1 3.28Å; T355-A358 PolarHBondContact O-N 2.9Å; T355-Y359 WeakPolarHBondContact O-CB 3.32Å; T355-Y359 PolarHBondContact O-N 3.24Å |
| 356 | K | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.1 | -45 | 170.4 | -167.9 | 175.8 | -178.6 | -179.3 | 0 | 110.7 | F132 A352 Y359 V360 L374 M375 Q377 I379 E382 | F132-K356 HydrophobicContact CD1-CB 4.48Å; F132-K356 HydrophobicContact CD1-CG 4.28Å; F132-K356 HydrophobicContact CD2-CB 4.16Å; F132-K356 HydrophobicContact CE1-CB 3.95Å; F132-K356 HydrophobicContact CE1-CD 4.02Å; F132-K356 HydrophobicContact CE1-CG 3.75Å; F132-K356 HydrophobicContact CE2-CB 3.6Å; F132-K356 HydrophobicContact CE2-CG 4.33Å; F132-K356 HydrophobicContact CZ-CB 3.49Å; F132-K356 VanDerWaalsContact CZ-CB 3.49Å; F132-K356 HydrophobicContact CZ-CD 4.03Å; F132-K356 HydrophobicContact CZ-CG 3.81Å; A352-K356 WeakPolarHBondContact O-CB 3.4Å; A352-K356 PolarHBondContact O-N 2.99Å; K356-Y359 PolarHBondContact O-N 3.45Å; K356-V360 HydrophobicContact CG-CG2 4.26Å; K356-V360 WeakPolarHBondContact O-CB 3.38Å; K356-V360 VanDerWaalsContact O-CG2 3.3Å; K356-V360 WeakPolarHBondContact O-CG2 3.45Å; K356-V360 PolarHBondContact O-N 2.88Å; K356-L374 VanDerWaalsContact CE-O 3.26Å; K356-L374 WeakPolarHBondContact CE-O 3.48Å; K356-L374 PolarHBondContact NZ-O 3.38Å; K356-M375 HydrophobicContact CB-CE 4.15Å; K356-M375 HydrophobicContact CB-SD 4.34Å; K356-M375 HydrophobicContact CD-CE 3.89Å; K356-M375 HydrophobicContact CD-SD 4.22Å; K356-M375 WeakPolarHBondContact CE-O 3.43Å; K356-M375 HydrophobicContact CG-CE 3.96Å; K356-M375 HydrophobicContact CG-SD 3.82Å; K356-M375 PolarHBondContact NZ-O 3.25Å; K356-Q377 PolarHBondContact NZ-O 3.16Å; K356-I379 HydrophobicContact CG-CD1 4.32Å; K356-E382 HydrophobicContact CD-CG 4.26Å; K356-E382 VanDerWaalsContact CE-OE1 3.3Å; K356-E382 WeakPolarHBondContact CE-OE1 3.23Å; K356-E382 IonicContact NZ-OE1 3.38Å; K356-E382 PolarHBondContact NZ-OE1 2.88Å |
| 357 | L | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62 | -44 | 177.7 | -175 | 60.1 | 0 | 0 | 0 | 111.7 | I242 V286 I315 V317 A353 L354 Y359 V360 L361 M375 | I242-L357 HydrophobicContact CG2-CD2 4.16Å; I242-L357 HydrophobicContact CG2-CG 3.96Å; V286-L357 HydrophobicContact CG2-CD2 3.91Å; I315-L357 HydrophobicContact CB-CD1 4.03Å; I315-L357 HydrophobicContact CG2-CD1 3.76Å; V317-L357 HydrophobicContact CG2-CD1 4.31Å; A353-L357 WeakPolarHBondContact O-CB 3.37Å; A353-L357 PolarHBondContact O-N 3.14Å; L354-L357 PolarHBondContact O-N 2.91Å; L357-Y359 VanDerWaalsContact C-N 3.33Å; L357-Y359 PolarHBondContact O-N 2.77Å; L357-V360 PolarHBondContact O-N 2.87Å; L357-L361 HydrophobicContact CD1-CD1 3.91Å; L357-L361 HydrophobicContact CD1-CG 4.08Å; L357-L361 HydrophobicContact CG-CD1 3.9Å; L357-L361 HydrophobicContact CG-CG 4.47Å; L357-L361 WeakPolarHBondContact O-CB 3.39Å; L357-L361 VanDerWaalsContact O-CG 3.29Å; L357-L361 WeakPolarHBondContact O-CG 3.44Å; L357-L361 PolarHBondContact O-N 3.23Å; L357-M375 HydrophobicContact CB-CE 4.46Å; L357-M375 HydrophobicContact CB-SD 4.32Å; L357-M375 HydrophobicContact CD1-SD 4.17Å |
| 358 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.2 | -46.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | F94 L238 D239 I242 L354 T355 G362 | F94-A358 HydrophobicContact CE1-CB 3.88Å; F94-A358 HydrophobicContact CZ-CB 4.47Å; L238-A358 HydrophobicContact CB-CB 4.23Å; D239-A358 WeakPolarHBondContact CB-O 3.4Å; D239-A358 PolarHBondContact N-O 2.82Å; D239-A358 VanDerWaalsContact O-CB 3.3Å; D239-A358 WeakPolarHBondContact O-CB 3.01Å; I242-A358 HydrophobicContact CD1-CB 3.92Å; L354-A358 PolarHBondContact O-N 2.91Å; T355-A358 PolarHBondContact O-N 2.9Å; A358-G362 PolarHBondContact O-N 2.84Å |
| 359 | Y | 98.3 | Very high | 97.3 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.9 | -49.9 | 178.5 | 161.8 | -94.7 | 0 | 0 | 0 | 111.9 | F132 E135 R235 T355 K356 L357 L361 G362 R363 L374 I379 | F132-Y359 HydrophobicContact CB-CD1 4.25Å; F132-Y359 HydrophobicContact CB-CD2 4.03Å; F132-Y359 HydrophobicContact CB-CG 3.77Å; F132-Y359 HydrophobicContact CG-CG 4.49Å; F132-Y359 WeakPolarHBondContact O-CD2 3.18Å; F132-Y359 WeakPolarHBondContact O-CE2 3.27Å; E135-Y359 WeakPolarHBondContact OE1-CE2 3.39Å; E135-Y359 PolarHBondContact OE1-OH 3.28Å; R235-Y359 HydrophobicContact CB-CE2 4.45Å; R235-Y359 HydrophobicContact CG-CE2 4.36Å; T355-Y359 WeakPolarHBondContact O-CB 3.32Å; T355-Y359 PolarHBondContact O-N 3.24Å; K356-Y359 PolarHBondContact O-N 3.45Å; L357-Y359 VanDerWaalsContact C-N 3.33Å; L357-Y359 PolarHBondContact O-N 2.77Å; Y359-L361 PolarHBondContact O-N 3.45Å; Y359-G362 PolarHBondContact O-N 3.13Å; Y359-R363 PolarHBondContact O-N 3.32Å; Y359-R363 PolarHBondContact OH-NH1 2.95Å; Y359-L374 HydrophobicContact CE1-CD2 4.11Å; Y359-I379 HydrophobicContact CD1-CD1 4.21Å; Y359-I379 HydrophobicContact CE1-CD1 3.82Å |
| 360 | V | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.6 | -42.8 | -178.3 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | K356 L357 G362 R363 K371 L374 M375 | K356-V360 HydrophobicContact CG-CG2 4.26Å; K356-V360 WeakPolarHBondContact O-CB 3.38Å; K356-V360 VanDerWaalsContact O-CG2 3.3Å; K356-V360 WeakPolarHBondContact O-CG2 3.45Å; K356-V360 PolarHBondContact O-N 2.88Å; L357-V360 PolarHBondContact O-N 2.87Å; V360-G362 VanDerWaalsContact C-N 3.29Å; V360-G362 PolarHBondContact O-N 2.87Å; V360-R363 WeakPolarHBondContact O-CB 3.44Å; V360-R363 PolarHBondContact O-N 3.48Å; V360-K371 HydrophobicContact CG1-CB 3.54Å; V360-K371 HydrophobicContact CG1-CD 4.49Å; V360-K371 HydrophobicContact CG1-CG 3.77Å; V360-K371 WeakPolarHBondContact CG1-O 3.46Å; V360-K371 WeakPolarHBondContact O-CE 3.4Å; V360-L374 HydrophobicContact CG1-CB 4.5Å; V360-L374 HydrophobicContact CG2-CB 4.26Å; V360-L374 HydrophobicContact CG2-CD2 3.86Å; V360-L374 HydrophobicContact CG2-CG 3.97Å; V360-M375 HydrophobicContact CB-CG 4.33Å; V360-M375 HydrophobicContact CB-SD 3.9Å; V360-M375 HydrophobicContact CG1-CG 4.11Å; V360-M375 HydrophobicContact CG1-SD 4.35Å; V360-M375 HydrophobicContact CG2-CG 4.2Å; V360-M375 HydrophobicContact CG2-SD 3.6Å; V360-M375 VanDerWaalsContact CG2-SD 3.6Å |
| 361 | L | 97.8 | Very high | 97.4 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.9 | -34 | 177.3 | -70.8 | 171 | 0 | 0 | 0 | 112.1 | D239 I242 R283 I315 L357 Y359 R363 K371 | D239-L361 HydrophobicContact CB-CB 3.6Å; D239-L361 VanDerWaalsContact OD2-CB 3.25Å; D239-L361 WeakPolarHBondContact OD2-CB 3.31Å; I242-L361 HydrophobicContact CG2-CD1 3.68Å; R283-L361 HydrophobicContact CB-CD1 4.06Å; R283-L361 HydrophobicContact CB-CD2 4.27Å; I315-L361 HydrophobicContact CD1-CD2 3.83Å; I315-L361 HydrophobicContact CG1-CD2 4.25Å; L357-L361 HydrophobicContact CD1-CD1 3.91Å; L357-L361 HydrophobicContact CD1-CG 4.08Å; L357-L361 HydrophobicContact CG-CD1 3.9Å; L357-L361 HydrophobicContact CG-CG 4.47Å; L357-L361 WeakPolarHBondContact O-CB 3.39Å; L357-L361 VanDerWaalsContact O-CG 3.29Å; L357-L361 WeakPolarHBondContact O-CG 3.44Å; L357-L361 PolarHBondContact O-N 3.23Å; Y359-L361 PolarHBondContact O-N 3.45Å; L361-R363 PolarHBondContact O-N 3.29Å; L361-K371 PolarHBondContact O-NZ 2.74Å |
| 362 | G | 97 | Very high | 97.3 | Very high | 28 Ų | 28 | 35 Ų | 35 | 29% | 0.289 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.6 | -17.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G237 A358 Y359 V360 A364 | G237-G362 WeakPolarHBondContact O-CA 3.04Å; A358-G362 PolarHBondContact O-N 2.84Å; Y359-G362 PolarHBondContact O-N 3.13Å; V360-G362 VanDerWaalsContact C-N 3.29Å; V360-G362 PolarHBondContact O-N 2.87Å; G362-A364 PolarHBondContact O-N 2.8Å |
| 363 | R | 96.2 | Very high | 97.1 | Very high | 33 Ų | 33 | 37.1 Ų | 37.1 | 13% | 0.125 | 23% | 0.226 | C | C | . | . | trans | -72.2 | 84.8 | 172.8 | -66 | -69.5 | -63.2 | -89.2 | -7.8 | 111.3 | E135 R235 Y359 V360 L361 D365 L366 K371 | E135-R363 IonicContact OE1-NH1 3.84Å; R235-R363 VanDerWaalsContact NE-CD 3.3Å; Y359-R363 PolarHBondContact O-N 3.32Å; Y359-R363 PolarHBondContact OH-NH1 2.95Å; V360-R363 WeakPolarHBondContact O-CB 3.44Å; V360-R363 PolarHBondContact O-N 3.48Å; L361-R363 PolarHBondContact O-N 3.29Å; R363-D365 WeakPolarHBondContact CA-OD1 3.25Å; R363-D365 WeakPolarHBondContact CB-OD1 3.43Å; R363-D365 IonicContact CZ-OD1 3.82Å; R363-D365 IonicContact CZ-OD2 2.86Å; R363-D365 IonicContact NE-OD1 3.78Å; R363-D365 PolarHBondContact NE-OD1 2.65Å; R363-D365 IonicContact NE-OD2 2.98Å; R363-D365 PolarHBondContact NE-OD2 3.32Å; R363-D365 VanDerWaalsContact NE-OD2 3.13Å; R363-D365 IonicContact NH2-OD1 3.48Å; R363-D365 IonicContact NH2-OD2 2.62Å; R363-D365 PolarHBondContact NH2-OD2 2.98Å; R363-D365 PolarHBondContact O-N 2.66Å; R363-L366 HydrophobicContact CB-CB 4.19Å; R363-L366 HydrophobicContact CB-CD1 3.63Å; R363-L366 HydrophobicContact CB-CG 3.81Å; R363-L366 HydrophobicContact CG-CD1 3.9Å; R363-L366 HydrophobicContact CG-CG 4.49Å; R363-L366 PolarHBondContact O-N 2.69Å; R363-K371 WeakPolarHBondContact O-CE 3.2Å; R363-K371 PolarHBondContact O-NZ 2.82Å | ||
| 364 | A | 94 | Very high | 96.9 | Very high | 101 Ų | 101 | 38.2 Ų | 38.2 | 84% | 0.835 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -21.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | G362 L366 | G362-A364 PolarHBondContact O-N 2.8Å; A364-L366 VanDerWaalsContact C-N 3.28Å; A364-L366 PolarHBondContact O-N 3.32Å |
| 365 | D | 95.5 | Very high | 96.8 | Very high | 98 Ų | 98 | 37.4 Ų | 37.4 | 52% | 0.524 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -8.1 | 178.4 | 59.6 | -56.5 | 0 | 0 | 0 | 114.3 | R363 | R363-D365 WeakPolarHBondContact CA-OD1 3.25Å; R363-D365 WeakPolarHBondContact CB-OD1 3.43Å; R363-D365 IonicContact CZ-OD1 3.82Å; R363-D365 IonicContact CZ-OD2 2.86Å; R363-D365 IonicContact NE-OD1 3.78Å; R363-D365 PolarHBondContact NE-OD1 2.65Å; R363-D365 IonicContact NE-OD2 2.98Å; R363-D365 PolarHBondContact NE-OD2 3.32Å; R363-D365 VanDerWaalsContact NE-OD2 3.13Å; R363-D365 IonicContact NH2-OD1 3.48Å; R363-D365 IonicContact NH2-OD2 2.62Å; R363-D365 PolarHBondContact NH2-OD2 2.98Å; R363-D365 PolarHBondContact O-N 2.66Å |
| 366 | L | 96.5 | Very high | 96.5 | Very high | 31 Ų | 31 | 39.8 Ų | 39.8 | 16% | 0.162 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -108.4 | 137.9 | -177.6 | -61.3 | -179 | 0 | 0 | 0 | 112 | R363 A364 E370 K371 L374 | R363-L366 HydrophobicContact CB-CB 4.19Å; R363-L366 HydrophobicContact CB-CD1 3.63Å; R363-L366 HydrophobicContact CB-CG 3.81Å; R363-L366 HydrophobicContact CG-CD1 3.9Å; R363-L366 HydrophobicContact CG-CG 4.49Å; R363-L366 PolarHBondContact O-N 2.69Å; A364-L366 VanDerWaalsContact C-N 3.28Å; A364-L366 PolarHBondContact O-N 3.32Å; L366-E370 HydrophobicContact CB-CB 4.07Å; L366-E370 HydrophobicContact CD2-CB 4.16Å; L366-K371 HydrophobicContact CB-CG 3.86Å; L366-K371 VanDerWaalsContact O-CE 3.29Å; L366-K371 WeakPolarHBondContact O-CE 3.31Å; L366-L374 HydrophobicContact CD1-CD2 3.63Å |
| 367 | S | 97.3 | Very high | 96.1 | Very high | 58 Ų | 58 | 44.7 Ų | 44.7 | 41% | 0.406 | 27% | 0.267 | S | S | . | . | trans | -65.2 | 163 | 167.2 | 68.8 | 0 | 0 | 0 | 0 | 111.7 | C369 E370 K371 | S367-C369 PolarHBondContact O-N 3.47Å; S367-E370 WeakPolarHBondContact CB-OE2 3.42Å; S367-E370 PolarHBondContact N-OE2 2.8Å; S367-E370 PolarHBondContact O-N 2.98Å; S367-E370 WeakPolarHBondContact OG-CG 3.06Å; S367-E370 PolarHBondContact OG-N 2.71Å; S367-E370 PolarHBondContact OG-OE2 3.17Å; S367-K371 WeakPolarHBondContact O-CG 3.23Å; S367-K371 PolarHBondContact O-N 3.12Å | ||
| 368 | L | 96.6 | Very high | 95.9 | Very high | 74 Ų | 74 | 47.7 Ų | 47.7 | 39% | 0.387 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.8 | -37.1 | 176 | -179.8 | 62 | 0 | 0 | 0 | 112.3 | G313 I315 K371 K372 | G313-L368 WeakPolarHBondContact O-CD1 3.37Å; I315-L368 HydrophobicContact CD1-CD1 3.99Å; I315-L368 HydrophobicContact CG1-CD1 3.8Å; L368-K371 PolarHBondContact O-N 3.18Å; L368-K372 HydrophobicContact CD1-CG 4.5Å; L368-K372 WeakPolarHBondContact O-CG 3.27Å; L368-K372 PolarHBondContact O-N 2.99Å |
| 369 | C | 96.4 | Very high | 95.7 | Very high | 97 Ų | 97 | 48.6 Ų | 48.6 | 66% | 0.655 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.9 | -47 | 177.9 | -169.9 | 0 | 0 | 0 | 0 | 111.2 | S367 K371 K372 A373 | S367-C369 PolarHBondContact O-N 3.47Å; C369-K371 VanDerWaalsContact C-N 3.34Å; C369-K371 PolarHBondContact O-N 3.2Å; C369-K372 PolarHBondContact O-N 3.09Å; C369-A373 PolarHBondContact O-N 3.39Å |
| 370 | E | 97.6 | Very high | 95.5 | Very high | 96 Ų | 96 | 50.1 Ų | 50.1 | 45% | 0.449 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 176.9 | -70 | 163 | 129.3 | 0 | 0 | 111.8 | L366 S367 A373 L374 | L366-E370 HydrophobicContact CB-CB 4.07Å; L366-E370 HydrophobicContact CD2-CB 4.16Å; S367-E370 WeakPolarHBondContact CB-OE2 3.42Å; S367-E370 PolarHBondContact N-OE2 2.8Å; S367-E370 PolarHBondContact O-N 2.98Å; S367-E370 WeakPolarHBondContact OG-CG 3.06Å; S367-E370 PolarHBondContact OG-N 2.71Å; S367-E370 PolarHBondContact OG-OE2 3.17Å; E370-A373 PolarHBondContact O-N 3.27Å; E370-L374 VanDerWaalsContact O-CB 3.3Å; E370-L374 WeakPolarHBondContact O-CB 3.3Å; E370-L374 PolarHBondContact O-N 3.1Å |
| 371 | K | 98 | Very high | 95.3 | Very high | 25 Ų | 25 | 50.1 Ų | 50.1 | 11% | 0.109 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.9 | -47 | 173.2 | -72.9 | -178.8 | -179.7 | -175.5 | 0 | 111.9 | I315 V360 L361 R363 L366 S367 L368 C369 A373 L374 M375 | I315-K371 HydrophobicContact CD1-CB 3.69Å; V360-K371 HydrophobicContact CG1-CB 3.54Å; V360-K371 HydrophobicContact CG1-CD 4.49Å; V360-K371 HydrophobicContact CG1-CG 3.77Å; V360-K371 WeakPolarHBondContact CG1-O 3.46Å; V360-K371 WeakPolarHBondContact O-CE 3.4Å; L361-K371 PolarHBondContact O-NZ 2.74Å; R363-K371 WeakPolarHBondContact O-CE 3.2Å; R363-K371 PolarHBondContact O-NZ 2.82Å; L366-K371 HydrophobicContact CB-CG 3.86Å; L366-K371 VanDerWaalsContact O-CE 3.29Å; L366-K371 WeakPolarHBondContact O-CE 3.31Å; S367-K371 WeakPolarHBondContact O-CG 3.23Å; S367-K371 PolarHBondContact O-N 3.12Å; L368-K371 PolarHBondContact O-N 3.18Å; C369-K371 VanDerWaalsContact C-N 3.34Å; C369-K371 PolarHBondContact O-N 3.2Å; K371-A373 VanDerWaalsContact C-N 3.34Å; K371-A373 PolarHBondContact O-N 3.09Å; K371-L374 PolarHBondContact O-N 3.46Å; K371-M375 PolarHBondContact O-N 2.85Å |
| 372 | K | 96.2 | Very high | 95.3 | Very high | 55 Ų | 55 | 49.6 Ų | 49.6 | 24% | 0.239 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 176.6 | -72.6 | -177.5 | 177.9 | -170.9 | 0 | 111.7 | I315 L343 L368 C369 M375 S376 | I315-K372 HydrophobicContact CD1-CG 4.42Å; I315-K372 HydrophobicContact CG1-CG 4.4Å; L343-K372 HydrophobicContact CD1-CB 4.09Å; L343-K372 HydrophobicContact CD1-CG 4.13Å; L343-K372 HydrophobicContact CD2-CB 4.19Å; L343-K372 HydrophobicContact CD2-CG 4.38Å; L368-K372 HydrophobicContact CD1-CG 4.5Å; L368-K372 WeakPolarHBondContact O-CG 3.27Å; L368-K372 PolarHBondContact O-N 2.99Å; C369-K372 PolarHBondContact O-N 3.09Å; K372-M375 PolarHBondContact O-N 2.65Å; K372-S376 PolarHBondContact O-OG 2.73Å |
| 373 | A | 94 | Very high | 95.1 | Very high | 43 Ų | 43 | 48.5 Ų | 48.5 | 36% | 0.355 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C369 E370 K371 M375 S376 Q377 | C369-A373 PolarHBondContact O-N 3.39Å; E370-A373 PolarHBondContact O-N 3.27Å; K371-A373 VanDerWaalsContact C-N 3.34Å; K371-A373 PolarHBondContact O-N 3.09Å; A373-M375 VanDerWaalsContact C-N 3.34Å; A373-M375 PolarHBondContact O-N 3.36Å; A373-S376 PolarHBondContact O-N 2.98Å; A373-S376 VanDerWaalsContact O-N 3.11Å; A373-Q377 WeakPolarHBondContact O-CG 3.45Å; A373-Q377 PolarHBondContact O-N 2.83Å |
| 374 | L | 95 | Very high | 94.7 | Very high | 24 Ų | 24 | 50.1 Ų | 50.1 | 13% | 0.126 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.6 | -36 | -179.3 | -166.8 | 63.1 | 0 | 0 | 0 | 112.6 | K356 Y359 V360 L366 E370 K371 S376 Q377 I379 | K356-L374 VanDerWaalsContact CE-O 3.26Å; K356-L374 WeakPolarHBondContact CE-O 3.48Å; K356-L374 PolarHBondContact NZ-O 3.38Å; Y359-L374 HydrophobicContact CE1-CD2 4.11Å; V360-L374 HydrophobicContact CG1-CB 4.5Å; V360-L374 HydrophobicContact CG2-CB 4.26Å; V360-L374 HydrophobicContact CG2-CD2 3.86Å; V360-L374 HydrophobicContact CG2-CG 3.97Å; L366-L374 HydrophobicContact CD1-CD2 3.63Å; E370-L374 VanDerWaalsContact O-CB 3.3Å; E370-L374 WeakPolarHBondContact O-CB 3.3Å; E370-L374 PolarHBondContact O-N 3.1Å; K371-L374 PolarHBondContact O-N 3.46Å; L374-S376 VanDerWaalsContact C-N 3.25Å; L374-S376 PolarHBondContact O-N 2.8Å; L374-Q377 PolarHBondContact O-N 2.85Å; L374-I379 HydrophobicContact CD1-CG2 3.65Å; L374-I379 HydrophobicContact CG-CG2 4.48Å |
| 375 | M | 95.7 | Very high | 93.7 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.8 | -35.3 | 173 | -79.7 | -54 | -49.5 | 0 | 0 | 112.8 | I315 V317 L343 K356 L357 V360 K371 K372 A373 | I315-M375 HydrophobicContact CG2-CG 4.28Å; V317-M375 HydrophobicContact CG1-CE 4.33Å; V317-M375 HydrophobicContact CG2-CE 3.75Å; L343-M375 HydrophobicContact CD1-CB 3.69Å; L343-M375 HydrophobicContact CD1-CG 4.19Å; K356-M375 HydrophobicContact CB-CE 4.15Å; K356-M375 HydrophobicContact CB-SD 4.34Å; K356-M375 HydrophobicContact CD-CE 3.89Å; K356-M375 HydrophobicContact CD-SD 4.22Å; K356-M375 WeakPolarHBondContact CE-O 3.43Å; K356-M375 HydrophobicContact CG-CE 3.96Å; K356-M375 HydrophobicContact CG-SD 3.82Å; K356-M375 PolarHBondContact NZ-O 3.25Å; L357-M375 HydrophobicContact CB-CE 4.46Å; L357-M375 HydrophobicContact CB-SD 4.32Å; L357-M375 HydrophobicContact CD1-SD 4.17Å; V360-M375 HydrophobicContact CB-CG 4.33Å; V360-M375 HydrophobicContact CB-SD 3.9Å; V360-M375 HydrophobicContact CG1-CG 4.11Å; V360-M375 HydrophobicContact CG1-SD 4.35Å; V360-M375 HydrophobicContact CG2-CG 4.2Å; V360-M375 HydrophobicContact CG2-SD 3.6Å; V360-M375 VanDerWaalsContact CG2-SD 3.6Å; K371-M375 PolarHBondContact O-N 2.85Å; K372-M375 PolarHBondContact O-N 2.65Å; A373-M375 VanDerWaalsContact C-N 3.34Å; A373-M375 PolarHBondContact O-N 3.36Å |
| 376 | S | 90.9 | Very high | 91.8 | Very high | 53 Ų | 53 | 48.2 Ų | 48.2 | 37% | 0.371 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -87.3 | -8.3 | -177.7 | -57.5 | 0 | 0 | 0 | 0 | 114.4 | K372 A373 L374 | K372-S376 PolarHBondContact O-OG 2.73Å; A373-S376 PolarHBondContact O-N 2.98Å; A373-S376 VanDerWaalsContact O-N 3.11Å; L374-S376 VanDerWaalsContact C-N 3.25Å; L374-S376 PolarHBondContact O-N 2.8Å |
| 377 | Q | 91.4 | Very high | 89.1 | Confident | 103 Ų | 103 | 54.5 Ų | 54.5 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -94.2 | 145.1 | 179.9 | -73.1 | 173 | 11.2 | 0 | 0 | 111.7 | K356 A373 L374 I379 | K356-Q377 PolarHBondContact NZ-O 3.16Å; A373-Q377 WeakPolarHBondContact O-CG 3.45Å; A373-Q377 PolarHBondContact O-N 2.83Å; L374-Q377 PolarHBondContact O-N 2.85Å; Q377-I379 HydrophobicContact CB-CG2 4.16Å; Q377-I379 PolarHBondContact O-N 3.24Å |
| 378 | N | 93 | Very high | 85.8 | Confident | 62 Ų | 62 | 59.6 Ų | 59.6 | 33% | 0.332 | 33% | 0.33 | S | S | . | . | trans | -73.5 | 111.1 | 167.1 | 177 | 11.5 | 0 | 0 | 0 | 109.9 | G381 E382 L383 V385 | N378-G381 WeakPolarHBondContact OD1-CA 3.49Å; N378-G381 PolarHBondContact OD1-N 2.64Å; N378-E382 PolarHBondContact OD1-OE2 2.96Å; N378-L383 HydrophobicContact CB-CD2 4.44Å; N378-L383 VanDerWaalsContact CB-O 3.32Å; N378-L383 WeakPolarHBondContact CB-O 3.35Å; N378-L383 PolarHBondContact ND2-O 3.19Å; N378-V385 HydrophobicContact CB-CG2 3.98Å | ||
| 379 | I | 93.8 | Very high | 82.6 | Confident | 19 Ų | 19 | 60.4 Ų | 60.4 | 10% | 0.097 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -111.2 | -20.6 | -174.9 | 58.8 | 170.3 | 0 | 0 | 0 | 114.2 | F132 F224 K356 Y359 L374 Q377 E382 | F132-I379 HydrophobicContact CD1-CD1 3.65Å; F132-I379 HydrophobicContact CD1-CG1 4.07Å; F132-I379 HydrophobicContact CE1-CD1 3.75Å; F132-I379 HydrophobicContact CE1-CG1 3.78Å; F224-I379 WeakPolarHBondContact CZ-O 3.08Å; K356-I379 HydrophobicContact CG-CD1 4.32Å; Y359-I379 HydrophobicContact CD1-CD1 4.21Å; Y359-I379 HydrophobicContact CE1-CD1 3.82Å; L374-I379 HydrophobicContact CD1-CG2 3.65Å; L374-I379 HydrophobicContact CG-CG2 4.48Å; Q377-I379 HydrophobicContact CB-CG2 4.16Å; Q377-I379 PolarHBondContact O-N 3.24Å; I379-E382 WeakPolarHBondContact CG1-OE1 3.17Å; I379-E382 PolarHBondContact N-OE1 3.45Å; I379-E382 PolarHBondContact N-OE2 2.81Å |
| 380 | R | 95.1 | Very high | 79.5 | Confident | 40 Ų | 40 | 63.4 Ų | 63.4 | 15% | 0.151 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -143.1 | 17.6 | -176.6 | -64.7 | -64.7 | -177 | -80.3 | -8.4 | 112.7 | S131 F132 F134 E135 N188 E382 | S131-R380 VanDerWaalsContact O-CD 3.23Å; S131-R380 WeakPolarHBondContact O-CD 3.03Å; S131-R380 WeakPolarHBondContact O-CG 2.84Å; S131-R380 PolarHBondContact O-NE 3.27Å; F132-R380 HydrophobicContact CD1-CB 4.37Å; F132-R380 HydrophobicContact CD1-CG 3.8Å; F132-R380 HydrophobicContact CE1-CB 4.15Å; F132-R380 HydrophobicContact CE1-CG 4.06Å; F134-R380 PolarHBondContact O-NE 3.26Å; F134-R380 VanDerWaalsContact O-NE 3.12Å; E135-R380 VanDerWaalsContact CA-NH2 3.34Å; E135-R380 VanDerWaalsContact CG-NH2 3.31Å; E135-R380 IonicContact OE1-NH2 3.36Å; N188-R380 VanDerWaalsContact ND2-CB 3.32Å; N188-R380 WeakPolarHBondContact ND2-CB 3.35Å; N188-R380 PolarHBondContact ND2-O 2.62Å; R380-E382 VanDerWaalsContact C-N 3.34Å; R380-E382 WeakPolarHBondContact CA-OE2 3.4Å; R380-E382 PolarHBondContact N-OE2 3.39Å |
| 381 | G | 94.2 | Very high | 76.6 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 36% | 0.36 | C | S | . | . | S | Bend | trans | 83.8 | 6.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R186 R189 N378 | R186-G381 WeakPolarHBondContact CD-O 3.38Å; R186-G381 PolarHBondContact NH1-O 3.01Å; R189-G381 PolarHBondContact NE-O 3.3Å; R189-G381 PolarHBondContact NH2-O 2.93Å; N378-G381 WeakPolarHBondContact OD1-CA 3.49Å; N378-G381 PolarHBondContact OD1-N 2.64Å |
| 382 | E | 96.5 | Very high | 73.9 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 38% | 0.379 | C | S | . | . | trans | -76.9 | -22.9 | -172.8 | 78.4 | -72.8 | 175.6 | 0 | 0 | 114.3 | F132 N188 R189 L348 A352 K356 N378 I379 R380 | F132-E382 HydrophobicContact CE1-CG 4.12Å; F132-E382 HydrophobicContact CZ-CB 4.06Å; F132-E382 HydrophobicContact CZ-CG 3.83Å; N188-E382 HydrophobicContact CB-CB 4.04Å; N188-E382 WeakPolarHBondContact OD1-CA 3.26Å; R189-E382 WeakPolarHBondContact CD-O 3.33Å; R189-E382 PolarHBondContact NE-O 3.42Å; R189-E382 PolarHBondContact NH1-O 3.13Å; L348-E382 HydrophobicContact CD2-CB 3.96Å; L348-E382 HydrophobicContact CD2-CG 3.4Å; A352-E382 HydrophobicContact CB-CB 4.42Å; K356-E382 HydrophobicContact CD-CG 4.26Å; K356-E382 VanDerWaalsContact CE-OE1 3.3Å; K356-E382 WeakPolarHBondContact CE-OE1 3.23Å; K356-E382 IonicContact NZ-OE1 3.38Å; K356-E382 PolarHBondContact NZ-OE1 2.88Å; N378-E382 PolarHBondContact OD1-OE2 2.96Å; I379-E382 WeakPolarHBondContact CG1-OE1 3.17Å; I379-E382 PolarHBondContact N-OE1 3.45Å; I379-E382 PolarHBondContact N-OE2 2.81Å; R380-E382 VanDerWaalsContact C-N 3.34Å; R380-E382 WeakPolarHBondContact CA-OE2 3.4Å; R380-E382 PolarHBondContact N-OE2 3.39Å | ||
| 383 | L | 93 | Very high | 71.4 | Confident | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.021 | 40% | 0.404 | C | S | . | . | trans | -133 | 139.8 | -172.4 | 174.9 | 148.1 | 0 | 0 | 0 | 110.4 | L348 N378 V385 | L348-L383 HydrophobicContact CD1-CD1 4.22Å; L348-L383 HydrophobicContact CD2-CB 4.21Å; L348-L383 HydrophobicContact CG-CB 4.33Å; L348-L383 HydrophobicContact CG-CD1 4.09Å; N378-L383 HydrophobicContact CB-CD2 4.44Å; N378-L383 VanDerWaalsContact CB-O 3.32Å; N378-L383 WeakPolarHBondContact CB-O 3.35Å; N378-L383 PolarHBondContact ND2-O 3.19Å; L383-V385 HydrophobicContact CD2-CB 4.45Å; L383-V385 HydrophobicContact CD2-CG2 3.61Å | ||
| 384 | T | 88.7 | Confident | 69.2 | Low | 68 Ų | 68 | 74.3 Ų | 74.3 | 42% | 0.417 | 40% | 0.4 | S | S | . | . | trans | -93.5 | 114.6 | 171.5 | -49.1 | 0 | 0 | 0 | 0 | 108.4 | R189 S346 D347 | R189-T384 PolarHBondContact NH2-OG1 2.8Å; S346-T384 PolarHBondContact OG-O 3.47Å; D347-T384 PolarHBondContact OD1-N 3.12Å; D347-T384 VanDerWaalsContact OD2-CB 3.24Å; D347-T384 WeakPolarHBondContact OD2-CB 3.44Å; D347-T384 PolarHBondContact OD2-OG1 3.29Å | ||
| 385 | V | 72.3 | Confident | 67.7 | Low | 75 Ų | 75 | 79.6 Ų | 79.6 | 46% | 0.455 | 42% | 0.423 | S | S | . | . | trans | -78.1 | 133.3 | 174.5 | -177.1 | 0 | 0 | 0 | 0 | 107.7 | N378 L383 M387 | N378-V385 HydrophobicContact CB-CG2 3.98Å; L383-V385 HydrophobicContact CD2-CB 4.45Å; L383-V385 HydrophobicContact CD2-CG2 3.61Å; V385-M387 PolarHBondContact O-N 3.37Å | ||
| 386 | A | 55.9 | Low | 66.4 | Low | 84 Ų | 84 | 85.6 Ų | 85.6 | 69% | 0.694 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -69.6 | 70.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 387 | M | 39.5 | Very low | 65.8 | Low | 163 Ų | 163 | 86.8 Ų | 86.8 | 80% | 0.803 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -133.4 | 125.3 | 159.1 | -88.7 | -166.8 | 146.6 | 0 | 0 | 106.3 | V385 S389 | V385-M387 PolarHBondContact O-N 3.37Å; M387-S389 PolarHBondContact O-N 3.37Å |
| 388 | E | 28.6 | Very low | 65.1 | Low | 165 Ų | 165 | 82 Ų | 82 | 77% | 0.771 | 43% | 0.431 | S | S | * | . | trans | -47.9 | 108.1 | 175.1 | -68.7 | 178.2 | 161.9 | 0 | 0 | 109.3 | H390 | E388-H390 VanDerWaalsContact C-N 3.35Å; E388-H390 PolarHBondContact O-N 3.48Å; E388-H390 IonicContact OE2-CE1 3.35Å | ||
| 389 | S | 28.8 | Very low | 64.4 | Low | 90 Ų | 90 | 82.2 Ų | 82.2 | 63% | 0.629 | 44% | 0.435 | S | S | * | . | trans | -64.7 | 103.3 | 164.6 | 54.7 | 0 | 0 | 0 | 0 | 106.5 | M387 I391 | M387-S389 PolarHBondContact O-N 3.37Å; S389-I391 PolarHBondContact O-N 2.87Å | ||
| 390 | H | 32.3 | Very low | 63.9 | Low | 161 Ų | 161 | 87 Ų | 87 | 75% | 0.745 | 46% | 0.455 | S | S | * | . | trans | -65.3 | 41 | 163.1 | -68.4 | -47.9 | 0 | 0 | 0 | 111.8 | E388 G392 | E388-H390 VanDerWaalsContact C-N 3.35Å; E388-H390 PolarHBondContact O-N 3.48Å; E388-H390 IonicContact OE2-CE1 3.35Å; H390-G392 PolarHBondContact O-N 2.84Å | ||
| 391 | I | 36.4 | Very low | 63.4 | Low | 145 Ų | 145 | 88.5 Ų | 88.5 | 74% | 0.744 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 82.2 | 174.3 | -55.9 | 172.9 | 0 | 0 | 0 | 105.3 | S389 | S389-I391 PolarHBondContact O-N 2.87Š|
| 392 | G | 40.2 | Very low | 63 | Low | 50 Ų | 50 | 88.8 Ų | 88.8 | 52% | 0.515 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 177 | 6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | H390 D394 | H390-G392 PolarHBondContact O-N 2.84Å; G392-D394 PolarHBondContact O-N 3.5Å; G392-D394 VanDerWaalsContact O-N 3.14Å |
| 393 | R | 43.5 | Very low | 62.5 | Low | 204 Ų | 204 | 92 Ų | 92 | 77% | 0.77 | 49% | 0.493 | S | S | * | . | trans | -87.2 | 69.9 | 166.5 | -73.3 | -168.6 | -173.8 | 175.6 | 4.2 | 110.8 | H395 | R393-H395 PolarHBondContact O-N 3.24Š| ||
| 394 | D | 49.2 | Very low | 62.3 | Low | 49 Ų | 49 | 97 Ų | 97 | 26% | 0.262 | 53% | 0.527 | S | S | . | . | trans | -71.8 | 51.2 | 161.8 | -80.3 | -39.2 | 0 | 0 | 0 | 111 | G392 T399 R417 | G392-D394 PolarHBondContact O-N 3.5Å; G392-D394 VanDerWaalsContact O-N 3.14Å; D394-T399 PolarHBondContact O-OG1 2.92Å; D394-R417 IonicContact OD1-CZ 2.7Å; D394-R417 IonicContact OD1-NE 3.34Å; D394-R417 IonicContact OD1-NH1 2.72Å; D394-R417 PolarHBondContact OD1-NH1 3.34Å; D394-R417 VanDerWaalsContact OD1-NH1 3.17Å; D394-R417 IonicContact OD1-NH2 3.79Å; D394-R417 IonicContact OD2-CZ 3.07Å; D394-R417 IonicContact OD2-NH1 3.79Å; D394-R417 PolarHBondContact OD2-NH1 3.07Å; D394-R417 IonicContact OD2-NH2 2.54Å; D394-R417 PolarHBondContact OD2-NH2 3.39Å | ||
| 395 | H | 62.1 | Low | 62.4 | Low | 134 Ų | 134 | 98.6 Ų | 98.6 | 62% | 0.62 | 53% | 0.532 | S | S | * | . | trans | -114.8 | -16.6 | -151 | -88.4 | -50.4 | 0 | 0 | 0 | 121 | R393 T399 | R393-H395 PolarHBondContact O-N 3.24Å; H395-T399 WeakPolarHBondContact O-CB 3.35Å; H395-T399 PolarHBondContact O-OG1 3.46Å | ||
| 396 | E | 69.5 | Low | 63.2 | Low | 128 Ų | 128 | 101.6 Ų | 101.6 | 60% | 0.598 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -120.8 | -58 | 178.8 | -153.7 | 172.2 | 177.2 | 0 | 0 | 114.8 | K400 | E396-K400 HydrophobicContact CG-CD 3.97Å; E396-K400 VanDerWaalsContact CG-CE 3.46Å; E396-K400 HydrophobicContact CG-CG 4.46Å; E396-K400 WeakPolarHBondContact O-CB 3.29Å; E396-K400 WeakPolarHBondContact O-CG 3.4Å; E396-K400 PolarHBondContact O-N 3.36Å; E396-K400 VanDerWaalsContact OE1-CE 3.25Å; E396-K400 WeakPolarHBondContact OE1-CE 3.43Å; E396-K400 IonicContact OE1-NZ 2.69Å; E396-K400 PolarHBondContact OE1-NZ 3.37Å |
| 397 | L | 77.6 | Confident | 64.6 | Low | 78 Ų | 78 | 99.6 Ų | 99.6 | 41% | 0.408 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.1 | -53.3 | -174.4 | -175.2 | 64 | 0 | 0 | 0 | 112.4 | T399 K400 M401 M420 L424 | L397-T399 PolarHBondContact O-N 3.5Å; L397-K400 PolarHBondContact O-N 2.93Å; L397-M401 HydrophobicContact CD1-CE 3.98Å; L397-M401 HydrophobicContact CG-CE 4.48Å; L397-M401 WeakPolarHBondContact O-CB 3.48Å; L397-M401 WeakPolarHBondContact O-CG 3.33Å; L397-M401 PolarHBondContact O-N 3.11Å; L397-M420 HydrophobicContact CD2-CE 4.01Å; L397-M420 HydrophobicContact CD2-SD 3.87Å; L397-M420 HydrophobicContact CG-CE 4.3Å; L397-M420 HydrophobicContact CG-SD 4.03Å; L397-L424 HydrophobicContact CD2-CD1 3.86Å |
| 398 | V | 77.9 | Confident | 66.6 | Low | 4 Ų | 4 | 97.6 Ų | 97.6 | 2% | 0.024 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 178.8 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | K400 M401 A402 L413 L416 R417 M420 Y421 | V398-K400 PolarHBondContact O-N 3.19Å; V398-M401 PolarHBondContact O-N 2.94Å; V398-A402 WeakPolarHBondContact O-CB 3.46Å; V398-A402 PolarHBondContact O-N 2.94Å; V398-L413 HydrophobicContact CG1-CD2 4.41Å; V398-L416 HydrophobicContact CG1-CD2 4.19Å; V398-R417 HydrophobicContact CG1-CG 4.05Å; V398-R417 HydrophobicContact CG2-CG 3.92Å; V398-M420 HydrophobicContact CG2-CE 3.67Å; V398-Y421 HydrophobicContact CG2-CE2 4.1Å; V398-Y421 VanDerWaalsContact CG2-OH 3.23Å; V398-Y421 WeakPolarHBondContact CG2-OH 3.25Å |
| 399 | T | 77 | Confident | 69.2 | Low | 65 Ų | 65 | 92.8 Ų | 92.8 | 40% | 0.399 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 178.5 | -43.8 | 0 | 0 | 0 | 0 | 111.8 | D394 H395 L397 A402 A403 | D394-T399 PolarHBondContact O-OG1 2.92Å; H395-T399 WeakPolarHBondContact O-CB 3.35Å; H395-T399 PolarHBondContact O-OG1 3.46Å; L397-T399 PolarHBondContact O-N 3.5Å; T399-A402 PolarHBondContact O-N 3.35Å; T399-A403 WeakPolarHBondContact O-CB 3.4Å; T399-A403 PolarHBondContact O-N 2.96Å |
| 400 | K | 83.8 | Confident | 71.5 | Confident | 121 Ų | 121 | 94.5 Ų | 94.5 | 53% | 0.526 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.3 | -44.5 | 178.2 | -76.1 | 180 | -179.2 | 177.1 | 0 | 111.5 | E396 L397 V398 A403 C404 | E396-K400 HydrophobicContact CG-CD 3.97Å; E396-K400 VanDerWaalsContact CG-CE 3.46Å; E396-K400 HydrophobicContact CG-CG 4.46Å; E396-K400 WeakPolarHBondContact O-CB 3.29Å; E396-K400 WeakPolarHBondContact O-CG 3.4Å; E396-K400 PolarHBondContact O-N 3.36Å; E396-K400 VanDerWaalsContact OE1-CE 3.25Å; E396-K400 WeakPolarHBondContact OE1-CE 3.43Å; E396-K400 IonicContact OE1-NZ 2.69Å; E396-K400 PolarHBondContact OE1-NZ 3.37Å; L397-K400 PolarHBondContact O-N 2.93Å; V398-K400 PolarHBondContact O-N 3.19Å; K400-A403 PolarHBondContact O-N 2.94Å; K400-C404 PolarHBondContact O-N 3.02Å; K400-C404 PolarHBondContact O-SG 3.26Å |
| 401 | M | 84.7 | Confident | 73.6 | Confident | 71 Ų | 71 | 93.8 Ų | 93.8 | 35% | 0.35 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 177.3 | -75.8 | -164.8 | 178.1 | 0 | 0 | 112.4 | L397 V398 A403 C404 L405 L416 M420 | L397-M401 HydrophobicContact CD1-CE 3.98Å; L397-M401 HydrophobicContact CG-CE 4.48Å; L397-M401 WeakPolarHBondContact O-CB 3.48Å; L397-M401 WeakPolarHBondContact O-CG 3.33Å; L397-M401 PolarHBondContact O-N 3.11Å; V398-M401 PolarHBondContact O-N 2.94Å; M401-A403 VanDerWaalsContact C-N 3.31Å; M401-A403 PolarHBondContact O-N 3.25Å; M401-C404 PolarHBondContact O-N 3.48Å; M401-L405 WeakPolarHBondContact O-CB 3.33Å; M401-L405 WeakPolarHBondContact O-CG 3.13Å; M401-L405 PolarHBondContact O-N 3.2Å; M401-L416 HydrophobicContact CB-CD2 3.9Å; M401-M420 HydrophobicContact CE-SD 3.81Å; M401-M420 HydrophobicContact SD-CG 4.24Å; M401-M420 HydrophobicContact SD-SD 3.24Å |
| 402 | A | 85.3 | Confident | 75.9 | Confident | 5 Ų | 5 | 90.1 Ų | 90.1 | 4% | 0.041 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V398 T399 L405 N406 L407 L413 L416 | V398-A402 WeakPolarHBondContact O-CB 3.46Å; V398-A402 PolarHBondContact O-N 2.94Å; T399-A402 PolarHBondContact O-N 3.35Å; A402-L405 CarbonylContact O-C 3.47Å; A402-L405 PolarHBondContact O-N 2.67Å; A402-N406 PolarHBondContact O-N 2.96Å; A402-L407 HydrophobicContact CB-CB 4.18Å; A402-L407 PolarHBondContact O-N 2.63Å; A402-L413 HydrophobicContact CB-CD2 3.26Å; A402-L416 HydrophobicContact CB-CD2 4.2Å |
| 403 | A | 86.7 | Confident | 77.9 | Confident | 68 Ų | 68 | 89.8 Ų | 89.8 | 56% | 0.562 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.8 | -43.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | T399 K400 M401 L405 N406 | T399-A403 WeakPolarHBondContact O-CB 3.4Å; T399-A403 PolarHBondContact O-N 2.96Å; K400-A403 PolarHBondContact O-N 2.94Å; M401-A403 VanDerWaalsContact C-N 3.31Å; M401-A403 PolarHBondContact O-N 3.25Å; A403-L405 VanDerWaalsContact C-N 3.28Å; A403-L405 PolarHBondContact O-N 2.9Å; A403-N406 PolarHBondContact O-N 3.08Å |
| 404 | C | 88.9 | Confident | 79.5 | Confident | 108 Ų | 108 | 85.8 Ų | 85.8 | 73% | 0.73 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.5 | -31.1 | 175.9 | -68.9 | 0 | 0 | 0 | 0 | 113.4 | K400 M401 | K400-C404 PolarHBondContact O-N 3.02Å; K400-C404 PolarHBondContact O-SG 3.26Å; M401-C404 PolarHBondContact O-N 3.48Å |
| 405 | L | 89.7 | Confident | 81.1 | Confident | 102 Ų | 102 | 87.5 Ų | 87.5 | 53% | 0.534 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 3.4 | -178.3 | -66.1 | 174 | 0 | 0 | 0 | 113.2 | M401 A402 A403 L407 L416 | M401-L405 WeakPolarHBondContact O-CB 3.33Å; M401-L405 WeakPolarHBondContact O-CG 3.13Å; M401-L405 PolarHBondContact O-N 3.2Å; A402-L405 CarbonylContact O-C 3.47Å; A402-L405 PolarHBondContact O-N 2.67Å; A403-L405 VanDerWaalsContact C-N 3.28Å; A403-L405 PolarHBondContact O-N 2.9Å; L405-L407 HydrophobicContact CB-CD1 3.93Å; L405-L407 HydrophobicContact CB-CD2 4.32Å; L405-L407 HydrophobicContact CB-CG 3.67Å; L405-L407 HydrophobicContact CD1-CD1 4.02Å; L405-L407 PolarHBondContact O-N 3.34Å; L405-L416 HydrophobicContact CD1-CD1 3.83Å |
| 406 | N | 89.4 | Confident | 82.3 | Confident | 139 Ų | 139 | 82.1 Ų | 82.1 | 74% | 0.743 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 35.4 | -173.7 | -63.8 | -49.7 | 0 | 0 | 0 | 113.8 | A402 A403 | A402-N406 PolarHBondContact O-N 2.96Å; A403-N406 PolarHBondContact O-N 3.08Å |
| 407 | L | 86.5 | Confident | 82.8 | Confident | 42 Ų | 42 | 79.6 Ų | 79.6 | 22% | 0.22 | 43% | 0.427 | C | S | . | . | trans | -84.3 | 126.5 | 177.7 | -57.7 | 179.4 | 0 | 0 | 0 | 109.5 | A402 L405 E412 L416 | A402-L407 HydrophobicContact CB-CB 4.18Å; A402-L407 PolarHBondContact O-N 2.63Å; L405-L407 HydrophobicContact CB-CD1 3.93Å; L405-L407 HydrophobicContact CB-CD2 4.32Å; L405-L407 HydrophobicContact CB-CG 3.67Å; L405-L407 HydrophobicContact CD1-CD1 4.02Å; L405-L407 PolarHBondContact O-N 3.34Å; L407-E412 HydrophobicContact CB-CB 3.89Å; L407-E412 HydrophobicContact CD1-CB 4.34Å; L407-E412 HydrophobicContact CD2-CB 3.94Å; L407-E412 HydrophobicContact CD2-CG 3.97Å; L407-E412 HydrophobicContact CG-CB 4.23Å; L407-L416 HydrophobicContact CD1-CB 4.13Å; L407-L416 HydrophobicContact CD1-CD1 4.43Å; L407-L416 HydrophobicContact CD1-CD2 4.15Å; L407-L416 HydrophobicContact CD1-CG 4.47Å | ||
| 408 | T | 80.5 | Confident | 82.8 | Confident | 121 Ų | 121 | 80.5 Ų | 80.5 | 74% | 0.742 | 43% | 0.429 | S | S | * | . | trans | -126.1 | -23 | -171.8 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | E412 | T408-E412 PolarHBondContact N-OE2 3.15Š| ||
| 409 | T | 82.9 | Confident | 83.1 | Confident | 64 Ų | 64 | 86.2 Ų | 86.2 | 39% | 0.393 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -87.3 | 150.4 | -177 | 69.8 | 0 | 0 | 0 | 0 | 111.6 | Q411 E412 L413 | T409-Q411 PolarHBondContact O-N 3.39Å; T409-E412 WeakPolarHBondContact CB-OE2 3.37Å; T409-E412 PolarHBondContact N-OE2 2.57Å; T409-E412 PolarHBondContact O-N 2.61Å; T409-E412 WeakPolarHBondContact OG1-CB 3.12Å; T409-E412 WeakPolarHBondContact OG1-CG 3.47Å; T409-E412 PolarHBondContact OG1-N 2.88Å; T409-E412 VanDerWaalsContact OG1-N 3.12Å; T409-E412 PolarHBondContact OG1-OE2 2.94Å; T409-L413 WeakPolarHBondContact O-CG 3.43Å; T409-L413 PolarHBondContact O-N 2.66Å |
| 410 | T | 78.7 | Confident | 83.6 | Confident | 126 Ų | 126 | 83.8 Ų | 83.8 | 77% | 0.773 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -58.5 | -32.9 | 175 | -47.8 | 0 | 0 | 0 | 0 | 112.1 | R414 | T410-R414 VanDerWaalsContact O-CB 3.3Å; T410-R414 WeakPolarHBondContact O-CB 3.34Å; T410-R414 PolarHBondContact O-N 2.99Å |
| 411 | Q | 76.2 | Confident | 83.7 | Confident | 146 Ų | 146 | 78.8 Ų | 78.8 | 68% | 0.682 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -69.5 | -44.4 | 177.8 | -174.6 | 171.5 | -2.1 | 0 | 0 | 111.7 | T409 R414 L415 | T409-Q411 PolarHBondContact O-N 3.39Å; Q411-R414 PolarHBondContact O-N 2.6Å; Q411-L415 HydrophobicContact CG-CD1 4.28Å; Q411-L415 WeakPolarHBondContact O-CG 3.36Å; Q411-L415 PolarHBondContact O-N 2.88Å |
| 412 | E | 84 | Confident | 83.8 | Confident | 67 Ų | 67 | 76.4 Ų | 76.4 | 31% | 0.313 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 175.1 | -73.5 | 163 | 155.7 | 0 | 0 | 111.8 | L407 T408 T409 R414 L415 L416 | L407-E412 HydrophobicContact CB-CB 3.89Å; L407-E412 HydrophobicContact CD1-CB 4.34Å; L407-E412 HydrophobicContact CD2-CB 3.94Å; L407-E412 HydrophobicContact CD2-CG 3.97Å; L407-E412 HydrophobicContact CG-CB 4.23Å; T408-E412 PolarHBondContact N-OE2 3.15Å; T409-E412 WeakPolarHBondContact CB-OE2 3.37Å; T409-E412 PolarHBondContact N-OE2 2.57Å; T409-E412 PolarHBondContact O-N 2.61Å; T409-E412 WeakPolarHBondContact OG1-CB 3.12Å; T409-E412 WeakPolarHBondContact OG1-CG 3.47Å; T409-E412 PolarHBondContact OG1-N 2.88Å; T409-E412 VanDerWaalsContact OG1-N 3.12Å; T409-E412 PolarHBondContact OG1-OE2 2.94Å; E412-R414 VanDerWaalsContact C-N 3.27Å; E412-R414 PolarHBondContact O-N 2.92Å; E412-L415 PolarHBondContact O-N 2.84Å; E412-L416 WeakPolarHBondContact O-CB 3.42Å; E412-L416 PolarHBondContact O-N 3.5Å |
| 413 | L | 81.1 | Confident | 84 | Confident | 44 Ų | 44 | 82.5 Ų | 82.5 | 23% | 0.23 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 176.4 | -69.1 | 177.9 | 0 | 0 | 0 | 111.7 | V398 A402 T409 R417 | V398-L413 HydrophobicContact CG1-CD2 4.41Å; A402-L413 HydrophobicContact CB-CD2 3.26Å; T409-L413 WeakPolarHBondContact O-CG 3.43Å; T409-L413 PolarHBondContact O-N 2.66Å; L413-R417 VanDerWaalsContact O-CG 3.26Å; L413-R417 WeakPolarHBondContact O-CG 3.22Å; L413-R417 PolarHBondContact O-N 3.13Å; L413-R417 VanDerWaalsContact O-N 3.16Å |
| 414 | R | 78.3 | Confident | 84.2 | Confident | 119 Ų | 119 | 82 Ų | 82 | 45% | 0.449 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.7 | -48.4 | 175.9 | -179.4 | 178.5 | 172.9 | 175.5 | -2 | 111.6 | T410 Q411 E412 L416 R417 E418 | T410-R414 VanDerWaalsContact O-CB 3.3Å; T410-R414 WeakPolarHBondContact O-CB 3.34Å; T410-R414 PolarHBondContact O-N 2.99Å; Q411-R414 PolarHBondContact O-N 2.6Å; E412-R414 VanDerWaalsContact C-N 3.27Å; E412-R414 PolarHBondContact O-N 2.92Å; R414-L416 VanDerWaalsContact C-N 3.29Å; R414-L416 PolarHBondContact O-N 2.93Å; R414-R417 WeakPolarHBondContact O-CB 3.37Å; R414-R417 PolarHBondContact O-N 3.03Å; R414-R417 VanDerWaalsContact O-N 3.13Å; R414-E418 HydrophobicContact CG-CG 4.41Å; R414-E418 IonicContact CZ-OE1 2.61Å; R414-E418 IonicContact NE-OE1 2.75Å; R414-E418 PolarHBondContact NE-OE1 2.99Å; R414-E418 IonicContact NH2-OE1 2.84Å; R414-E418 PolarHBondContact NH2-OE1 3.38Å; R414-E418 WeakPolarHBondContact O-CG 3.22Å; R414-E418 PolarHBondContact O-N 3.42Å |
| 415 | L | 82.8 | Confident | 84.4 | Confident | 86 Ų | 86 | 77 Ų | 77 | 45% | 0.45 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.3 | -41.2 | 177.1 | -72.6 | 170.3 | 0 | 0 | 0 | 111.5 | Q411 E412 R417 E418 L419 | Q411-L415 HydrophobicContact CG-CD1 4.28Å; Q411-L415 WeakPolarHBondContact O-CG 3.36Å; Q411-L415 PolarHBondContact O-N 2.88Å; E412-L415 PolarHBondContact O-N 2.84Å; L415-R417 VanDerWaalsContact C-N 3.33Å; L415-R417 PolarHBondContact O-N 2.75Å; L415-E418 PolarHBondContact O-N 3.15Å; L415-L419 WeakPolarHBondContact O-CB 2.9Å; L415-L419 WeakPolarHBondContact O-CG 3.38Å; L415-L419 PolarHBondContact O-N 3.32Å |
| 416 | L | 86.5 | Confident | 84.5 | Confident | 21 Ų | 21 | 76.8 Ų | 76.8 | 11% | 0.11 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.5 | -46.1 | 175.1 | -179.6 | 66.8 | 0 | 0 | 0 | 111.2 | V398 M401 A402 L405 L407 E412 R414 L419 M420 | V398-L416 HydrophobicContact CG1-CD2 4.19Å; M401-L416 HydrophobicContact CB-CD2 3.9Å; A402-L416 HydrophobicContact CB-CD2 4.2Å; L405-L416 HydrophobicContact CD1-CD1 3.83Å; L407-L416 HydrophobicContact CD1-CB 4.13Å; L407-L416 HydrophobicContact CD1-CD1 4.43Å; L407-L416 HydrophobicContact CD1-CD2 4.15Å; L407-L416 HydrophobicContact CD1-CG 4.47Å; E412-L416 WeakPolarHBondContact O-CB 3.42Å; E412-L416 PolarHBondContact O-N 3.5Å; R414-L416 VanDerWaalsContact C-N 3.29Å; R414-L416 PolarHBondContact O-N 2.93Å; L416-L419 PolarHBondContact O-N 3.25Å; L416-M420 WeakPolarHBondContact O-CB 3.21Å; L416-M420 PolarHBondContact O-N 2.74Å |
| 417 | R | 80.7 | Confident | 84.6 | Confident | 74 Ų | 74 | 74.6 Ų | 74.6 | 28% | 0.279 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 177.5 | -66.4 | 171.1 | -161.3 | -167 | -2.4 | 111.9 | D394 V398 L413 R414 L415 L419 M420 Y421 | D394-R417 IonicContact OD1-CZ 2.7Å; D394-R417 IonicContact OD1-NE 3.34Å; D394-R417 IonicContact OD1-NH1 2.72Å; D394-R417 PolarHBondContact OD1-NH1 3.34Å; D394-R417 VanDerWaalsContact OD1-NH1 3.17Å; D394-R417 IonicContact OD1-NH2 3.79Å; D394-R417 IonicContact OD2-CZ 3.07Å; D394-R417 IonicContact OD2-NH1 3.79Å; D394-R417 PolarHBondContact OD2-NH1 3.07Å; D394-R417 IonicContact OD2-NH2 2.54Å; D394-R417 PolarHBondContact OD2-NH2 3.39Å; V398-R417 HydrophobicContact CG1-CG 4.05Å; V398-R417 HydrophobicContact CG2-CG 3.92Å; L413-R417 VanDerWaalsContact O-CG 3.26Å; L413-R417 WeakPolarHBondContact O-CG 3.22Å; L413-R417 PolarHBondContact O-N 3.13Å; L413-R417 VanDerWaalsContact O-N 3.16Å; R414-R417 WeakPolarHBondContact O-CB 3.37Å; R414-R417 PolarHBondContact O-N 3.03Å; R414-R417 VanDerWaalsContact O-N 3.13Å; L415-R417 VanDerWaalsContact C-N 3.33Å; L415-R417 PolarHBondContact O-N 2.75Å; R417-L419 VanDerWaalsContact C-N 3.26Å; R417-L419 PolarHBondContact O-N 3.09Å; R417-M420 PolarHBondContact O-N 3.01Å; R417-Y421 HydrophobicContact CB-CD2 3.8Å; R417-Y421 HydrophobicContact CB-CE2 3.81Å; R417-Y421 HydrophobicContact CG-CD2 4.28Å; R417-Y421 HydrophobicContact CG-CE2 3.77Å; R417-Y421 WeakPolarHBondContact O-CD2 3.5Å; R417-Y421 PolarHBondContact O-N 2.8Å |
| 418 | E | 78.1 | Confident | 85 | Confident | 98 Ų | 98 | 72.6 Ų | 72.6 | 46% | 0.458 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64 | -29.4 | -179.3 | -73.7 | 176.4 | 177.5 | 0 | 0 | 112.3 | R414 L415 P422 | R414-E418 HydrophobicContact CG-CG 4.41Å; R414-E418 IonicContact CZ-OE1 2.61Å; R414-E418 IonicContact NE-OE1 2.75Å; R414-E418 PolarHBondContact NE-OE1 2.99Å; R414-E418 IonicContact NH2-OE1 2.84Å; R414-E418 PolarHBondContact NH2-OE1 3.38Å; R414-E418 WeakPolarHBondContact O-CG 3.22Å; R414-E418 PolarHBondContact O-N 3.42Å; L415-E418 PolarHBondContact O-N 3.15Å; E418-P422 VanDerWaalsContact O-CD 3.22Å; E418-P422 WeakPolarHBondContact O-CD 3.22Å; E418-P422 WeakPolarHBondContact O-CG 3.33Å |
| 419 | L | 83.8 | Confident | 85.7 | Confident | 124 Ų | 124 | 66.8 Ų | 66.8 | 65% | 0.649 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -85.8 | -42.4 | 174.6 | -68.4 | 171 | 0 | 0 | 0 | 112.8 | L415 L416 R417 | L415-L419 WeakPolarHBondContact O-CB 2.9Å; L415-L419 WeakPolarHBondContact O-CG 3.38Å; L415-L419 PolarHBondContact O-N 3.32Å; L416-L419 PolarHBondContact O-N 3.25Å; R417-L419 VanDerWaalsContact C-N 3.26Å; R417-L419 PolarHBondContact O-N 3.09Å |
| 420 | M | 86.6 | Confident | 86.2 | Confident | 14 Ų | 14 | 66.1 Ų | 66.1 | 7% | 0.069 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -76.1 | -51.2 | -170.9 | -179.2 | -169.3 | 61.7 | 0 | 0 | 112.5 | L397 V398 M401 L416 R417 M423 L424 | L397-M420 HydrophobicContact CD2-CE 4.01Å; L397-M420 HydrophobicContact CD2-SD 3.87Å; L397-M420 HydrophobicContact CG-CE 4.3Å; L397-M420 HydrophobicContact CG-SD 4.03Å; V398-M420 HydrophobicContact CG2-CE 3.67Å; M401-M420 HydrophobicContact CE-SD 3.81Å; M401-M420 HydrophobicContact SD-CG 4.24Å; M401-M420 HydrophobicContact SD-SD 3.24Å; L416-M420 WeakPolarHBondContact O-CB 3.21Å; L416-M420 PolarHBondContact O-N 2.74Å; R417-M420 PolarHBondContact O-N 3.01Å; M420-M423 PolarHBondContact O-N 2.62Å; M420-L424 HydrophobicContact CG-CD1 3.65Å; M420-L424 HydrophobicContact CG-CG 4.17Å; M420-L424 WeakPolarHBondContact O-CG 3.37Å; M420-L424 PolarHBondContact O-N 2.86Å; M420-L424 VanDerWaalsContact O-N 3.08Å; M420-L424 HydrophobicContact SD-CD1 4.05Å |
| 421 | Y | 86.4 | Confident | 86.9 | Confident | 16 Ų | 16 | 65.4 Ų | 65.4 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.8 | -43 | -171.2 | -74.1 | -60.9 | 0 | 0 | 0 | 113.4 | V398 R417 M423 L424 V425 G443 A445 | V398-Y421 HydrophobicContact CG2-CE2 4.1Å; V398-Y421 VanDerWaalsContact CG2-OH 3.23Å; V398-Y421 WeakPolarHBondContact CG2-OH 3.25Å; R417-Y421 HydrophobicContact CB-CD2 3.8Å; R417-Y421 HydrophobicContact CB-CE2 3.81Å; R417-Y421 HydrophobicContact CG-CD2 4.28Å; R417-Y421 HydrophobicContact CG-CE2 3.77Å; R417-Y421 WeakPolarHBondContact O-CD2 3.5Å; R417-Y421 PolarHBondContact O-N 2.8Å; Y421-M423 VanDerWaalsContact C-N 3.29Å; Y421-M423 PolarHBondContact O-N 2.54Å; Y421-L424 PolarHBondContact O-N 2.75Å; Y421-V425 WeakPolarHBondContact O-CB 3.34Å; Y421-V425 VanDerWaalsContact O-CG2 3.26Å; Y421-V425 WeakPolarHBondContact O-CG2 3.47Å; Y421-V425 PolarHBondContact O-N 3.1Å; Y421-G443 PolarHBondContact OH-O 3.21Å; Y421-A445 HydrophobicContact CD1-CB 3.36Å; Y421-A445 HydrophobicContact CE1-CB 3.78Å; Y421-A445 HydrophobicContact CG-CB 3.86Å |
| 422 | P | 87.6 | Confident | 87.7 | Confident | 20 Ų | 20 | 60 Ų | 60 | 13% | 0.13 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58 | -41.3 | 177.3 | -25.7 | 35.7 | 0 | 0 | 0 | 112.7 | E418 V425 Y426 C449 | E418-P422 VanDerWaalsContact O-CD 3.22Å; E418-P422 WeakPolarHBondContact O-CD 3.22Å; E418-P422 WeakPolarHBondContact O-CG 3.33Å; P422-V425 PolarHBondContact O-N 3.14Å; P422-Y426 VanDerWaalsContact O-CB 3.26Å; P422-Y426 WeakPolarHBondContact O-CB 3.36Å; P422-Y426 PolarHBondContact O-N 2.98Å; P422-C449 HydrophobicContact CG-CB 3.97Å |
| 423 | M | 89.1 | Confident | 88.2 | Confident | 133 Ų | 133 | 59.5 Ų | 59.5 | 66% | 0.655 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -65 | -43.2 | 176.8 | -68.2 | -153.9 | -63.3 | 0 | 0 | 112.5 | M420 Y421 Y426 Q427 | M420-M423 PolarHBondContact O-N 2.62Å; Y421-M423 VanDerWaalsContact C-N 3.29Å; Y421-M423 PolarHBondContact O-N 2.54Å; M423-Y426 PolarHBondContact O-N 3.5Å; M423-Q427 WeakPolarHBondContact O-CB 3.2Å; M423-Q427 PolarHBondContact O-N 3.01Å |
| 424 | L | 91.3 | Very high | 88.9 | Confident | 57 Ų | 57 | 59 Ų | 59 | 30% | 0.298 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.3 | -40 | 178.3 | -67.5 | 178.4 | 0 | 0 | 0 | 112.3 | L397 M420 Y421 Q427 A428 L440 | L397-L424 HydrophobicContact CD2-CD1 3.86Å; M420-L424 HydrophobicContact CG-CD1 3.65Å; M420-L424 HydrophobicContact CG-CG 4.17Å; M420-L424 WeakPolarHBondContact O-CG 3.37Å; M420-L424 PolarHBondContact O-N 2.86Å; M420-L424 VanDerWaalsContact O-N 3.08Å; M420-L424 HydrophobicContact SD-CD1 4.05Å; Y421-L424 PolarHBondContact O-N 2.75Å; L424-Q427 PolarHBondContact O-N 3.06Å; L424-A428 WeakPolarHBondContact O-CB 3.14Å; L424-A428 PolarHBondContact O-N 3.11Å; L424-L440 HydrophobicContact CB-CD1 3.81Å; L424-L440 HydrophobicContact CB-CD2 3.95Å; L424-L440 HydrophobicContact CD1-CD2 3.82Å |
| 425 | V | 92.3 | Very high | 89.7 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.4 | -47.1 | 175.3 | 167.8 | 0 | 0 | 0 | 0 | 110 | Y421 P422 Q427 A428 V429 L437 L440 A445 L447 | Y421-V425 WeakPolarHBondContact O-CB 3.34Å; Y421-V425 VanDerWaalsContact O-CG2 3.26Å; Y421-V425 WeakPolarHBondContact O-CG2 3.47Å; Y421-V425 PolarHBondContact O-N 3.1Å; P422-V425 PolarHBondContact O-N 3.14Å; V425-Q427 PolarHBondContact O-N 3.49Å; V425-A428 PolarHBondContact O-N 3.41Å; V425-V429 WeakPolarHBondContact O-CG2 3.48Å; V425-V429 PolarHBondContact O-N 3.28Å; V425-L437 HydrophobicContact CB-CD2 4.21Å; V425-L437 HydrophobicContact CG1-CD2 3.86Å; V425-L437 HydrophobicContact CG2-CD2 4.26Å; V425-L440 HydrophobicContact CG2-CD1 4.23Å; V425-A445 HydrophobicContact CG2-CB 4.31Å; V425-L447 HydrophobicContact CG1-CD2 4.35Å; V425-L447 HydrophobicContact CG2-CD2 3.98Å |
| 426 | Y | 91.6 | Very high | 90.2 | Very high | 99 Ų | 99 | 62.5 Ų | 62.5 | 39% | 0.388 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -55.8 | -51.5 | 174.7 | 166.1 | -103.8 | 0 | 0 | 0 | 111.6 | P422 M423 A428 V429 C430 Y460 | P422-Y426 VanDerWaalsContact O-CB 3.26Å; P422-Y426 WeakPolarHBondContact O-CB 3.36Å; P422-Y426 PolarHBondContact O-N 2.98Å; M423-Y426 PolarHBondContact O-N 3.5Å; Y426-A428 VanDerWaalsContact C-N 3.28Å; Y426-A428 PolarHBondContact O-N 3.22Å; Y426-V429 WeakPolarHBondContact O-CB 3.47Å; Y426-V429 PolarHBondContact O-N 2.91Å; Y426-C430 WeakPolarHBondContact CE2-SG 3.37Å; Y426-C430 PolarHBondContact O-N 3.26Å; Y426-Y460 AromaticContact CD2-CD1 3.81Å; Y426-Y460 HydrophobicContact CD2-CD1 3.81Å; Y426-Y460 AromaticContact CD2-CD2 3.67Å; Y426-Y460 HydrophobicContact CD2-CD2 3.67Å; Y426-Y460 AromaticContact CD2-CE1 3.79Å; Y426-Y460 HydrophobicContact CD2-CE1 3.79Å; Y426-Y460 AromaticContact CD2-CE2 3.65Å; Y426-Y460 HydrophobicContact CD2-CE2 3.65Å; Y426-Y460 AromaticContact CD2-CG 3.72Å; Y426-Y460 HydrophobicContact CD2-CG 3.72Å; Y426-Y460 AromaticContact CD2-CZ 3.68Å; Y426-Y460 AromaticContact CE2-CD1 3.46Å; Y426-Y460 HydrophobicContact CE2-CD1 3.46Å; Y426-Y460 VanDerWaalsContact CE2-CD1 3.46Å; Y426-Y460 HydrophobicContact CE2-CD2 4.21Å; Y426-Y460 AromaticContact CE2-CE1 3.44Å; Y426-Y460 HydrophobicContact CE2-CE1 3.44Å; Y426-Y460 VanDerWaalsContact CE2-CE1 3.44Å; Y426-Y460 HydrophobicContact CE2-CE2 4.21Å; Y426-Y460 AromaticContact CE2-CG 3.84Å; Y426-Y460 HydrophobicContact CE2-CG 3.84Å; Y426-Y460 AromaticContact CE2-CZ 3.82Å |
| 427 | Q | 92.4 | Very high | 90.5 | Very high | 92 Ų | 92 | 61.5 Ų | 61.5 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.8 | -39.8 | -179.7 | -175 | 64.1 | 8.8 | 0 | 0 | 112.1 | M423 L424 V425 V429 C430 Q431 | M423-Q427 WeakPolarHBondContact O-CB 3.2Å; M423-Q427 PolarHBondContact O-N 3.01Å; L424-Q427 PolarHBondContact O-N 3.06Å; V425-Q427 PolarHBondContact O-N 3.49Å; Q427-V429 VanDerWaalsContact C-N 3.34Å; Q427-C430 PolarHBondContact O-N 2.92Å; Q427-Q431 WeakPolarHBondContact O-CG 3.44Å; Q427-Q431 PolarHBondContact O-N 3.41Å |
| 428 | A | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | L424 V425 Y426 Q431 G432 N433 L436 L437 L440 | L424-A428 WeakPolarHBondContact O-CB 3.14Å; L424-A428 PolarHBondContact O-N 3.11Å; V425-A428 PolarHBondContact O-N 3.41Å; Y426-A428 VanDerWaalsContact C-N 3.28Å; Y426-A428 PolarHBondContact O-N 3.22Å; A428-Q431 PolarHBondContact O-N 3.14Å; A428-G432 PolarHBondContact O-N 2.71Å; A428-N433 PolarHBondContact O-N 3.04Å; A428-L436 HydrophobicContact CB-CB 4.13Å; A428-L436 HydrophobicContact CB-CD2 3.73Å; A428-L436 HydrophobicContact CB-CG 3.88Å; A428-L437 HydrophobicContact CB-CD2 3.59Å; A428-L437 HydrophobicContact CB-CG 3.78Å; A428-L440 HydrophobicContact CB-CD1 4.41Å |
| 429 | V | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.5 | -47.4 | 174.6 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | V425 Y426 Q427 Q431 G432 L437 A461 L464 M469 L473 | V425-V429 WeakPolarHBondContact O-CG2 3.48Å; V425-V429 PolarHBondContact O-N 3.28Å; Y426-V429 WeakPolarHBondContact O-CB 3.47Å; Y426-V429 PolarHBondContact O-N 2.91Å; Q427-V429 VanDerWaalsContact C-N 3.34Å; V429-Q431 PolarHBondContact O-N 3.05Å; V429-G432 PolarHBondContact O-N 2.95Å; V429-L437 HydrophobicContact CG2-CD1 4.09Å; V429-A461 HydrophobicContact CG1-CB 3.92Å; V429-L464 HydrophobicContact CG1-CD1 4.5Å; V429-M469 HydrophobicContact CG1-CG 4.21Å; V429-M469 HydrophobicContact CG2-CG 4.35Å; V429-M469 HydrophobicContact CG2-SD 4.24Å; V429-L473 HydrophobicContact CG2-CD1 4.38Å |
| 430 | C | 93 | Very high | 91.8 | Very high | 49 Ų | 49 | 57.2 Ų | 57.2 | 33% | 0.331 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.7 | -25.6 | 178.2 | -70.9 | 0 | 0 | 0 | 0 | 113.9 | Y426 Q427 | Y426-C430 WeakPolarHBondContact CE2-SG 3.37Å; Y426-C430 PolarHBondContact O-N 3.26Å; Q427-C430 PolarHBondContact O-N 2.92Å |
| 431 | Q | 93.5 | Very high | 91.7 | Very high | 112 Ų | 112 | 60 Ų | 60 | 52% | 0.523 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -0.4 | 176.8 | -68 | 179.7 | -3.7 | 0 | 0 | 113.7 | Q427 A428 V429 N433 | Q427-Q431 WeakPolarHBondContact O-CG 3.44Å; Q427-Q431 PolarHBondContact O-N 3.41Å; A428-Q431 PolarHBondContact O-N 3.14Å; V429-Q431 PolarHBondContact O-N 3.05Å; Q431-N433 HydrophobicContact CB-CB 4.16Å; Q431-N433 PolarHBondContact O-N 3.43Å |
| 432 | G | 93.7 | Very high | 91.6 | Very high | 31 Ų | 31 | 63.8 Ų | 63.8 | 32% | 0.32 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 18.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A428 V429 I434 | A428-G432 PolarHBondContact O-N 2.71Å; V429-G432 PolarHBondContact O-N 2.95Å; G432-I434 PolarHBondContact O-N 2.94Å; G432-I434 VanDerWaalsContact O-N 3.09Å |
| 433 | N | 95.4 | Very high | 91 | Very high | 57 Ų | 57 | 64.2 Ų | 64.2 | 31% | 0.305 | 33% | 0.331 | S | S | . | . | trans | -89.9 | 77.3 | -167.9 | -166.7 | -16.9 | 0 | 0 | 0 | 112.7 | A428 Q431 R435 L436 L437 | A428-N433 PolarHBondContact O-N 3.04Å; Q431-N433 HydrophobicContact CB-CB 4.16Å; Q431-N433 PolarHBondContact O-N 3.43Å; N433-R435 PolarHBondContact O-N 2.62Å; N433-R435 PolarHBondContact OD1-N 3.18Å; N433-L436 HydrophobicContact CB-CB 4.06Å; N433-L436 VanDerWaalsContact CG-CB 3.46Å; N433-L436 PolarHBondContact O-N 3.37Å; N433-L436 VanDerWaalsContact O-N 3.15Å; N433-L436 PolarHBondContact OD1-N 3.48Å; N433-L437 PolarHBondContact O-N 3.18Å | ||
| 434 | I | 95.2 | Very high | 90.5 | Very high | 35 Ų | 35 | 59.8 Ų | 59.8 | 18% | 0.179 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.5 | -32.8 | 177.4 | -62.9 | 173.4 | 0 | 0 | 0 | 111.9 | G432 L437 K438 E468 M469 F472 | G432-I434 PolarHBondContact O-N 2.94Å; G432-I434 VanDerWaalsContact O-N 3.09Å; I434-L437 PolarHBondContact O-N 3.46Å; I434-K438 HydrophobicContact CG2-CD 4.4Å; I434-K438 WeakPolarHBondContact O-CG 3.22Å; I434-K438 PolarHBondContact O-N 3.3Å; I434-E468 HydrophobicContact CD1-CB 4.17Å; I434-M469 HydrophobicContact CG1-CE 3.6Å; I434-M469 HydrophobicContact CG1-SD 3.94Å; I434-F472 HydrophobicContact CD1-CB 4.22Å; I434-F472 HydrophobicContact CG1-CB 4.47Å; I434-F472 HydrophobicContact CG2-CB 4.38Å; I434-F472 HydrophobicContact CG2-CD1 4Å; I434-F472 HydrophobicContact CG2-CD2 3.8Å; I434-F472 HydrophobicContact CG2-CE1 4.25Å; I434-F472 HydrophobicContact CG2-CE2 4.07Å; I434-F472 HydrophobicContact CG2-CG 3.76Å; I434-F472 HydrophobicContact CG2-CZ 4.29Å |
| 435 | R | 94.7 | Very high | 90.1 | Very high | 218 Ų | 218 | 57.3 Ų | 57.3 | 82% | 0.823 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64 | -42.3 | 178.2 | -66 | -178 | -177 | 171.3 | 1.7 | 111.4 | N433 K438 S439 | N433-R435 PolarHBondContact O-N 2.62Å; N433-R435 PolarHBondContact OD1-N 3.18Å; R435-K438 PolarHBondContact O-N 3.49Å; R435-S439 PolarHBondContact O-N 3.17Å; R435-S439 VanDerWaalsContact O-N 3.08Å |
| 436 | L | 92.5 | Very high | 89.7 | Confident | 60 Ų | 60 | 59.6 Ų | 59.6 | 31% | 0.314 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 175.5 | 179.7 | 57.7 | 0 | 0 | 0 | 111.2 | A428 N433 K438 S439 L440 | A428-L436 HydrophobicContact CB-CB 4.13Å; A428-L436 HydrophobicContact CB-CD2 3.73Å; A428-L436 HydrophobicContact CB-CG 3.88Å; N433-L436 HydrophobicContact CB-CB 4.06Å; N433-L436 VanDerWaalsContact CG-CB 3.46Å; N433-L436 PolarHBondContact O-N 3.37Å; N433-L436 VanDerWaalsContact O-N 3.15Å; N433-L436 PolarHBondContact OD1-N 3.48Å; L436-K438 VanDerWaalsContact C-N 3.33Å; L436-K438 PolarHBondContact O-N 3.4Å; L436-S439 WeakPolarHBondContact O-CB 3.19Å; L436-S439 PolarHBondContact O-N 3.21Å; L436-S439 VanDerWaalsContact O-N 3.13Å; L436-L440 HydrophobicContact CD1-CD1 4.39Å; L436-L440 HydrophobicContact CD1-CG 4.13Å; L436-L440 HydrophobicContact CG-CD1 4.09Å; L436-L440 HydrophobicContact CG-CG 4.31Å; L436-L440 WeakPolarHBondContact O-CG 3.25Å; L436-L440 PolarHBondContact O-N 3.18Å |
| 437 | L | 92.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 175.3 | -72.3 | -178.7 | 0 | 0 | 0 | 112.9 | V425 A428 V429 N433 I434 S439 L440 K441 L447 M469 F472 L473 | V425-L437 HydrophobicContact CB-CD2 4.21Å; V425-L437 HydrophobicContact CG1-CD2 3.86Å; V425-L437 HydrophobicContact CG2-CD2 4.26Å; A428-L437 HydrophobicContact CB-CD2 3.59Å; A428-L437 HydrophobicContact CB-CG 3.78Å; V429-L437 HydrophobicContact CG2-CD1 4.09Å; N433-L437 PolarHBondContact O-N 3.18Å; I434-L437 PolarHBondContact O-N 3.46Å; L437-S439 VanDerWaalsContact C-N 3.33Å; L437-S439 PolarHBondContact O-N 2.94Å; L437-L440 HydrophobicContact CD2-CD1 4.5Å; L437-L440 PolarHBondContact O-N 3.15Å; L437-K441 WeakPolarHBondContact O-CB 3.44Å; L437-K441 PolarHBondContact O-N 3.19Å; L437-L447 HydrophobicContact CD2-CD2 4.1Å; L437-M469 HydrophobicContact CD1-CE 4.02Å; L437-M469 HydrophobicContact CD1-SD 3.28Å; L437-M469 WeakPolarHBondContact CD1-SD 3.25Å; L437-F472 HydrophobicContact CB-CE1 3.77Å; L437-F472 HydrophobicContact CB-CZ 4.47Å; L437-F472 HydrophobicContact CD1-CD1 4.05Å; L437-F472 HydrophobicContact CD1-CE1 3.92Å; L437-L473 HydrophobicContact CD1-CD2 4.09Å |
| 438 | K | 91.9 | Very high | 89.3 | Confident | 120 Ų | 120 | 52.3 Ų | 52.3 | 52% | 0.522 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 174.5 | -72.3 | 177 | 178.5 | -179.9 | 0 | 111.7 | I434 R435 L436 K441 S442 F472 | I434-K438 HydrophobicContact CG2-CD 4.4Å; I434-K438 WeakPolarHBondContact O-CG 3.22Å; I434-K438 PolarHBondContact O-N 3.3Å; R435-K438 PolarHBondContact O-N 3.49Å; L436-K438 VanDerWaalsContact C-N 3.33Å; L436-K438 PolarHBondContact O-N 3.4Å; K438-K441 PolarHBondContact O-N 3.14Å; K438-S442 PolarHBondContact O-N 2.66Å; K438-S442 PolarHBondContact O-OG 3.16Å; K438-F472 HydrophobicContact CD-CE2 4.36Å; K438-F472 HydrophobicContact CG-CE2 3.87Å; K438-F472 HydrophobicContact CG-CZ 3.69Å |
| 439 | S | 89.5 | Confident | 88.9 | Confident | 70 Ų | 70 | 53.7 Ų | 53.7 | 49% | 0.49 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.9 | -46.8 | 177 | -176.7 | 0 | 0 | 0 | 0 | 112.3 | R435 L436 L437 K441 S442 G443 | R435-S439 PolarHBondContact O-N 3.17Å; R435-S439 VanDerWaalsContact O-N 3.08Å; L436-S439 WeakPolarHBondContact O-CB 3.19Å; L436-S439 PolarHBondContact O-N 3.21Å; L436-S439 VanDerWaalsContact O-N 3.13Å; L437-S439 VanDerWaalsContact C-N 3.33Å; L437-S439 PolarHBondContact O-N 2.94Å; S439-K441 VanDerWaalsContact C-N 3.33Å; S439-K441 PolarHBondContact O-N 3.11Å; S439-S442 WeakPolarHBondContact CA-OG 3.47Å; S439-S442 PolarHBondContact O-N 3Å; S439-S442 PolarHBondContact O-OG 3Å; S439-G443 PolarHBondContact O-N 2.82Å |
| 440 | L | 88.6 | Confident | 88.6 | Confident | 15 Ų | 15 | 56.7 Ų | 56.7 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.6 | -46.2 | 176.1 | -71.1 | 173.1 | 0 | 0 | 0 | 111 | L424 V425 A428 L436 L437 S442 G443 G444 A445 | L424-L440 HydrophobicContact CB-CD1 3.81Å; L424-L440 HydrophobicContact CB-CD2 3.95Å; L424-L440 HydrophobicContact CD1-CD2 3.82Å; V425-L440 HydrophobicContact CG2-CD1 4.23Å; A428-L440 HydrophobicContact CB-CD1 4.41Å; L436-L440 HydrophobicContact CD1-CD1 4.39Å; L436-L440 HydrophobicContact CD1-CG 4.13Å; L436-L440 HydrophobicContact CG-CD1 4.09Å; L436-L440 HydrophobicContact CG-CG 4.31Å; L436-L440 WeakPolarHBondContact O-CG 3.25Å; L436-L440 PolarHBondContact O-N 3.18Å; L437-L440 HydrophobicContact CD2-CD1 4.5Å; L437-L440 PolarHBondContact O-N 3.15Å; L440-S442 PolarHBondContact O-N 3.5Å; L440-G443 CarbonylContact O-C 3.41Å; L440-G443 WeakPolarHBondContact O-CA 3.43Å; L440-G443 PolarHBondContact O-N 2.8Å; L440-G444 PolarHBondContact O-N 3.25Å; L440-A445 HydrophobicContact CB-CB 3.78Å; L440-A445 WeakPolarHBondContact O-CB 3.46Å; L440-A445 PolarHBondContact O-N 3.22Å |
| 441 | K | 86 | Confident | 88.4 | Confident | 74 Ų | 74 | 55.9 Ų | 55.9 | 32% | 0.322 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 176.5 | -178.8 | -174.8 | 160.7 | -167.8 | 0 | 111.8 | L437 K438 S439 G443 G444 L447 E476 | L437-K441 WeakPolarHBondContact O-CB 3.44Å; L437-K441 PolarHBondContact O-N 3.19Å; K438-K441 PolarHBondContact O-N 3.14Å; S439-K441 VanDerWaalsContact C-N 3.33Å; S439-K441 PolarHBondContact O-N 3.11Å; K441-G443 PolarHBondContact O-N 3.09Å; K441-G444 PolarHBondContact O-N 3.35Å; K441-L447 HydrophobicContact CB-CD1 4.41Å; K441-L447 HydrophobicContact CB-CG 4.4Å; K441-L447 HydrophobicContact CD-CD1 4.05Å; K441-E476 WeakPolarHBondContact CE-OE2 3.31Å; K441-E476 IonicContact NZ-OE1 2.86Å; K441-E476 PolarHBondContact NZ-OE1 2.99Å; K441-E476 IonicContact NZ-OE2 3.51Å; K441-E476 PolarHBondContact NZ-OE2 3.4Å |
| 442 | S | 83.2 | Confident | 88 | Confident | 95 Ų | 95 | 60.1 Ų | 60.1 | 66% | 0.664 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.8 | -26.1 | 175 | 62.3 | 0 | 0 | 0 | 0 | 113 | K438 S439 L440 G444 | K438-S442 PolarHBondContact O-N 2.66Å; K438-S442 PolarHBondContact O-OG 3.16Å; S439-S442 WeakPolarHBondContact CA-OG 3.47Å; S439-S442 PolarHBondContact O-N 3Å; S439-S442 PolarHBondContact O-OG 3Å; L440-S442 PolarHBondContact O-N 3.5Å; S442-G444 VanDerWaalsContact C-N 3.31Å |
| 443 | G | 76.4 | Confident | 87.7 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 29% | 0.289 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 11.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y421 S439 L440 K441 | Y421-G443 PolarHBondContact OH-O 3.21Å; S439-G443 PolarHBondContact O-N 2.82Å; L440-G443 CarbonylContact O-C 3.41Å; L440-G443 WeakPolarHBondContact O-CA 3.43Å; L440-G443 PolarHBondContact O-N 2.8Å; K441-G443 PolarHBondContact O-N 3.09Å |
| 444 | G | 77.5 | Confident | 87.4 | Confident | 40 Ų | 40 | 61.7 Ų | 61.7 | 41% | 0.412 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.5 | 3.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L440 K441 S442 V446 | L440-G444 PolarHBondContact O-N 3.25Å; K441-G444 PolarHBondContact O-N 3.35Å; S442-G444 VanDerWaalsContact C-N 3.31Å; G444-V446 PolarHBondContact O-N 2.79Å |
| 445 | A | 83.4 | Confident | 87.3 | Confident | 6 Ų | 6 | 62 Ų | 62 | 5% | 0.05 | 32% | 0.32 | C | S | . | . | trans | -67 | 129.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y421 V425 L440 | Y421-A445 HydrophobicContact CD1-CB 3.36Å; Y421-A445 HydrophobicContact CE1-CB 3.78Å; Y421-A445 HydrophobicContact CG-CB 3.86Å; V425-A445 HydrophobicContact CG2-CB 4.31Å; L440-A445 HydrophobicContact CB-CB 3.78Å; L440-A445 WeakPolarHBondContact O-CB 3.46Å; L440-A445 PolarHBondContact O-N 3.22Å | ||
| 446 | V | 83.7 | Confident | 87.3 | Confident | 51 Ų | 51 | 51.7 Ų | 51.7 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | trans | -88.5 | 108.9 | 172.9 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | G444 T448 C449 | G444-V446 PolarHBondContact O-N 2.79Å; V446-T448 WeakPolarHBondContact CG1-OG1 3.47Å; V446-T448 PolarHBondContact O-N 3.1Å; V446-T448 VanDerWaalsContact O-N 3.14Å; V446-C449 WeakPolarHBondContact O-CB 3.49Å; V446-C449 PolarHBondContact O-N 2.92Å; V446-C449 VanDerWaalsContact O-N 3.1Å; V446-C449 PolarHBondContact O-SG 3.1Å | ||
| 447 | L | 88.8 | Confident | 87.4 | Confident | 11 Ų | 11 | 49 Ų | 49 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -13.3 | -176.5 | -60.9 | -176.3 | 0 | 0 | 0 | 114.1 | V425 L437 K441 C449 S457 F472 E476 V478 | V425-L447 HydrophobicContact CG1-CD2 4.35Å; V425-L447 HydrophobicContact CG2-CD2 3.98Å; L437-L447 HydrophobicContact CD2-CD2 4.1Å; K441-L447 HydrophobicContact CB-CD1 4.41Å; K441-L447 HydrophobicContact CB-CG 4.4Å; K441-L447 HydrophobicContact CD-CD1 4.05Å; L447-C449 VanDerWaalsContact C-N 3.32Å; L447-S457 PolarHBondContact O-OG 2.96Å; L447-F472 HydrophobicContact CD1-CE1 4.15Å; L447-F472 HydrophobicContact CD1-CZ 4.44Å; L447-E476 HydrophobicContact CD1-CB 3.95Å; L447-E476 HydrophobicContact CD1-CG 3.82Å; L447-V478 HydrophobicContact CB-CG2 4.2Å |
| 448 | T | 86.8 | Confident | 87.6 | Confident | 26 Ų | 26 | 49 Ų | 49 | 16% | 0.16 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 5.8 | 175.8 | 69.7 | 0 | 0 | 0 | 0 | 113.2 | V446 V478 | V446-T448 WeakPolarHBondContact CG1-OG1 3.47Å; V446-T448 PolarHBondContact O-N 3.1Å; V446-T448 VanDerWaalsContact O-N 3.14Å; T448-V478 HydrophobicContact CG2-CG2 4.28Å |
| 449 | C | 86.2 | Confident | 87.9 | Confident | 30 Ų | 30 | 43.3 Ų | 43.3 | 20% | 0.203 | 24% | 0.243 | C | C | . | . | trans | -61 | 157.7 | 174.7 | 62.7 | 0 | 0 | 0 | 0 | 111.4 | P422 V446 L447 | P422-C449 HydrophobicContact CG-CB 3.97Å; V446-C449 WeakPolarHBondContact O-CB 3.49Å; V446-C449 PolarHBondContact O-N 2.92Å; V446-C449 VanDerWaalsContact O-N 3.1Å; V446-C449 PolarHBondContact O-SG 3.1Å; L447-C449 VanDerWaalsContact C-N 3.32Å | ||
| 450 | V | 88.5 | Confident | 88.2 | Confident | 62 Ų | 62 | 41.7 Ų | 41.7 | 38% | 0.376 | 23% | 0.226 | S | C | . | . | B | Isolated β-bridge | trans | -119.8 | 150.9 | 176.6 | -63.4 | 0 | 0 | 0 | 0 | 110.4 | R455 T456 T482 | V450-R455 VanDerWaalsContact CA-O 3.25Å; V450-R455 WeakPolarHBondContact CA-O 3.47Å; V450-T456 HydrophobicContact CG1-CG2 3.73Å; V450-T482 HydrophobicContact CG1-CG2 4.32Å |
| 451 | D | 88.3 | Confident | 88.6 | Confident | 33 Ų | 33 | 41 Ų | 41 | 18% | 0.176 | 22% | 0.223 | C | C | . | . | trans | -81.3 | -172.7 | 172.2 | 83.3 | -27 | 0 | 0 | 0 | 112.1 | M453 R454 R455 Y460 | D451-M453 VanDerWaalsContact CG-N 3.33Å; D451-M453 PolarHBondContact O-N 3.26Å; D451-M453 VanDerWaalsContact OD1-C 3.29Å; D451-M453 VanDerWaalsContact OD1-CA 3.32Å; D451-M453 WeakPolarHBondContact OD1-CA 3.36Å; D451-M453 WeakPolarHBondContact OD1-CB 3.45Å; D451-M453 PolarHBondContact OD1-N 2.84Å; D451-M453 PolarHBondContact OD2-N 3.08Å; D451-R454 WeakPolarHBondContact O-CA 3.17Å; D451-R454 PolarHBondContact O-N 3.12Å; D451-R454 PolarHBondContact OD1-N 2.99Å; D451-R455 PolarHBondContact N-O 2.74Å; D451-R455 WeakPolarHBondContact OD1-CA 3.25Å; D451-R455 WeakPolarHBondContact OD1-CB 3.47Å; D451-R455 PolarHBondContact OD1-N 3.4Å; D451-Y460 VanDerWaalsContact CG-OH 3.25Å; D451-Y460 PolarHBondContact OD2-OH 3.17Å | ||
| 452 | Y | 85.1 | Confident | 89.1 | Confident | 200 Ų | 200 | 37.4 Ų | 37.4 | 78% | 0.784 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -22.3 | 176.9 | 68.6 | -85.8 | 0 | 0 | 0 | 113.5 | R454 N485 | Y452-R454 VanDerWaalsContact C-N 3.29Å; Y452-N485 PolarHBondContact O-ND2 2.56Å; Y452-N485 VanDerWaalsContact O-ND2 3.14Å |
| 453 | M | 88 | Confident | 89.8 | Confident | 65 Ų | 65 | 34.6 Ų | 34.6 | 32% | 0.32 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 2.8 | 172.3 | -57.1 | -165.3 | 75.8 | 0 | 0 | 113 | D451 R455 D484 N485 | D451-M453 VanDerWaalsContact CG-N 3.33Å; D451-M453 PolarHBondContact O-N 3.26Å; D451-M453 VanDerWaalsContact OD1-C 3.29Å; D451-M453 VanDerWaalsContact OD1-CA 3.32Å; D451-M453 WeakPolarHBondContact OD1-CA 3.36Å; D451-M453 WeakPolarHBondContact OD1-CB 3.45Å; D451-M453 PolarHBondContact OD1-N 2.84Å; D451-M453 PolarHBondContact OD2-N 3.08Å; M453-R455 HydrophobicContact CB-CG 4.14Å; M453-R455 PolarHBondContact O-N 3.4Å; M453-D484 WeakPolarHBondContact O-CB 3.42Å; M453-N485 WeakPolarHBondContact O-CB 3.42Å; M453-N485 PolarHBondContact O-N 2.86Å |
| 454 | R | 88.9 | Confident | 90.7 | Very high | 56 Ų | 56 | 37.4 Ų | 37.4 | 21% | 0.211 | 20% | 0.198 | C | C | . | . | trans | 63.5 | 19.7 | -171.4 | -62.2 | -173.4 | 64.5 | 149.2 | -1.2 | 114.5 | N73 N170 D451 Y452 N485 | N73-R454 WeakPolarHBondContact ND2-CD 3.25Å; N170-R454 PolarHBondContact O-NH2 2.84Å; D451-R454 WeakPolarHBondContact O-CA 3.17Å; D451-R454 PolarHBondContact O-N 3.12Å; D451-R454 PolarHBondContact OD1-N 2.99Å; Y452-R454 VanDerWaalsContact C-N 3.29Å; R454-N485 WeakPolarHBondContact CD-OD1 3.23Å; R454-N485 WeakPolarHBondContact CG-OD1 3.26Å | ||
| 455 | R | 93 | Very high | 91.6 | Very high | 41 Ų | 41 | 36.7 Ų | 36.7 | 16% | 0.155 | 19% | 0.19 | C | C | . | . | trans | -80.3 | 137.4 | 174.6 | -69.6 | -176.1 | 165.7 | -136 | -14.5 | 110.5 | V450 D451 M453 H459 Y460 D484 E493 | V450-R455 VanDerWaalsContact CA-O 3.25Å; V450-R455 WeakPolarHBondContact CA-O 3.47Å; D451-R455 PolarHBondContact N-O 2.74Å; D451-R455 WeakPolarHBondContact OD1-CA 3.25Å; D451-R455 WeakPolarHBondContact OD1-CB 3.47Å; D451-R455 PolarHBondContact OD1-N 3.4Å; M453-R455 HydrophobicContact CB-CG 4.14Å; M453-R455 PolarHBondContact O-N 3.4Å; R455-H459 HydrophobicContact CB-CB 4.14Å; R455-H459 HydrophobicContact CG-CB 4.36Å; R455-Y460 HydrophobicContact CB-CE2 3.78Å; R455-D484 HydrophobicContact CG-CB 3.57Å; R455-D484 IonicContact CZ-OD2 3.23Å; R455-D484 IonicContact NE-OD2 2.78Å; R455-D484 PolarHBondContact NE-OD2 3.07Å; R455-D484 IonicContact NH2-OD2 2.67Å; R455-D484 PolarHBondContact NH2-OD2 2.91Å; R455-E493 IonicContact CZ-OE1 3.88Å; R455-E493 IonicContact CZ-OE2 3.32Å; R455-E493 IonicContact NH1-OE2 3.12Å; R455-E493 PolarHBondContact NH1-OE2 3.23Å; R455-E493 IonicContact NH2-OE1 2.8Å; R455-E493 PolarHBondContact NH2-OE1 3.2Å; R455-E493 IonicContact NH2-OE2 2.85Å; R455-E493 PolarHBondContact NH2-OE2 3.38Å; R455-E493 VanDerWaalsContact NH2-OE2 3.09Å | ||
| 456 | T | 93.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -90.9 | 164.9 | 172 | 64.3 | 0 | 0 | 0 | 0 | 110.8 | V450 L458 H459 Y460 T482 | V450-T456 HydrophobicContact CG1-CG2 3.73Å; T456-L458 PolarHBondContact O-N 3.01Å; T456-L458 VanDerWaalsContact O-N 3.12Å; T456-L458 PolarHBondContact OG1-N 3Å; T456-H459 PolarHBondContact N-ND1 3.38Å; T456-H459 WeakPolarHBondContact O-CB 3.28Å; T456-H459 PolarHBondContact O-N 3.08Å; T456-H459 PolarHBondContact OG1-ND1 3.02Å; T456-Y460 VanDerWaalsContact O-CD2 3.25Å; T456-Y460 WeakPolarHBondContact O-CD2 3.36Å; T456-T482 HydrophobicContact CG2-CG2 3.73Å |
| 457 | S | 95.5 | Very high | 92.9 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 4% | 0.035 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -47 | -37 | 167.4 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | L447 Y460 A461 | L447-S457 PolarHBondContact O-OG 2.96Å; S457-Y460 PolarHBondContact O-N 3.39Å; S457-A461 PolarHBondContact O-N 3.43Å |
| 458 | L | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.1 | -30.7 | 179.8 | -169 | 63.5 | 0 | 0 | 0 | 113.1 | T456 A462 V470 L473 L474 V478 V480 P490 L506 | T456-L458 PolarHBondContact O-N 3.01Å; T456-L458 VanDerWaalsContact O-N 3.12Å; T456-L458 PolarHBondContact OG1-N 3Å; L458-A462 WeakPolarHBondContact O-CB 3.27Å; L458-A462 PolarHBondContact O-N 3.48Å; L458-V470 HydrophobicContact CD1-CB 4.34Å; L458-V470 HydrophobicContact CD1-CG1 3.98Å; L458-V470 HydrophobicContact CD1-CG2 4.27Å; L458-L473 HydrophobicContact CB-CD1 4.42Å; L458-L473 HydrophobicContact CD1-CB 4.09Å; L458-L473 HydrophobicContact CD1-CD1 4.3Å; L458-L474 HydrophobicContact CD1-CD2 4.39Å; L458-L474 HydrophobicContact CD1-CG 4.34Å; L458-L474 HydrophobicContact CD2-CD2 3.81Å; L458-V478 HydrophobicContact CB-CG1 3.7Å; L458-V478 HydrophobicContact CD2-CG1 4.37Å; L458-V480 HydrophobicContact CD2-CG1 4.03Å; L458-P490 HydrophobicContact CB-CB 4.4Å; L458-P490 HydrophobicContact CB-CG 4.15Å; L458-P490 HydrophobicContact CD2-CB 4.06Å; L458-P490 HydrophobicContact CD2-CG 3.96Å; L458-P490 HydrophobicContact CG-CB 3.81Å; L458-P490 HydrophobicContact CG-CG 3.97Å; L458-L506 HydrophobicContact CD1-CD2 4.47Å; L458-L506 HydrophobicContact CD2-CD2 4.12Å; L458-L506 HydrophobicContact CG-CD2 4.48Å |
| 459 | H | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 173.1 | -71.9 | 77.1 | 0 | 0 | 0 | 110.7 | R455 T456 A462 A463 T482 S488 E493 | R455-H459 HydrophobicContact CB-CB 4.14Å; R455-H459 HydrophobicContact CG-CB 4.36Å; T456-H459 PolarHBondContact N-ND1 3.38Å; T456-H459 WeakPolarHBondContact O-CB 3.28Å; T456-H459 PolarHBondContact O-N 3.08Å; T456-H459 PolarHBondContact OG1-ND1 3.02Å; H459-A462 PolarHBondContact O-N 3.13Å; H459-A463 WeakPolarHBondContact O-CB 3.48Å; H459-A463 PolarHBondContact O-N 3.39Å; H459-T482 PolarHBondContact CE1-O 3.39Å; H459-T482 PolarHBondContact NE2-O 2.98Å; H459-S488 PolarHBondContact NE2-O 2.98Å; H459-S488 VanDerWaalsContact NE2-O 3.1Å; H459-E493 HydrophobicContact CB-CG 4.39Å |
| 460 | Y | 96 | Very high | 94.3 | Very high | 35 Ų | 35 | 44.7 Ų | 44.7 | 14% | 0.137 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.2 | -44.7 | -179.3 | -61.3 | -72 | 0 | 0 | 0 | 112.1 | Y426 D451 R455 T456 S457 A462 A463 L464 | Y426-Y460 AromaticContact CD2-CD1 3.81Å; Y426-Y460 HydrophobicContact CD2-CD1 3.81Å; Y426-Y460 AromaticContact CD2-CD2 3.67Å; Y426-Y460 HydrophobicContact CD2-CD2 3.67Å; Y426-Y460 AromaticContact CD2-CE1 3.79Å; Y426-Y460 HydrophobicContact CD2-CE1 3.79Å; Y426-Y460 AromaticContact CD2-CE2 3.65Å; Y426-Y460 HydrophobicContact CD2-CE2 3.65Å; Y426-Y460 AromaticContact CD2-CG 3.72Å; Y426-Y460 HydrophobicContact CD2-CG 3.72Å; Y426-Y460 AromaticContact CD2-CZ 3.68Å; Y426-Y460 AromaticContact CE2-CD1 3.46Å; Y426-Y460 HydrophobicContact CE2-CD1 3.46Å; Y426-Y460 VanDerWaalsContact CE2-CD1 3.46Å; Y426-Y460 HydrophobicContact CE2-CD2 4.21Å; Y426-Y460 AromaticContact CE2-CE1 3.44Å; Y426-Y460 HydrophobicContact CE2-CE1 3.44Å; Y426-Y460 VanDerWaalsContact CE2-CE1 3.44Å; Y426-Y460 HydrophobicContact CE2-CE2 4.21Å; Y426-Y460 AromaticContact CE2-CG 3.84Å; Y426-Y460 HydrophobicContact CE2-CG 3.84Å; Y426-Y460 AromaticContact CE2-CZ 3.82Å; D451-Y460 VanDerWaalsContact CG-OH 3.25Å; D451-Y460 PolarHBondContact OD2-OH 3.17Å; R455-Y460 HydrophobicContact CB-CE2 3.78Å; T456-Y460 VanDerWaalsContact O-CD2 3.25Å; T456-Y460 WeakPolarHBondContact O-CD2 3.36Å; S457-Y460 PolarHBondContact O-N 3.39Å; Y460-A462 VanDerWaalsContact C-N 3.27Å; Y460-A462 PolarHBondContact O-N 2.92Å; Y460-A463 PolarHBondContact O-N 3.45Å; Y460-L464 WeakPolarHBondContact O-CB 3.4Å; Y460-L464 VanDerWaalsContact O-CG 3.24Å; Y460-L464 WeakPolarHBondContact O-CG 3.41Å; Y460-L464 PolarHBondContact O-N 3.48Å |
| 461 | A | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.4 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V429 S457 G465 E466 M469 V470 L473 | V429-A461 HydrophobicContact CG1-CB 3.92Å; S457-A461 PolarHBondContact O-N 3.43Å; A461-G465 PolarHBondContact O-N 3.46Å; A461-E466 PolarHBondContact O-N 2.84Å; A461-E466 VanDerWaalsContact O-N 3.15Å; A461-M469 HydrophobicContact CB-CB 4.17Å; A461-M469 HydrophobicContact CB-CG 3.73Å; A461-V470 HydrophobicContact CB-CG2 3.78Å; A461-L473 HydrophobicContact CB-CD1 3.8Å |
| 462 | A | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.6 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L458 H459 Y460 G465 P490 E493 A494 H499 I502 L506 | L458-A462 WeakPolarHBondContact O-CB 3.27Å; L458-A462 PolarHBondContact O-N 3.48Å; H459-A462 PolarHBondContact O-N 3.13Å; Y460-A462 VanDerWaalsContact C-N 3.27Å; Y460-A462 PolarHBondContact O-N 2.92Å; A462-G465 PolarHBondContact O-N 2.77Å; A462-P490 HydrophobicContact CB-CB 4.28Å; A462-P490 VanDerWaalsContact CB-O 3.26Å; A462-P490 WeakPolarHBondContact CB-O 3.16Å; A462-E493 HydrophobicContact CB-CB 4.34Å; A462-A494 HydrophobicContact CB-CB 4.18Å; A462-H499 PolarHBondContact O-CD2 2.88Å; A462-I502 HydrophobicContact CB-CG2 4.25Å; A462-L506 HydrophobicContact CB-CD1 4.47Å |
| 463 | A | 96.6 | Very high | 95.4 | Very high | 36 Ų | 36 | 35.2 Ų | 35.2 | 30% | 0.298 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.5 | -39.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H459 Y460 E493 H499 | H459-A463 WeakPolarHBondContact O-CB 3.48Å; H459-A463 PolarHBondContact O-N 3.39Å; Y460-A463 PolarHBondContact O-N 3.45Å; A463-E493 HydrophobicContact CB-CB 4.09Å; A463-H499 PolarHBondContact O-NE2 3Å; A463-H499 VanDerWaalsContact O-NE2 3.17Å |
| 464 | L | 96.2 | Very high | 95.7 | Very high | 87 Ų | 87 | 32.7 Ų | 32.7 | 46% | 0.455 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -77 | -17.7 | -177.9 | -68.4 | 170.8 | 0 | 0 | 0 | 113.9 | V429 Y460 E466 | V429-L464 HydrophobicContact CG1-CD1 4.5Å; Y460-L464 WeakPolarHBondContact O-CB 3.4Å; Y460-L464 VanDerWaalsContact O-CG 3.24Å; Y460-L464 WeakPolarHBondContact O-CG 3.41Å; Y460-L464 PolarHBondContact O-N 3.48Å; L464-E466 HydrophobicContact CB-CG 4.03Å |
| 465 | G | 96.7 | Very high | 95.9 | Very high | 25 Ų | 25 | 32.3 Ų | 32.3 | 26% | 0.258 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 15.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A461 A462 L467 H499 I502 | A461-G465 PolarHBondContact O-N 3.46Å; A462-G465 PolarHBondContact O-N 2.77Å; G465-L467 PolarHBondContact O-N 3.3Å; G465-H499 WeakPolarHBondContact CA-CE1 3.45Å; G465-H499 WeakPolarHBondContact CA-ND1 3.39Å; G465-H499 VanDerWaalsContact CA-NE2 3.34Å; G465-H499 WeakPolarHBondContact CA-NE2 3.28Å; G465-H499 PolarHBondContact N-NE2 2.9Å; G465-I502 VanDerWaalsContact C-CD1 3.41Å |
| 466 | E | 96.3 | Very high | 95.8 | Very high | 82 Ų | 82 | 32.3 Ų | 32.3 | 38% | 0.383 | 17% | 0.173 | S | C | . | . | trans | -82.7 | 82.6 | -173.3 | -70.3 | -66.2 | 160.1 | 0 | 0 | 111.8 | A461 L464 E468 M469 V470 | A461-E466 PolarHBondContact O-N 2.84Å; A461-E466 VanDerWaalsContact O-N 3.15Å; L464-E466 HydrophobicContact CB-CG 4.03Å; E466-E468 PolarHBondContact O-N 3.46Å; E466-M469 HydrophobicContact CB-CB 3.69Å; E466-M469 WeakPolarHBondContact O-CB 3.49Å; E466-M469 PolarHBondContact O-N 3.34Å; E466-M469 VanDerWaalsContact O-N 3.14Å; E466-V470 WeakPolarHBondContact O-CG2 3.43Å; E466-V470 PolarHBondContact O-N 2.84Å | ||
| 467 | L | 96.9 | Very high | 95.6 | Very high | 63 Ų | 63 | 32.6 Ų | 32.6 | 33% | 0.33 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -57.4 | -44.2 | -174 | -178.6 | 63.6 | 0 | 0 | 0 | 113.4 | G465 M469 V470 Q471 A501 I502 L505 | G465-L467 PolarHBondContact O-N 3.3Å; L467-M469 VanDerWaalsContact C-N 3.31Å; L467-M469 PolarHBondContact O-N 3.2Å; L467-V470 PolarHBondContact O-N 2.99Å; L467-Q471 WeakPolarHBondContact O-CG 3.44Å; L467-Q471 PolarHBondContact O-N 3.09Å; L467-A501 HydrophobicContact CD2-CB 4.43Å; L467-I502 HydrophobicContact CB-CG1 4.35Å; L467-I502 HydrophobicContact CD1-CG1 3.83Å; L467-L505 HydrophobicContact CD1-CD2 3.76Å |
| 468 | E | 96.8 | Very high | 95.5 | Very high | 145 Ų | 145 | 32.6 Ų | 32.6 | 68% | 0.678 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -64 | -38.5 | 178.7 | -66.1 | -172 | 179.6 | 0 | 0 | 111.8 | I434 E466 Q471 F472 | I434-E468 HydrophobicContact CD1-CB 4.17Å; E466-E468 PolarHBondContact O-N 3.46Å; E468-Q471 PolarHBondContact O-N 2.98Å; E468-F472 WeakPolarHBondContact O-CB 3.32Å; E468-F472 PolarHBondContact O-N 3.48Å |
| 469 | M | 96.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.8 | -44.8 | 176.2 | -173.1 | 61 | 70.5 | 0 | 0 | 111.2 | V429 I434 L437 A461 E466 L467 Q471 F472 L473 | V429-M469 HydrophobicContact CG1-CG 4.21Å; V429-M469 HydrophobicContact CG2-CG 4.35Å; V429-M469 HydrophobicContact CG2-SD 4.24Å; I434-M469 HydrophobicContact CG1-CE 3.6Å; I434-M469 HydrophobicContact CG1-SD 3.94Å; L437-M469 HydrophobicContact CD1-CE 4.02Å; L437-M469 HydrophobicContact CD1-SD 3.28Å; L437-M469 WeakPolarHBondContact CD1-SD 3.25Å; A461-M469 HydrophobicContact CB-CB 4.17Å; A461-M469 HydrophobicContact CB-CG 3.73Å; E466-M469 HydrophobicContact CB-CB 3.69Å; E466-M469 WeakPolarHBondContact O-CB 3.49Å; E466-M469 PolarHBondContact O-N 3.34Å; E466-M469 VanDerWaalsContact O-N 3.14Å; L467-M469 VanDerWaalsContact C-N 3.31Å; L467-M469 PolarHBondContact O-N 3.2Å; M469-Q471 VanDerWaalsContact C-N 3.34Å; M469-Q471 PolarHBondContact O-N 3.26Å; M469-F472 PolarHBondContact O-N 2.96Å; M469-F472 HydrophobicContact SD-CD1 4.45Å; M469-L473 HydrophobicContact CG-CD1 4.06Å; M469-L473 HydrophobicContact CG-CG 4.42Å; M469-L473 VanDerWaalsContact O-CG 3.3Å; M469-L473 WeakPolarHBondContact O-CG 3.4Å; M469-L473 PolarHBondContact O-N 3.42Å; M469-L473 HydrophobicContact SD-CG 4.41Å |
| 470 | V | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.6 | -47.8 | 174.5 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | L458 A461 E466 L467 F472 L473 L474 I502 L505 L506 | L458-V470 HydrophobicContact CD1-CB 4.34Å; L458-V470 HydrophobicContact CD1-CG1 3.98Å; L458-V470 HydrophobicContact CD1-CG2 4.27Å; A461-V470 HydrophobicContact CB-CG2 3.78Å; E466-V470 WeakPolarHBondContact O-CG2 3.43Å; E466-V470 PolarHBondContact O-N 2.84Å; L467-V470 PolarHBondContact O-N 2.99Å; V470-F472 VanDerWaalsContact C-N 3.32Å; V470-F472 PolarHBondContact O-N 3.08Å; V470-L473 PolarHBondContact O-N 2.7Å; V470-L474 HydrophobicContact CG1-CD1 3.83Å; V470-L474 HydrophobicContact CG1-CG 4.36Å; V470-L474 WeakPolarHBondContact O-CB 3.44Å; V470-L474 VanDerWaalsContact O-CG 3.23Å; V470-L474 WeakPolarHBondContact O-CG 3.42Å; V470-L474 PolarHBondContact O-N 3.29Å; V470-I502 HydrophobicContact CG1-CG2 4.27Å; V470-I502 HydrophobicContact CG2-CD1 4.02Å; V470-I502 HydrophobicContact CG2-CG1 4.31Å; V470-I502 HydrophobicContact CG2-CG2 4.09Å; V470-L505 HydrophobicContact CB-CD2 4.48Å; V470-L505 HydrophobicContact CG1-CD2 3.71Å; V470-L505 HydrophobicContact CG1-CG 4.49Å; V470-L506 HydrophobicContact CG1-CD2 4.34Å |
| 471 | Q | 96.3 | Very high | 95.2 | Very high | 78 Ų | 78 | 33.2 Ų | 33.2 | 36% | 0.364 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.4 | -43 | 178 | -72.1 | 179.1 | 11.1 | 0 | 0 | 112.4 | L467 E468 M469 S475 L505 | L467-Q471 WeakPolarHBondContact O-CG 3.44Å; L467-Q471 PolarHBondContact O-N 3.09Å; E468-Q471 PolarHBondContact O-N 2.98Å; M469-Q471 VanDerWaalsContact C-N 3.34Å; M469-Q471 PolarHBondContact O-N 3.26Å; Q471-S475 PolarHBondContact O-N 3.06Å; Q471-S475 VanDerWaalsContact O-N 3.09Å; Q471-L505 HydrophobicContact CG-CD2 3.51Å |
| 472 | F | 95.2 | Very high | 95 | Very high | 19 Ų | 19 | 34 Ų | 34 | 8% | 0.083 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.6 | -50.9 | 176.7 | 174.8 | -105.8 | 0 | 0 | 0 | 111.7 | I434 L437 K438 L447 E468 M469 V470 L474 S475 E476 | I434-F472 HydrophobicContact CD1-CB 4.22Å; I434-F472 HydrophobicContact CG1-CB 4.47Å; I434-F472 HydrophobicContact CG2-CB 4.38Å; I434-F472 HydrophobicContact CG2-CD1 4Å; I434-F472 HydrophobicContact CG2-CD2 3.8Å; I434-F472 HydrophobicContact CG2-CE1 4.25Å; I434-F472 HydrophobicContact CG2-CE2 4.07Å; I434-F472 HydrophobicContact CG2-CG 3.76Å; I434-F472 HydrophobicContact CG2-CZ 4.29Å; L437-F472 HydrophobicContact CB-CE1 3.77Å; L437-F472 HydrophobicContact CB-CZ 4.47Å; L437-F472 HydrophobicContact CD1-CD1 4.05Å; L437-F472 HydrophobicContact CD1-CE1 3.92Å; K438-F472 HydrophobicContact CD-CE2 4.36Å; K438-F472 HydrophobicContact CG-CE2 3.87Å; K438-F472 HydrophobicContact CG-CZ 3.69Å; L447-F472 HydrophobicContact CD1-CE1 4.15Å; L447-F472 HydrophobicContact CD1-CZ 4.44Å; E468-F472 WeakPolarHBondContact O-CB 3.32Å; E468-F472 PolarHBondContact O-N 3.48Å; M469-F472 PolarHBondContact O-N 2.96Å; M469-F472 HydrophobicContact SD-CD1 4.45Å; V470-F472 VanDerWaalsContact C-N 3.32Å; V470-F472 PolarHBondContact O-N 3.08Å; F472-L474 VanDerWaalsContact C-N 3.31Å; F472-L474 PolarHBondContact O-N 3.04Å; F472-S475 WeakPolarHBondContact O-CB 3.44Å; F472-S475 PolarHBondContact O-N 2.94Å; F472-S475 VanDerWaalsContact O-N 3.11Å; F472-S475 PolarHBondContact O-OG 3.47Å; F472-E476 HydrophobicContact CD2-CG 4.47Å; F472-E476 HydrophobicContact CE1-CG 4.16Å; F472-E476 HydrophobicContact CE2-CG 3.98Å; F472-E476 HydrophobicContact CZ-CG 3.82Å; F472-E476 WeakPolarHBondContact O-CG 3.37Å; F472-E476 PolarHBondContact O-N 3.48Å; F472-E476 VanDerWaalsContact O-N 3.14Å |
| 473 | L | 95 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.6 | -37.7 | -179.1 | -68.2 | 173.4 | 0 | 0 | 0 | 112.5 | V429 L437 L458 A461 M469 V470 E476 G477 V478 | V429-L473 HydrophobicContact CG2-CD1 4.38Å; L437-L473 HydrophobicContact CD1-CD2 4.09Å; L458-L473 HydrophobicContact CB-CD1 4.42Å; L458-L473 HydrophobicContact CD1-CB 4.09Å; L458-L473 HydrophobicContact CD1-CD1 4.3Å; A461-L473 HydrophobicContact CB-CD1 3.8Å; M469-L473 HydrophobicContact CG-CD1 4.06Å; M469-L473 HydrophobicContact CG-CG 4.42Å; M469-L473 VanDerWaalsContact O-CG 3.3Å; M469-L473 WeakPolarHBondContact O-CG 3.4Å; M469-L473 PolarHBondContact O-N 3.42Å; M469-L473 HydrophobicContact SD-CG 4.41Å; V470-L473 PolarHBondContact O-N 2.7Å; L473-E476 WeakPolarHBondContact O-CB 3.26Å; L473-E476 PolarHBondContact O-N 3.16Å; L473-G477 PolarHBondContact O-N 2.98Å; L473-V478 HydrophobicContact CB-CB 4.35Å; L473-V478 HydrophobicContact CB-CG2 4.15Å; L473-V478 HydrophobicContact CD2-CG2 4.25Å; L473-V478 WeakPolarHBondContact O-CB 3.26Å; L473-V478 WeakPolarHBondContact O-CG2 3.35Å; L473-V478 PolarHBondContact O-N 2.86Å; L473-V478 VanDerWaalsContact O-N 3.15Å |
| 474 | L | 94.5 | Very high | 94.6 | Very high | 12 Ų | 12 | 33.6 Ų | 33.6 | 6% | 0.063 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.4 | -41.3 | 174.1 | -68.8 | 172.1 | 0 | 0 | 0 | 112 | R229 L458 V470 F472 E476 G477 V480 L505 L506 | R229-L474 HydrophobicContact CG-CB 4.17Å; L458-L474 HydrophobicContact CD1-CD2 4.39Å; L458-L474 HydrophobicContact CD1-CG 4.34Å; L458-L474 HydrophobicContact CD2-CD2 3.81Å; V470-L474 HydrophobicContact CG1-CD1 3.83Å; V470-L474 HydrophobicContact CG1-CG 4.36Å; V470-L474 WeakPolarHBondContact O-CB 3.44Å; V470-L474 VanDerWaalsContact O-CG 3.23Å; V470-L474 WeakPolarHBondContact O-CG 3.42Å; V470-L474 PolarHBondContact O-N 3.29Å; F472-L474 VanDerWaalsContact C-N 3.31Å; F472-L474 PolarHBondContact O-N 3.04Å; L474-E476 PolarHBondContact O-N 2.91Å; L474-G477 PolarHBondContact O-N 3.36Å; L474-V480 HydrophobicContact CD2-CG1 3.44Å; L474-V480 VanDerWaalsContact CD2-CG1 3.44Å; L474-L505 HydrophobicContact CD1-CD1 4.42Å; L474-L505 HydrophobicContact CD1-CD2 4.1Å; L474-L505 HydrophobicContact CD1-CG 3.93Å; L474-L506 HydrophobicContact CD1-CD2 4.36Å; L474-L506 HydrophobicContact CD2-CD2 4.28Å |
| 475 | S | 92.1 | Very high | 94.3 | Very high | 48 Ų | 48 | 31.9 Ų | 31.9 | 34% | 0.336 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63.5 | -19.5 | 174.6 | 78.2 | 0 | 0 | 0 | 0 | 113.5 | R227 Q471 F472 | R227-S475 WeakPolarHBondContact CB-O 3.29Å; Q471-S475 PolarHBondContact O-N 3.06Å; Q471-S475 VanDerWaalsContact O-N 3.09Å; F472-S475 WeakPolarHBondContact O-CB 3.44Å; F472-S475 PolarHBondContact O-N 2.94Å; F472-S475 VanDerWaalsContact O-N 3.11Å; F472-S475 PolarHBondContact O-OG 3.47Å |
| 476 | E | 90.4 | Very high | 93.9 | Very high | 41 Ų | 41 | 34.2 Ų | 34.2 | 19% | 0.192 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 0.6 | 176.1 | -69.2 | -64.3 | 174.6 | 0 | 0 | 113.4 | K441 L447 F472 L473 L474 | K441-E476 WeakPolarHBondContact CE-OE2 3.31Å; K441-E476 IonicContact NZ-OE1 2.86Å; K441-E476 PolarHBondContact NZ-OE1 2.99Å; K441-E476 IonicContact NZ-OE2 3.51Å; K441-E476 PolarHBondContact NZ-OE2 3.4Å; L447-E476 HydrophobicContact CD1-CB 3.95Å; L447-E476 HydrophobicContact CD1-CG 3.82Å; F472-E476 HydrophobicContact CD2-CG 4.47Å; F472-E476 HydrophobicContact CE1-CG 4.16Å; F472-E476 HydrophobicContact CE2-CG 3.98Å; F472-E476 HydrophobicContact CZ-CG 3.82Å; F472-E476 WeakPolarHBondContact O-CG 3.37Å; F472-E476 PolarHBondContact O-N 3.48Å; F472-E476 VanDerWaalsContact O-N 3.14Å; L473-E476 WeakPolarHBondContact O-CB 3.26Å; L473-E476 PolarHBondContact O-N 3.16Å; L474-E476 PolarHBondContact O-N 2.91Å |
| 477 | G | 89.4 | Confident | 93.6 | Very high | 7 Ų | 7 | 32.3 Ų | 32.3 | 7% | 0.072 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 21.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R225 L473 L474 S479 | R225-G477 WeakPolarHBondContact CD-O 3.34Å; L473-G477 PolarHBondContact O-N 2.98Å; L474-G477 PolarHBondContact O-N 3.36Å; G477-S479 PolarHBondContact O-N 2.78Å |
| 478 | V | 93.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.03 | 16% | 0.158 | C | C | . | . | trans | -67.6 | 127.5 | 173.4 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | L447 T448 L458 L473 | L447-V478 HydrophobicContact CB-CG2 4.2Å; T448-V478 HydrophobicContact CG2-CG2 4.28Å; L458-V478 HydrophobicContact CB-CG1 3.7Å; L458-V478 HydrophobicContact CD2-CG1 4.37Å; L473-V478 HydrophobicContact CB-CB 4.35Å; L473-V478 HydrophobicContact CB-CG2 4.15Å; L473-V478 HydrophobicContact CD2-CG2 4.25Å; L473-V478 WeakPolarHBondContact O-CB 3.26Å; L473-V478 WeakPolarHBondContact O-CG2 3.35Å; L473-V478 PolarHBondContact O-N 2.86Å; L473-V478 VanDerWaalsContact O-N 3.15Å | ||
| 479 | S | 93.7 | Very high | 93.3 | Very high | 11 Ų | 11 | 22.6 Ų | 22.6 | 8% | 0.077 | 13% | 0.127 | C | C | . | . | trans | -66.6 | 136.5 | -173.8 | -179.8 | 0 | 0 | 0 | 0 | 112.7 | D172 G477 H481 | D172-S479 VanDerWaalsContact CG-CB 3.46Å; D172-S479 VanDerWaalsContact CG-OG 3.28Å; D172-S479 WeakPolarHBondContact OD1-CB 3.43Å; D172-S479 PolarHBondContact OD1-OG 3.32Å; D172-S479 WeakPolarHBondContact OD2-CB 3.12Å; D172-S479 PolarHBondContact OD2-OG 3Å; G477-S479 PolarHBondContact O-N 2.78Å; S479-H481 VanDerWaalsContact C-N 3.29Å; S479-H481 PolarHBondContact OG-N 3.14Å | ||
| 480 | V | 95.5 | Very high | 93.3 | Very high | 11 Ų | 11 | 22.5 Ų | 22.5 | 7% | 0.067 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -82.4 | -8.6 | 170.7 | -61.1 | 0 | 0 | 0 | 0 | 112.8 | L458 L474 L506 A511 | L458-V480 HydrophobicContact CD2-CG1 4.03Å; L474-V480 HydrophobicContact CD2-CG1 3.44Å; L474-V480 VanDerWaalsContact CD2-CG1 3.44Å; V480-L506 HydrophobicContact CG1-CD2 3.9Å; V480-A511 HydrophobicContact CB-CB 3.88Å; V480-A511 HydrophobicContact CG2-CB 4.05Å |
| 481 | H | 94.6 | Very high | 93.4 | Very high | 27 Ų | 27 | 22.5 Ų | 22.5 | 13% | 0.125 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -103.3 | -14.2 | -172.3 | -58.5 | -57.4 | 0 | 0 | 0 | 113.9 | G138 S479 K483 G510 H512 | G138-H481 PolarHBondContact O-CD2 3.41Å; S479-H481 VanDerWaalsContact C-N 3.29Å; S479-H481 PolarHBondContact OG-N 3.14Å; H481-K483 PolarHBondContact O-N 3.02Å; H481-G510 PolarHBondContact CE1-O 3.28Å; H481-H512 AromaticContact CE1-CE1 3.39Å; H481-H512 PolarHBondContact CE1-CE1 3.34Å; H481-H512 AromaticContact CE1-ND1 3.5Å; H481-H512 PolarHBondContact CE1-ND1 3.1Å; H481-H512 AromaticContact ND1-CE1 3.21Å; H481-H512 PolarHBondContact ND1-CE1 3.02Å; H481-H512 AromaticContact ND1-ND1 3.66Å |
| 482 | T | 93.4 | Very high | 93.4 | Very high | 15 Ų | 15 | 19.2 Ų | 19.2 | 9% | 0.092 | 11% | 0.111 | C | C | . | . | trans | -57.8 | 131.2 | 179.3 | -55.1 | 0 | 0 | 0 | 0 | 110.4 | D172 V450 T456 H459 | D172-T482 PolarHBondContact OD2-OG1 2.85Å; V450-T482 HydrophobicContact CG1-CG2 4.32Å; T456-T482 HydrophobicContact CG2-CG2 3.73Å; H459-T482 PolarHBondContact CE1-O 3.39Å; H459-T482 PolarHBondContact NE2-O 2.98Å | ||
| 483 | K | 93.3 | Very high | 93.4 | Very high | 28 Ų | 28 | 19 Ų | 19 | 12% | 0.122 | 11% | 0.111 | C | C | . | . | trans | -105.4 | 135.9 | 175.7 | -60.4 | 178.5 | -175.4 | 176 | 0 | 111 | D112 H481 S488 T489 | D112-K483 WeakPolarHBondContact OD1-CE 3.48Å; D112-K483 IonicContact OD1-NZ 3.09Å; D112-K483 PolarHBondContact OD1-NZ 3.08Å; D112-K483 IonicContact OD2-NZ 3.94Å; D112-K483 PolarHBondContact OD2-NZ 3.25Å; H481-K483 PolarHBondContact O-N 3.02Å; K483-S488 CarbonylContact C-O 3.51Å; K483-S488 VanDerWaalsContact CA-O 3.28Å; K483-S488 WeakPolarHBondContact CA-O 3.36Å; K483-T489 HydrophobicContact CG-CG2 3.86Å | ||
| 484 | D | 92.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -75.2 | -177.8 | 172.2 | 79 | -1 | 0 | 0 | 0 | 112.4 | R74 M453 R455 S486 N487 S488 | R74-D484 PolarHBondContact NH2-O 2.95Å; M453-D484 WeakPolarHBondContact O-CB 3.42Å; R455-D484 HydrophobicContact CG-CB 3.57Å; R455-D484 IonicContact CZ-OD2 3.23Å; R455-D484 IonicContact NE-OD2 2.78Å; R455-D484 PolarHBondContact NE-OD2 3.07Å; R455-D484 IonicContact NH2-OD2 2.67Å; R455-D484 PolarHBondContact NH2-OD2 2.91Å; D484-S486 PolarHBondContact O-N 3.4Å; D484-S486 VanDerWaalsContact O-N 3.1Å; D484-S486 VanDerWaalsContact OD1-C 3.31Å; D484-S486 VanDerWaalsContact OD1-CA 3.27Å; D484-S486 WeakPolarHBondContact OD1-CA 3.28Å; D484-S486 WeakPolarHBondContact OD1-CB 3.44Å; D484-S486 PolarHBondContact OD1-N 3.46Å; D484-N487 PolarHBondContact O-N 3.04Å; D484-N487 PolarHBondContact OD1-N 2.92Å; D484-S488 VanDerWaalsContact CG-CB 3.5Å; D484-S488 PolarHBondContact N-O 2.96Å; D484-S488 WeakPolarHBondContact OD1-CA 3.5Å; D484-S488 VanDerWaalsContact OD1-CB 3.25Å; D484-S488 WeakPolarHBondContact OD1-CB 3.16Å; D484-S488 PolarHBondContact OD1-N 3.44Å; D484-S488 WeakPolarHBondContact OD2-CB 3.33Å | ||
| 485 | N | 90.2 | Very high | 93.7 | Very high | 51 Ų | 51 | 18.5 Ų | 18.5 | 27% | 0.273 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 1.6 | 176.7 | -74.3 | -17.8 | 0 | 0 | 0 | 114.2 | L8 N73 Y452 M453 R454 | L8-N485 VanDerWaalsContact CD2-O 3.25Å; L8-N485 WeakPolarHBondContact CD2-O 3.11Å; N73-N485 PolarHBondContact ND2-OD1 2.97Å; Y452-N485 PolarHBondContact O-ND2 2.56Å; Y452-N485 VanDerWaalsContact O-ND2 3.14Å; M453-N485 WeakPolarHBondContact O-CB 3.42Å; M453-N485 PolarHBondContact O-N 2.86Å; R454-N485 WeakPolarHBondContact CD-OD1 3.23Å; R454-N485 WeakPolarHBondContact CG-OD1 3.26Å |
| 486 | S | 89.3 | Confident | 93.8 | Very high | 75 Ų | 75 | 22.5 Ų | 22.5 | 52% | 0.524 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | 15.6 | 176 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | D484 S488 | D484-S486 PolarHBondContact O-N 3.4Å; D484-S486 VanDerWaalsContact O-N 3.1Å; D484-S486 VanDerWaalsContact OD1-C 3.31Å; D484-S486 VanDerWaalsContact OD1-CA 3.27Å; D484-S486 WeakPolarHBondContact OD1-CA 3.28Å; D484-S486 WeakPolarHBondContact OD1-CB 3.44Å; D484-S486 PolarHBondContact OD1-N 3.46Å; S486-S488 PolarHBondContact O-N 2.98Å |
| 487 | N | 89 | Confident | 94 | Very high | 42 Ų | 42 | 21.8 Ų | 21.8 | 23% | 0.225 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 60.9 | 15.9 | -172 | -63.4 | -15.9 | 0 | 0 | 0 | 114.5 | K7 L8 R74 D484 | K7-N487 PolarHBondContact O-ND2 3.16Å; L8-N487 WeakPolarHBondContact CD2-OD1 3.41Å; R74-N487 PolarHBondContact NH1-OD1 3.13Å; R74-N487 PolarHBondContact NH2-OD1 2.87Å; D484-N487 PolarHBondContact O-N 3.04Å; D484-N487 PolarHBondContact OD1-N 2.92Å |
| 488 | S | 92.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -79.6 | 137.8 | 177.3 | -150 | 0 | 0 | 0 | 0 | 110.5 | H459 K483 D484 S486 E493 R496 | H459-S488 PolarHBondContact NE2-O 2.98Å; H459-S488 VanDerWaalsContact NE2-O 3.1Å; K483-S488 CarbonylContact C-O 3.51Å; K483-S488 VanDerWaalsContact CA-O 3.28Å; K483-S488 WeakPolarHBondContact CA-O 3.36Å; D484-S488 VanDerWaalsContact CG-CB 3.5Å; D484-S488 PolarHBondContact N-O 2.96Å; D484-S488 WeakPolarHBondContact OD1-CA 3.5Å; D484-S488 VanDerWaalsContact OD1-CB 3.25Å; D484-S488 WeakPolarHBondContact OD1-CB 3.16Å; D484-S488 PolarHBondContact OD1-N 3.44Å; D484-S488 WeakPolarHBondContact OD2-CB 3.33Å; S486-S488 PolarHBondContact O-N 2.98Å; S488-E493 WeakPolarHBondContact CB-OE1 3.39Å; S488-E493 PolarHBondContact OG-OE1 2.93Å; S488-R496 PolarHBondContact OG-NH1 3.45Å | ||
| 489 | T | 95.5 | Very high | 94.5 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.018 | 14% | 0.143 | C | C | . | . | trans | -105.4 | 165.7 | 169.5 | 61 | 0 | 0 | 0 | 0 | 109.3 | K483 L491 L492 E493 | K483-T489 HydrophobicContact CG-CG2 3.86Å; T489-L491 PolarHBondContact O-N 3.37Å; T489-L491 VanDerWaalsContact O-N 3.14Å; T489-L492 PolarHBondContact O-N 3.04Å; T489-L492 PolarHBondContact OG1-N 3.01Å; T489-E493 PolarHBondContact O-N 2.9Å; T489-E493 VanDerWaalsContact O-N 3.1Å | ||
| 490 | P | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.3 | -32.3 | 172.5 | -25.7 | 35 | 0 | 0 | 0 | 113.3 | L458 A462 E493 A494 L506 | L458-P490 HydrophobicContact CB-CB 4.4Å; L458-P490 HydrophobicContact CB-CG 4.15Å; L458-P490 HydrophobicContact CD2-CB 4.06Å; L458-P490 HydrophobicContact CD2-CG 3.96Å; L458-P490 HydrophobicContact CG-CB 3.81Å; L458-P490 HydrophobicContact CG-CG 3.97Å; A462-P490 HydrophobicContact CB-CB 4.28Å; A462-P490 VanDerWaalsContact CB-O 3.26Å; A462-P490 WeakPolarHBondContact CB-O 3.16Å; P490-E493 PolarHBondContact O-N 2.9Å; P490-A494 PolarHBondContact O-N 2.92Å; P490-L506 HydrophobicContact CB-CD1 4.3Å |
| 491 | L | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.5 | -43.2 | 175 | -179.5 | 63.3 | 0 | 0 | 0 | 111.8 | T489 E493 A494 I495 V503 L506 R507 A511 L513 A542 | T489-L491 PolarHBondContact O-N 3.37Å; T489-L491 VanDerWaalsContact O-N 3.14Å; L491-E493 VanDerWaalsContact C-N 3.34Å; L491-A494 PolarHBondContact O-N 3.09Å; L491-I495 HydrophobicContact CD1-CD1 4.41Å; L491-I495 HydrophobicContact CG-CD1 4.07Å; L491-I495 VanDerWaalsContact O-CG1 3.25Å; L491-I495 WeakPolarHBondContact O-CG1 3.5Å; L491-I495 PolarHBondContact O-N 3.18Å; L491-V503 HydrophobicContact CD1-CB 4.4Å; L491-V503 HydrophobicContact CD1-CG1 3.96Å; L491-L506 HydrophobicContact CB-CD1 4.34Å; L491-L506 HydrophobicContact CD1-CB 4.11Å; L491-L506 HydrophobicContact CD1-CD1 4.41Å; L491-R507 HydrophobicContact CD1-CG 4.43Å; L491-A511 HydrophobicContact CB-CB 4.15Å; L491-A511 HydrophobicContact CD2-CB 4.06Å; L491-L513 HydrophobicContact CD2-CB 4.48Å; L491-L513 HydrophobicContact CD2-CD1 4.48Å; L491-A542 HydrophobicContact CD1-CB 4.38Å |
| 492 | L | 96.5 | Very high | 94.9 | Very high | 8 Ų | 8 | 30.2 Ų | 30.2 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.6 | -36.6 | 176.7 | -74.2 | 170.9 | 0 | 0 | 0 | 112.2 | T489 I495 R496 L513 W539 | T489-L492 PolarHBondContact O-N 3.04Å; T489-L492 PolarHBondContact OG1-N 3.01Å; L492-I495 HydrophobicContact CD2-CD1 4.45Å; L492-I495 PolarHBondContact O-N 3.49Å; L492-R496 VanDerWaalsContact O-CG 3.3Å; L492-R496 WeakPolarHBondContact O-CG 3.3Å; L492-R496 PolarHBondContact O-N 3.3Å; L492-L513 HydrophobicContact CD2-CD1 3.81Å; L492-W539 HydrophobicContact CD2-CH2 4.09Å; L492-W539 HydrophobicContact CD2-CZ3 4.13Å |
| 493 | E | 96.4 | Very high | 95.2 | Very high | 16 Ų | 16 | 29.5 Ų | 29.5 | 8% | 0.075 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.7 | -42.2 | 173.6 | -61.1 | -62.5 | 117.4 | 0 | 0 | 111.6 | R455 H459 A462 A463 S488 T489 P490 L491 I495 R496 G497 | R455-E493 IonicContact CZ-OE1 3.88Å; R455-E493 IonicContact CZ-OE2 3.32Å; R455-E493 IonicContact NH1-OE2 3.12Å; R455-E493 PolarHBondContact NH1-OE2 3.23Å; R455-E493 IonicContact NH2-OE1 2.8Å; R455-E493 PolarHBondContact NH2-OE1 3.2Å; R455-E493 IonicContact NH2-OE2 2.85Å; R455-E493 PolarHBondContact NH2-OE2 3.38Å; R455-E493 VanDerWaalsContact NH2-OE2 3.09Å; H459-E493 HydrophobicContact CB-CG 4.39Å; A462-E493 HydrophobicContact CB-CB 4.34Å; A463-E493 HydrophobicContact CB-CB 4.09Å; S488-E493 WeakPolarHBondContact CB-OE1 3.39Å; S488-E493 PolarHBondContact OG-OE1 2.93Å; T489-E493 PolarHBondContact O-N 2.9Å; T489-E493 VanDerWaalsContact O-N 3.1Å; P490-E493 PolarHBondContact O-N 2.9Å; L491-E493 VanDerWaalsContact C-N 3.34Å; E493-I495 PolarHBondContact O-N 2.93Å; E493-R496 PolarHBondContact O-N 3.28Å; E493-R496 IonicContact OE1-NH1 3.49Å; E493-R496 PolarHBondContact OE1-NH1 2.96Å; E493-G497 PolarHBondContact O-N 3.32Å |
| 494 | A | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.7 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A462 P490 L491 G497 H498 H499 I502 V503 L506 | A462-A494 HydrophobicContact CB-CB 4.18Å; P490-A494 PolarHBondContact O-N 2.92Å; L491-A494 PolarHBondContact O-N 3.09Å; A494-G497 PolarHBondContact O-N 3.15Å; A494-H498 PolarHBondContact O-N 3.01Å; A494-H499 PolarHBondContact O-N 3.43Å; A494-I502 HydrophobicContact CB-CB 4.27Å; A494-I502 HydrophobicContact CB-CG2 3.65Å; A494-V503 HydrophobicContact CB-CG2 3.77Å; A494-L506 HydrophobicContact CB-CD1 4.08Å |
| 495 | I | 97 | Very high | 95.5 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.6 | -45.9 | 176.9 | -67.6 | 163.5 | 0 | 0 | 0 | 110.7 | L491 L492 E493 G497 H498 V503 L513 W539 A542 | L491-I495 HydrophobicContact CD1-CD1 4.41Å; L491-I495 HydrophobicContact CG-CD1 4.07Å; L491-I495 VanDerWaalsContact O-CG1 3.25Å; L491-I495 WeakPolarHBondContact O-CG1 3.5Å; L491-I495 PolarHBondContact O-N 3.18Å; L492-I495 HydrophobicContact CD2-CD1 4.45Å; L492-I495 PolarHBondContact O-N 3.49Å; E493-I495 PolarHBondContact O-N 2.93Å; I495-G497 VanDerWaalsContact C-N 3.25Å; I495-G497 PolarHBondContact O-N 2.94Å; I495-H498 PolarHBondContact O-N 3.14Å; I495-H498 VanDerWaalsContact O-N 3.08Å; I495-V503 HydrophobicContact CG1-CG1 4.46Å; I495-V503 HydrophobicContact CG1-CG2 3.86Å; I495-L513 HydrophobicContact CD1-CD1 3.58Å; I495-W539 HydrophobicContact CD1-CE3 4.15Å; I495-W539 HydrophobicContact CD1-CZ3 4.15Å; I495-W539 HydrophobicContact CG2-CD2 3.58Å; I495-W539 HydrophobicContact CG2-CE3 3.85Å; I495-W539 HydrophobicContact CG2-CG 4.11Å; I495-W539 HydrophobicContact CG2-CH2 4.01Å; I495-W539 HydrophobicContact CG2-CZ2 3.73Å; I495-W539 HydrophobicContact CG2-CZ3 4.08Å; I495-A542 HydrophobicContact CD1-CB 3.45Å; I495-A542 VanDerWaalsContact CD1-CB 3.45Å; I495-A542 HydrophobicContact CG1-CB 4Å |
| 496 | R | 94.6 | Very high | 95.9 | Very high | 132 Ų | 132 | 31 Ų | 31 | 50% | 0.498 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.1 | -30.3 | 178 | -72.5 | 173.6 | -173.8 | 153 | 4.4 | 112.9 | S488 L492 E493 H498 | S488-R496 PolarHBondContact OG-NH1 3.45Å; L492-R496 VanDerWaalsContact O-CG 3.3Å; L492-R496 WeakPolarHBondContact O-CG 3.3Å; L492-R496 PolarHBondContact O-N 3.3Å; E493-R496 PolarHBondContact O-N 3.28Å; E493-R496 IonicContact OE1-NH1 3.49Å; E493-R496 PolarHBondContact OE1-NH1 2.96Å; R496-H498 VanDerWaalsContact C-N 3.32Å |
| 497 | G | 95.1 | Very high | 96.2 | Very high | 26 Ų | 26 | 27.9 Ų | 27.9 | 27% | 0.268 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -0.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E493 A494 I495 H499 | E493-G497 PolarHBondContact O-N 3.32Å; A494-G497 PolarHBondContact O-N 3.15Å; I495-G497 VanDerWaalsContact C-N 3.25Å; I495-G497 PolarHBondContact O-N 2.94Å; G497-H499 PolarHBondContact O-CE1 3.34Å; G497-H499 PolarHBondContact O-N 3.12Å; G497-H499 PolarHBondContact O-NE2 2.98Å |
| 498 | H | 95.7 | Very high | 96.4 | Very high | 75 Ų | 75 | 32.4 Ų | 32.4 | 35% | 0.347 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 26.9 | -175.3 | -45.4 | -65.4 | 0 | 0 | 0 | 114.8 | A494 I495 R496 I500 D532 D534 S535 S538 | A494-H498 PolarHBondContact O-N 3.01Å; I495-H498 PolarHBondContact O-N 3.14Å; I495-H498 VanDerWaalsContact O-N 3.08Å; R496-H498 VanDerWaalsContact C-N 3.32Å; H498-I500 PolarHBondContact O-N 3.2Å; H498-D532 IonicContact CE1-OD2 3.8Å; H498-D534 HydrophobicContact CB-CB 4.45Å; H498-S535 WeakPolarHBondContact ND1-CA 3.47Å; H498-S535 PolarHBondContact ND1-N 3.44Å; H498-S538 WeakPolarHBondContact CA-OG 3.45Å |
| 499 | H | 97.3 | Very high | 96.5 | Very high | 53 Ų | 53 | 33.1 Ų | 33.1 | 25% | 0.245 | 17% | 0.167 | C | C | . | . | trans | -86 | 71.1 | -175.3 | -60.5 | -56.8 | 0 | 0 | 0 | 111.7 | A462 A463 G465 A494 G497 A501 I502 V503 | A462-H499 PolarHBondContact O-CD2 2.88Å; A463-H499 PolarHBondContact O-NE2 3Å; A463-H499 VanDerWaalsContact O-NE2 3.17Å; G465-H499 WeakPolarHBondContact CA-CE1 3.45Å; G465-H499 WeakPolarHBondContact CA-ND1 3.39Å; G465-H499 VanDerWaalsContact CA-NE2 3.34Å; G465-H499 WeakPolarHBondContact CA-NE2 3.28Å; G465-H499 PolarHBondContact N-NE2 2.9Å; A494-H499 PolarHBondContact O-N 3.43Å; G497-H499 PolarHBondContact O-CE1 3.34Å; G497-H499 PolarHBondContact O-N 3.12Å; G497-H499 PolarHBondContact O-NE2 2.98Å; H499-A501 VanDerWaalsContact C-N 3.3Å; H499-A501 PolarHBondContact O-N 2.89Å; H499-I502 HydrophobicContact CB-CB 4.03Å; H499-I502 HydrophobicContact CB-CD1 4Å; H499-I502 HydrophobicContact CB-CG1 4.3Å; H499-I502 WeakPolarHBondContact O-CA 3.3Å; H499-I502 WeakPolarHBondContact O-CB 3.35Å; H499-I502 PolarHBondContact O-N 3.49Å; H499-V503 PolarHBondContact O-N 3.2Å | ||
| 500 | I | 96.9 | Very high | 96.5 | Very high | 49 Ų | 49 | 33.6 Ų | 33.6 | 25% | 0.251 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -52 | -44 | -172.6 | -63.6 | 173.5 | 0 | 0 | 0 | 112.7 | H498 I502 V503 E504 K537 | H498-I500 PolarHBondContact O-N 3.2Å; I500-I502 VanDerWaalsContact C-N 3.26Å; I500-I502 PolarHBondContact O-N 3.17Å; I500-V503 WeakPolarHBondContact O-CB 3.35Å; I500-V503 PolarHBondContact O-N 3.45Å; I500-V503 VanDerWaalsContact O-N 3.14Å; I500-E504 HydrophobicContact CG2-CG 4.43Å; I500-E504 WeakPolarHBondContact O-CG 3.27Å; I500-E504 PolarHBondContact O-N 3.25Å; I500-K537 HydrophobicContact CD1-CB 3.89Å |
| 501 | A | 97.7 | Very high | 96.4 | Very high | 57 Ų | 57 | 33.6 Ų | 33.6 | 47% | 0.471 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61 | -34.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L467 H499 L505 | L467-A501 HydrophobicContact CD2-CB 4.43Å; H499-A501 VanDerWaalsContact C-N 3.3Å; H499-A501 PolarHBondContact O-N 2.89Å; A501-L505 WeakPolarHBondContact O-CB 3.32Å; A501-L505 PolarHBondContact O-N 3.16Å; A501-L505 VanDerWaalsContact O-N 3.16Å |
| 502 | I | 98.2 | Very high | 96.2 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -75.4 | -41 | 175.4 | -68 | 173.9 | 0 | 0 | 0 | 110.4 | A462 G465 L467 V470 A494 H499 I500 E504 L505 L506 | A462-I502 HydrophobicContact CB-CG2 4.25Å; G465-I502 VanDerWaalsContact C-CD1 3.41Å; L467-I502 HydrophobicContact CB-CG1 4.35Å; L467-I502 HydrophobicContact CD1-CG1 3.83Å; V470-I502 HydrophobicContact CG1-CG2 4.27Å; V470-I502 HydrophobicContact CG2-CD1 4.02Å; V470-I502 HydrophobicContact CG2-CG1 4.31Å; V470-I502 HydrophobicContact CG2-CG2 4.09Å; A494-I502 HydrophobicContact CB-CB 4.27Å; A494-I502 HydrophobicContact CB-CG2 3.65Å; H499-I502 HydrophobicContact CB-CB 4.03Å; H499-I502 HydrophobicContact CB-CD1 4Å; H499-I502 HydrophobicContact CB-CG1 4.3Å; H499-I502 WeakPolarHBondContact O-CA 3.3Å; H499-I502 WeakPolarHBondContact O-CB 3.35Å; H499-I502 PolarHBondContact O-N 3.49Å; I500-I502 VanDerWaalsContact C-N 3.26Å; I500-I502 PolarHBondContact O-N 3.17Å; I502-E504 VanDerWaalsContact C-N 3.33Å; I502-E504 PolarHBondContact O-N 3.15Å; I502-L505 PolarHBondContact O-N 3.05Å; I502-L506 HydrophobicContact CG2-CD1 3.76Å; I502-L506 HydrophobicContact CG2-CG 4.11Å; I502-L506 WeakPolarHBondContact O-CB 3.45Å; I502-L506 VanDerWaalsContact O-CG 3.3Å; I502-L506 WeakPolarHBondContact O-CG 3.34Å; I502-L506 PolarHBondContact O-N 3.47Å |
| 503 | V | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54.5 | -50.4 | 174.7 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | L491 A494 I495 H499 I500 L505 L506 R507 A542 | L491-V503 HydrophobicContact CD1-CB 4.4Å; L491-V503 HydrophobicContact CD1-CG1 3.96Å; A494-V503 HydrophobicContact CB-CG2 3.77Å; I495-V503 HydrophobicContact CG1-CG1 4.46Å; I495-V503 HydrophobicContact CG1-CG2 3.86Å; H499-V503 PolarHBondContact O-N 3.2Å; I500-V503 WeakPolarHBondContact O-CB 3.35Å; I500-V503 PolarHBondContact O-N 3.45Å; I500-V503 VanDerWaalsContact O-N 3.14Å; V503-L505 PolarHBondContact O-N 2.91Å; V503-L506 PolarHBondContact O-N 3.3Å; V503-R507 WeakPolarHBondContact O-CG 3.48Å; V503-R507 PolarHBondContact O-N 3.06Å; V503-A542 HydrophobicContact CG1-CB 3.75Å |
| 504 | E | 97 | Very high | 95.5 | Very high | 86 Ų | 86 | 36 Ų | 36 | 40% | 0.402 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 178 | -69.9 | 180 | -176.8 | 0 | 0 | 112.6 | I500 I502 R507 K508 | I500-E504 HydrophobicContact CG2-CG 4.43Å; I500-E504 WeakPolarHBondContact O-CG 3.27Å; I500-E504 PolarHBondContact O-N 3.25Å; I502-E504 VanDerWaalsContact C-N 3.33Å; I502-E504 PolarHBondContact O-N 3.15Å; E504-R507 PolarHBondContact O-N 3.48Å; E504-K508 WeakPolarHBondContact O-CB 3.41Å; E504-K508 VanDerWaalsContact O-CG 3.28Å; E504-K508 WeakPolarHBondContact O-CG 3.46Å; E504-K508 PolarHBondContact O-N 3.28Å |
| 505 | L | 96.9 | Very high | 95 | Very high | 24 Ų | 24 | 38.1 Ų | 38.1 | 13% | 0.126 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64 | -42.8 | 177.7 | 176.8 | 61.5 | 0 | 0 | 0 | 112 | L467 V470 Q471 L474 A501 I502 V503 K508 S509 | L467-L505 HydrophobicContact CD1-CD2 3.76Å; V470-L505 HydrophobicContact CB-CD2 4.48Å; V470-L505 HydrophobicContact CG1-CD2 3.71Å; V470-L505 HydrophobicContact CG1-CG 4.49Å; Q471-L505 HydrophobicContact CG-CD2 3.51Å; L474-L505 HydrophobicContact CD1-CD1 4.42Å; L474-L505 HydrophobicContact CD1-CD2 4.1Å; L474-L505 HydrophobicContact CD1-CG 3.93Å; A501-L505 WeakPolarHBondContact O-CB 3.32Å; A501-L505 PolarHBondContact O-N 3.16Å; A501-L505 VanDerWaalsContact O-N 3.16Å; I502-L505 PolarHBondContact O-N 3.05Å; V503-L505 PolarHBondContact O-N 2.91Å; L505-K508 PolarHBondContact O-N 2.91Å; L505-S509 WeakPolarHBondContact O-CB 3.44Å; L505-S509 PolarHBondContact O-N 2.93Å; L505-S509 PolarHBondContact O-OG 3.14Å |
| 506 | L | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.1 | -44 | 177.8 | -71.2 | 174 | 0 | 0 | 0 | 111 | L458 A462 V470 L474 V480 P490 L491 A494 I502 V503 K508 S509 G510 A511 | L458-L506 HydrophobicContact CD1-CD2 4.47Å; L458-L506 HydrophobicContact CD2-CD2 4.12Å; L458-L506 HydrophobicContact CG-CD2 4.48Å; A462-L506 HydrophobicContact CB-CD1 4.47Å; V470-L506 HydrophobicContact CG1-CD2 4.34Å; L474-L506 HydrophobicContact CD1-CD2 4.36Å; L474-L506 HydrophobicContact CD2-CD2 4.28Å; V480-L506 HydrophobicContact CG1-CD2 3.9Å; P490-L506 HydrophobicContact CB-CD1 4.3Å; L491-L506 HydrophobicContact CB-CD1 4.34Å; L491-L506 HydrophobicContact CD1-CB 4.11Å; L491-L506 HydrophobicContact CD1-CD1 4.41Å; A494-L506 HydrophobicContact CB-CD1 4.08Å; I502-L506 HydrophobicContact CG2-CD1 3.76Å; I502-L506 HydrophobicContact CG2-CG 4.11Å; I502-L506 WeakPolarHBondContact O-CB 3.45Å; I502-L506 VanDerWaalsContact O-CG 3.3Å; I502-L506 WeakPolarHBondContact O-CG 3.34Å; I502-L506 PolarHBondContact O-N 3.47Å; V503-L506 PolarHBondContact O-N 3.3Å; L506-K508 PolarHBondContact O-N 3.14Å; L506-S509 CarbonylContact O-C 3.58Å; L506-S509 WeakPolarHBondContact O-CA 3.49Å; L506-S509 PolarHBondContact O-N 3.47Å; L506-G510 PolarHBondContact O-N 2.95Å; L506-A511 VanDerWaalsContact C-CB 3.49Å; L506-A511 HydrophobicContact CB-CB 3.85Å; L506-A511 WeakPolarHBondContact O-CB 3.31Å; L506-A511 PolarHBondContact O-N 3.1Å |
| 507 | R | 95.8 | Very high | 94 | Very high | 10 Ų | 10 | 39.8 Ų | 39.8 | 4% | 0.038 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.6 | -44.9 | 173.6 | -74 | -63.6 | -55.5 | 179.8 | 23.5 | 111.9 | E109 K231 L491 V503 E504 S509 G510 A511 H512 A542 E543 | E109-R507 IonicContact OE1-NH2 3.87Å; E109-R507 PolarHBondContact OE1-NH2 3.14Å; E109-R507 IonicContact OE2-NH2 2.86Å; K231-R507 WeakPolarHBondContact CE-O 3.09Å; L491-R507 HydrophobicContact CD1-CG 4.43Å; V503-R507 WeakPolarHBondContact O-CG 3.48Å; V503-R507 PolarHBondContact O-N 3.06Å; E504-R507 PolarHBondContact O-N 3.48Å; R507-S509 PolarHBondContact O-N 2.85Å; R507-G510 PolarHBondContact O-N 3.21Å; R507-G510 VanDerWaalsContact O-N 3.15Å; R507-A511 VanDerWaalsContact CD-O 3.31Å; R507-A511 WeakPolarHBondContact CD-O 3.25Å; R507-A511 PolarHBondContact NE-O 2.75Å; R507-H512 VanDerWaalsContact NH1-CA 3.3Å; R507-A542 PolarHBondContact NH1-O 3.46Å; R507-E543 IonicContact CZ-OE1 2.92Å; R507-E543 IonicContact CZ-OE2 2.97Å; R507-E543 VanDerWaalsContact NE-CD 3.34Å; R507-E543 IonicContact NE-OE1 3.09Å; R507-E543 PolarHBondContact NE-OE1 3.08Å; R507-E543 IonicContact NE-OE2 2.9Å; R507-E543 IonicContact NH2-OE1 3.37Å; R507-E543 PolarHBondContact NH2-OE1 2.77Å; R507-E543 VanDerWaalsContact NH2-OE1 3.09Å; R507-E543 IonicContact NH2-OE2 3.34Å; R507-E543 PolarHBondContact NH2-OE2 2.97Å |
| 508 | K | 94.6 | Very high | 93.6 | Very high | 138 Ų | 138 | 43.5 Ų | 43.5 | 60% | 0.6 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -60.4 | -31.3 | 175.1 | -75.5 | 171.7 | -176.7 | 169.9 | 0 | 112.3 | S230 K231 E504 L505 L506 G510 | S230-K508 CarbonylContact C-O 3.6Å; K231-K508 PolarHBondContact N-O 3.43Å; E504-K508 WeakPolarHBondContact O-CB 3.41Å; E504-K508 VanDerWaalsContact O-CG 3.28Å; E504-K508 WeakPolarHBondContact O-CG 3.46Å; E504-K508 PolarHBondContact O-N 3.28Å; L505-K508 PolarHBondContact O-N 2.91Å; L506-K508 PolarHBondContact O-N 3.14Å; K508-G510 VanDerWaalsContact C-N 3.32Å; K508-G510 PolarHBondContact O-N 3.16Å |
| 509 | S | 94.5 | Very high | 93.3 | Very high | 14 Ų | 14 | 42.8 Ų | 42.8 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 14.3 | 179.1 | -49.9 | 0 | 0 | 0 | 0 | 113.9 | S230 L505 L506 R507 | S230-S509 CarbonylContact O-C 3.51Å; L505-S509 WeakPolarHBondContact O-CB 3.44Å; L505-S509 PolarHBondContact O-N 2.93Å; L505-S509 PolarHBondContact O-OG 3.14Å; L506-S509 CarbonylContact O-C 3.58Å; L506-S509 WeakPolarHBondContact O-CA 3.49Å; L506-S509 PolarHBondContact O-N 3.47Å; R507-S509 PolarHBondContact O-N 2.85Å |
| 510 | G | 93.9 | Very high | 93.1 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 13% | 0.134 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | -7.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | H481 L506 R507 K508 H512 | H481-G510 PolarHBondContact CE1-O 3.28Å; L506-G510 PolarHBondContact O-N 2.95Å; R507-G510 PolarHBondContact O-N 3.21Å; R507-G510 VanDerWaalsContact O-N 3.15Å; K508-G510 VanDerWaalsContact C-N 3.32Å; K508-G510 PolarHBondContact O-N 3.16Å; G510-H512 PolarHBondContact O-N 2.92Å |
| 511 | A | 95.5 | Very high | 93 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | trans | -61.1 | 140.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V480 L491 L506 R507 | V480-A511 HydrophobicContact CB-CB 3.88Å; V480-A511 HydrophobicContact CG2-CB 4.05Å; L491-A511 HydrophobicContact CB-CB 4.15Å; L491-A511 HydrophobicContact CD2-CB 4.06Å; L506-A511 VanDerWaalsContact C-CB 3.49Å; L506-A511 HydrophobicContact CB-CB 3.85Å; L506-A511 WeakPolarHBondContact O-CB 3.31Å; L506-A511 PolarHBondContact O-N 3.1Å; R507-A511 VanDerWaalsContact CD-O 3.31Å; R507-A511 WeakPolarHBondContact CD-O 3.25Å; R507-A511 PolarHBondContact NE-O 2.75Å | ||
| 512 | H | 93.5 | Very high | 92.9 | Very high | 10 Ų | 10 | 39 Ų | 39 | 5% | 0.046 | 21% | 0.213 | C | C | . | . | trans | -132 | 155.8 | 174.7 | 54.4 | -74.8 | 0 | 0 | 0 | 110.7 | E109 K139 H481 R507 G510 T514 | E109-H512 HydrophobicContact CB-CB 4.18Å; E109-H512 HydrophobicContact CG-CB 3.9Å; E109-H512 PolarHBondContact O-CD2 2.79Å; K139-H512 WeakPolarHBondContact CE-CE1 3.15Å; K139-H512 PolarHBondContact NZ-CE1 2.99Å; K139-H512 PolarHBondContact NZ-NE2 3.01Å; H481-H512 AromaticContact CE1-CE1 3.39Å; H481-H512 PolarHBondContact CE1-CE1 3.34Å; H481-H512 AromaticContact CE1-ND1 3.5Å; H481-H512 PolarHBondContact CE1-ND1 3.1Å; H481-H512 AromaticContact ND1-CE1 3.21Å; H481-H512 PolarHBondContact ND1-CE1 3.02Å; H481-H512 AromaticContact ND1-ND1 3.66Å; R507-H512 VanDerWaalsContact NH1-CA 3.3Å; G510-H512 PolarHBondContact O-N 2.92Å; H512-T514 VanDerWaalsContact CD2-CG2 3.47Å; H512-T514 WeakPolarHBondContact CD2-CG2 3.42Å; H512-T514 WeakPolarHBondContact NE2-CG2 3.3Å; H512-T514 PolarHBondContact O-N 3.37Å; H512-T514 VanDerWaalsContact O-N 3.17Å | ||
| 513 | L | 92.6 | Very high | 92.7 | Very high | 31 Ų | 31 | 41.6 Ų | 41.6 | 16% | 0.162 | 23% | 0.227 | C | C | . | . | trans | -82.2 | 97.7 | -172.1 | -171.8 | 65.9 | 0 | 0 | 0 | 110.5 | L491 L492 I495 I515 W539 A542 A544 | L491-L513 HydrophobicContact CD2-CB 4.48Å; L491-L513 HydrophobicContact CD2-CD1 4.48Å; L492-L513 HydrophobicContact CD2-CD1 3.81Å; I495-L513 HydrophobicContact CD1-CD1 3.58Å; L513-I515 HydrophobicContact CD1-CG2 4.45Å; L513-I515 HydrophobicContact CD2-CG2 3.97Å; L513-I515 HydrophobicContact CG-CG2 3.82Å; L513-I515 PolarHBondContact O-N 3.43Å; L513-W539 HydrophobicContact CD1-CE3 4.41Å; L513-W539 HydrophobicContact CD1-CZ3 3.98Å; L513-W539 HydrophobicContact CD2-CE3 4.16Å; L513-W539 HydrophobicContact CD2-CZ3 4.29Å; L513-A542 HydrophobicContact CD1-CB 4.48Å; L513-A544 HydrophobicContact CD2-CB 3.56Å | ||
| 514 | T | 85.1 | Confident | 92.6 | Very high | 34 Ų | 34 | 41.6 Ų | 41.6 | 21% | 0.209 | 23% | 0.227 | C | C | . | . | trans | -93 | 86.2 | 175 | 58.6 | 0 | 0 | 0 | 0 | 110.5 | H512 | H512-T514 VanDerWaalsContact CD2-CG2 3.47Å; H512-T514 WeakPolarHBondContact CD2-CG2 3.42Å; H512-T514 WeakPolarHBondContact NE2-CG2 3.3Å; H512-T514 PolarHBondContact O-N 3.37Å; H512-T514 VanDerWaalsContact O-N 3.17Å | ||
| 515 | I | 87.7 | Confident | 92.6 | Very high | 43 Ų | 43 | 38.9 Ų | 38.9 | 22% | 0.221 | 22% | 0.219 | C | C | . | . | trans | -134.7 | 141 | 176.3 | -169.5 | 166.1 | 0 | 0 | 0 | 109.9 | L513 N519 L520 W539 | L513-I515 HydrophobicContact CD1-CG2 4.45Å; L513-I515 HydrophobicContact CD2-CG2 3.97Å; L513-I515 HydrophobicContact CG-CG2 3.82Å; L513-I515 PolarHBondContact O-N 3.43Å; I515-N519 HydrophobicContact CD1-CB 4.11Å; I515-N519 HydrophobicContact CG1-CB 3.82Å; I515-L520 HydrophobicContact CD1-CB 4.21Å; I515-L520 HydrophobicContact CG1-CB 4.33Å; I515-L520 HydrophobicContact CG2-CB 3.84Å; I515-L520 HydrophobicContact CG2-CD1 4.33Å; I515-L520 HydrophobicContact CG2-CD2 4.21Å; I515-L520 HydrophobicContact CG2-CG 4.35Å; I515-W539 HydrophobicContact CD1-CH2 3.71Å; I515-W539 HydrophobicContact CD1-CZ3 3.87Å | ||
| 516 | E | 84.7 | Confident | 92.5 | Very high | 83 Ų | 83 | 44.1 Ų | 44.1 | 39% | 0.388 | 25% | 0.245 | S | C | . | . | trans | -66.7 | 140.8 | 173.8 | -64 | -177.3 | 140.9 | 0 | 0 | 110.3 | L518 N519 L520 | E516-L518 PolarHBondContact O-N 3.35Å; E516-L518 VanDerWaalsContact O-N 3.16Å; E516-N519 HydrophobicContact CB-CB 4.4Å; E516-N519 WeakPolarHBondContact O-CA 3.37Å; E516-N519 PolarHBondContact O-N 3.46Å; E516-N519 PolarHBondContact OE2-ND2 3.47Å; E516-L520 PolarHBondContact O-N 3Å | ||
| 517 | P | 86.5 | Confident | 92.5 | Very high | 85 Ų | 85 | 44.3 Ų | 44.3 | 55% | 0.552 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -52.1 | -41 | -178.8 | -29.4 | 35.5 | 0 | 0 | 0 | 113.8 | N519 L520 C521 V548 | P517-N519 PolarHBondContact O-N 3.34Å; P517-L520 PolarHBondContact O-N 3.3Å; P517-C521 WeakPolarHBondContact O-CB 3.46Å; P517-C521 PolarHBondContact O-N 3.24Å; P517-V548 HydrophobicContact CB-CG1 4.07Å; P517-V548 WeakPolarHBondContact O-CG1 3.34Å |
| 518 | L | 87 | Confident | 92.6 | Very high | 105 Ų | 105 | 43.8 Ų | 43.8 | 55% | 0.55 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.6 | -36.5 | 177.4 | -68.6 | 173.7 | 0 | 0 | 0 | 112.9 | E516 C521 A522 | E516-L518 PolarHBondContact O-N 3.35Å; E516-L518 VanDerWaalsContact O-N 3.16Å; L518-C521 PolarHBondContact O-SG 3.5Å; L518-A522 WeakPolarHBondContact O-CB 3.3Å; L518-A522 PolarHBondContact O-N 3.36Å; L518-A522 VanDerWaalsContact O-N 3.16Å |
| 519 | N | 89.3 | Confident | 92.7 | Very high | 59 Ų | 59 | 39.3 Ų | 39.3 | 32% | 0.316 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -71.9 | -38.8 | 175.3 | -71.2 | -38.1 | 0 | 0 | 0 | 110.7 | I515 E516 P517 A522 N523 | I515-N519 HydrophobicContact CD1-CB 4.11Å; I515-N519 HydrophobicContact CG1-CB 3.82Å; E516-N519 HydrophobicContact CB-CB 4.4Å; E516-N519 WeakPolarHBondContact O-CA 3.37Å; E516-N519 PolarHBondContact O-N 3.46Å; E516-N519 PolarHBondContact OE2-ND2 3.47Å; P517-N519 PolarHBondContact O-N 3.34Å; N519-A522 PolarHBondContact O-N 3.05Å; N519-N523 PolarHBondContact O-N 3.09Å; N519-N523 VanDerWaalsContact O-N 3.1Å; N519-N523 PolarHBondContact O-ND2 2.88Å |
| 520 | L | 93.4 | Very high | 92.7 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 5% | 0.052 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.3 | -48.8 | 174.8 | -179.3 | 57.4 | 0 | 0 | 0 | 111 | I515 E516 P517 A522 N523 L524 W539 A544 V548 | I515-L520 HydrophobicContact CD1-CB 4.21Å; I515-L520 HydrophobicContact CG1-CB 4.33Å; I515-L520 HydrophobicContact CG2-CB 3.84Å; I515-L520 HydrophobicContact CG2-CD1 4.33Å; I515-L520 HydrophobicContact CG2-CD2 4.21Å; I515-L520 HydrophobicContact CG2-CG 4.35Å; E516-L520 PolarHBondContact O-N 3Å; P517-L520 PolarHBondContact O-N 3.3Å; L520-A522 VanDerWaalsContact C-N 3.27Å; L520-A522 PolarHBondContact O-N 3.14Å; L520-N523 PolarHBondContact O-N 3.02Å; L520-N523 VanDerWaalsContact O-N 3.14Å; L520-L524 HydrophobicContact CD1-CD1 4.06Å; L520-L524 HydrophobicContact CD1-CD2 4.26Å; L520-L524 HydrophobicContact CD1-CG 3.93Å; L520-L524 HydrophobicContact CG-CD1 3.93Å; L520-L524 HydrophobicContact CG-CG 4.23Å; L520-L524 VanDerWaalsContact O-CG 3.31Å; L520-L524 WeakPolarHBondContact O-CG 3.44Å; L520-L524 PolarHBondContact O-N 2.93Å; L520-W539 HydrophobicContact CD1-CD2 4.21Å; L520-W539 HydrophobicContact CD1-CE3 3.69Å; L520-W539 HydrophobicContact CD1-CZ3 3.95Å; L520-A544 HydrophobicContact CD1-CB 4.08Å; L520-A544 HydrophobicContact CD2-CB 4.27Å; L520-V548 HydrophobicContact CD2-CG2 4.11Å |
| 521 | C | 94.6 | Very high | 92.8 | Very high | 13 Ų | 13 | 44 Ų | 44 | 9% | 0.088 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60 | -39.2 | -179.6 | 82.6 | 0 | 0 | 0 | 0 | 111.7 | P517 L518 L524 A525 V548 | P517-C521 WeakPolarHBondContact O-CB 3.46Å; P517-C521 PolarHBondContact O-N 3.24Å; L518-C521 PolarHBondContact O-SG 3.5Å; C521-L524 PolarHBondContact O-N 3.16Å; C521-A525 WeakPolarHBondContact O-CB 3.43Å; C521-A525 PolarHBondContact O-N 2.95Å; C521-V548 HydrophobicContact CB-CG1 3.85Å |
| 522 | A | 94.3 | Very high | 92.8 | Very high | 56 Ų | 56 | 46.4 Ų | 46.4 | 46% | 0.463 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | L518 N519 L520 M526 | L518-A522 WeakPolarHBondContact O-CB 3.3Å; L518-A522 PolarHBondContact O-N 3.36Å; L518-A522 VanDerWaalsContact O-N 3.16Å; N519-A522 PolarHBondContact O-N 3.05Å; L520-A522 VanDerWaalsContact C-N 3.27Å; L520-A522 PolarHBondContact O-N 3.14Å; A522-M526 WeakPolarHBondContact O-CB 3.4Å; A522-M526 PolarHBondContact O-N 2.99Å |
| 523 | N | 94.7 | Very high | 93 | Very high | 58 Ų | 58 | 46.7 Ų | 46.7 | 31% | 0.31 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 176 | -77.6 | -73.1 | 0 | 0 | 0 | 111.7 | N519 L520 M526 A527 W539 | N519-N523 PolarHBondContact O-N 3.09Å; N519-N523 VanDerWaalsContact O-N 3.1Å; N519-N523 PolarHBondContact O-ND2 2.88Å; L520-N523 PolarHBondContact O-N 3.02Å; L520-N523 VanDerWaalsContact O-N 3.14Å; N523-M526 PolarHBondContact O-N 3.21Å; N523-A527 PolarHBondContact O-N 3.15Å; N523-W539 HydrophobicContact CB-CH2 4.38Å; N523-W539 HydrophobicContact CB-CZ2 3.68Å |
| 524 | L | 96.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.1 | -40.7 | 178.6 | -63.7 | 179 | 0 | 0 | 0 | 112.1 | L520 C521 A527 A528 M536 W539 L546 A556 | L520-L524 HydrophobicContact CD1-CD1 4.06Å; L520-L524 HydrophobicContact CD1-CD2 4.26Å; L520-L524 HydrophobicContact CD1-CG 3.93Å; L520-L524 HydrophobicContact CG-CD1 3.93Å; L520-L524 HydrophobicContact CG-CG 4.23Å; L520-L524 VanDerWaalsContact O-CG 3.31Å; L520-L524 WeakPolarHBondContact O-CG 3.44Å; L520-L524 PolarHBondContact O-N 2.93Å; C521-L524 PolarHBondContact O-N 3.16Å; L524-A527 PolarHBondContact O-N 3.21Å; L524-A528 WeakPolarHBondContact O-CB 3.24Å; L524-A528 PolarHBondContact O-N 3Å; L524-M536 HydrophobicContact CB-CE 4.5Å; L524-M536 HydrophobicContact CD2-CE 4.33Å; L524-M536 HydrophobicContact CD2-SD 3.76Å; L524-W539 HydrophobicContact CD2-CB 3.92Å; L524-W539 HydrophobicContact CD2-CG 3.93Å; L524-L546 HydrophobicContact CD1-CD2 4.18Å; L524-L546 HydrophobicContact CD2-CD2 3.71Å; L524-A556 HydrophobicContact CB-CB 4.02Å |
| 525 | A | 96 | Very high | 93.6 | Very high | 28 Ų | 28 | 48.6 Ų | 48.6 | 23% | 0.231 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.5 | -41 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | C521 A528 A529 V559 | C521-A525 WeakPolarHBondContact O-CB 3.43Å; C521-A525 PolarHBondContact O-N 2.95Å; A525-A528 PolarHBondContact O-N 3.17Å; A525-A529 WeakPolarHBondContact O-CB 3.35Å; A525-A529 PolarHBondContact O-N 3.1Å; A525-V559 HydrophobicContact CB-CG2 4.05Å |
| 526 | M | 96 | Very high | 94 | Very high | 135 Ų | 135 | 46.6 Ų | 46.6 | 67% | 0.665 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.8 | -49.6 | 176 | -174.7 | 173.1 | -67.5 | 0 | 0 | 111.3 | A522 N523 A528 A529 S530 | A522-M526 WeakPolarHBondContact O-CB 3.4Å; A522-M526 PolarHBondContact O-N 2.99Å; N523-M526 PolarHBondContact O-N 3.21Å; M526-A528 VanDerWaalsContact C-N 3.29Å; M526-A528 PolarHBondContact O-N 3.37Å; M526-A529 PolarHBondContact O-N 2.92Å; M526-S530 PolarHBondContact O-N 2.87Å; M526-S530 PolarHBondContact O-OG 2.87Å; M526-S530 VanDerWaalsContact O-OG 3.07Å |
| 527 | A | 96.4 | Very high | 94.6 | Very high | 3 Ų | 3 | 46 Ų | 46 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.6 | -40.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N523 L524 S530 N531 D532 M536 | N523-A527 PolarHBondContact O-N 3.15Å; L524-A527 PolarHBondContact O-N 3.21Å; A527-S530 PolarHBondContact O-N 3.32Å; A527-S530 PolarHBondContact O-OG 3.38Å; A527-N531 PolarHBondContact O-N 3.17Å; A527-N531 VanDerWaalsContact O-N 3.12Å; A527-D532 HydrophobicContact CB-CB 4.4Å; A527-D532 PolarHBondContact O-N 3.34Å; A527-M536 HydrophobicContact CB-CE 4.11Å |
| 528 | A | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.8 | -37.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L524 A525 M526 M536 A556 V559 A560 N565 M568 | L524-A528 WeakPolarHBondContact O-CB 3.24Å; L524-A528 PolarHBondContact O-N 3Å; A525-A528 PolarHBondContact O-N 3.17Å; M526-A528 VanDerWaalsContact C-N 3.29Å; M526-A528 PolarHBondContact O-N 3.37Å; A528-M536 HydrophobicContact CB-CE 4.27Å; A528-A556 HydrophobicContact CB-CB 4.15Å; A528-A556 WeakPolarHBondContact CB-O 3.44Å; A528-V559 HydrophobicContact CB-CB 4.27Å; A528-V559 HydrophobicContact CB-CG1 4.34Å; A528-A560 HydrophobicContact CB-CB 4.18Å; A528-N565 PolarHBondContact O-ND2 2.81Å; A528-M568 HydrophobicContact CB-CG 4.23Å |
| 529 | A | 96.5 | Very high | 95.5 | Very high | 43 Ų | 43 | 37.2 Ų | 37.2 | 36% | 0.355 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -72.4 | -37.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A525 M526 N531 V559 V563 N565 | A525-A529 WeakPolarHBondContact O-CB 3.35Å; A525-A529 PolarHBondContact O-N 3.1Å; M526-A529 PolarHBondContact O-N 2.92Å; A529-N531 VanDerWaalsContact C-N 3.34Å; A529-V559 HydrophobicContact CB-CG1 3.84Å; A529-V563 HydrophobicContact CB-CG2 4.4Å; A529-N565 PolarHBondContact O-ND2 3.08Å |
| 530 | S | 95.8 | Very high | 95.9 | Very high | 75 Ų | 75 | 38 Ų | 38 | 52% | 0.524 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -86.3 | 0.5 | 179.8 | 62.3 | 0 | 0 | 0 | 0 | 114.6 | M526 A527 D532 | M526-S530 PolarHBondContact O-N 2.87Å; M526-S530 PolarHBondContact O-OG 2.87Å; M526-S530 VanDerWaalsContact O-OG 3.07Å; A527-S530 PolarHBondContact O-N 3.32Å; A527-S530 PolarHBondContact O-OG 3.38Å; S530-D532 PolarHBondContact O-N 3.09Å; S530-D532 WeakPolarHBondContact OG-CB 3.38Å |
| 531 | N | 95.6 | Very high | 96 | Very high | 51 Ų | 51 | 39.1 Ų | 39.1 | 27% | 0.273 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 34.6 | -170.2 | -160.3 | 49.4 | 0 | 0 | 0 | 112.9 | A527 A529 L533 N565 M568 | A527-N531 PolarHBondContact O-N 3.17Å; A527-N531 VanDerWaalsContact O-N 3.12Å; A529-N531 VanDerWaalsContact C-N 3.34Å; N531-L533 PolarHBondContact O-N 2.8Å; N531-L533 VanDerWaalsContact O-N 3.08Å; N531-N565 HydrophobicContact CB-CB 4.17Å; N531-N565 PolarHBondContact N-ND2 3.15Å; N531-M568 WeakPolarHBondContact OD1-CB 3.45Å; N531-M568 PolarHBondContact OD1-N 2.7Å |
| 532 | D | 96.1 | Very high | 96 | Very high | 51 Ų | 51 | 38.5 Ų | 38.5 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | trans | -83.2 | 85 | 179.9 | -177.5 | -6.7 | 0 | 0 | 0 | 110.3 | H498 A527 S530 D534 S535 M536 | H498-D532 IonicContact CE1-OD2 3.8Å; A527-D532 HydrophobicContact CB-CB 4.4Å; A527-D532 PolarHBondContact O-N 3.34Å; S530-D532 PolarHBondContact O-N 3.09Å; S530-D532 WeakPolarHBondContact OG-CB 3.38Å; D532-D534 VanDerWaalsContact C-N 3.33Å; D532-D534 PolarHBondContact OD1-N 2.97Å; D532-S535 WeakPolarHBondContact OD1-CB 3.43Å; D532-S535 PolarHBondContact OD1-N 2.89Å; D532-S535 WeakPolarHBondContact OD2-CB 3.38Å; D532-M536 PolarHBondContact O-N 3.48Å; D532-M536 VanDerWaalsContact O-N 3.11Å | ||
| 533 | L | 95.8 | Very high | 96 | Very high | 17 Ų | 17 | 41.2 Ų | 41.2 | 9% | 0.089 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.4 | -30 | -179.1 | -75.6 | 164 | 0 | 0 | 0 | 113.3 | N531 M536 K537 E567 M568 Y571 | N531-L533 PolarHBondContact O-N 2.8Å; N531-L533 VanDerWaalsContact O-N 3.08Å; L533-M536 PolarHBondContact O-N 3.49Å; L533-K537 WeakPolarHBondContact O-CB 3.28Å; L533-K537 WeakPolarHBondContact O-CD 3.45Å; L533-K537 WeakPolarHBondContact O-CG 3.48Å; L533-K537 PolarHBondContact O-N 2.99Å; L533-E567 HydrophobicContact CD1-CB 4.09Å; L533-E567 HydrophobicContact CD1-CG 3.45Å; L533-E567 VanDerWaalsContact CD1-CG 3.45Å; L533-E567 WeakPolarHBondContact CD1-OE1 3.38Å; L533-E567 VanDerWaalsContact CD1-OE2 3.31Å; L533-E567 WeakPolarHBondContact CD1-OE2 3.38Å; L533-M568 HydrophobicContact CD2-CE 3.78Å; L533-M568 HydrophobicContact CD2-SD 4.06Å; L533-M568 HydrophobicContact CG-CE 4.02Å; L533-Y571 HydrophobicContact CD2-CD1 4.46Å; L533-Y571 HydrophobicContact CD2-CD2 4.42Å; L533-Y571 HydrophobicContact CD2-CG 3.97Å |
| 534 | D | 95.4 | Very high | 96 | Very high | 90 Ų | 90 | 38.8 Ų | 38.8 | 48% | 0.481 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -72.2 | -38.5 | -179.5 | -67.1 | -31.3 | 0 | 0 | 0 | 111 | H498 D532 K537 S538 | H498-D534 HydrophobicContact CB-CB 4.45Å; D532-D534 VanDerWaalsContact C-N 3.33Å; D532-D534 PolarHBondContact OD1-N 2.97Å; D534-K537 IonicContact OD1-NZ 2.72Å; D534-S538 WeakPolarHBondContact O-CB 3.47Å; D534-S538 PolarHBondContact O-N 3.21Å; D534-S538 PolarHBondContact O-OG 3.41Å |
| 535 | S | 95.6 | Very high | 95.9 | Very high | 15 Ų | 15 | 43.1 Ų | 43.1 | 11% | 0.105 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.7 | -51.4 | 165.4 | -170.3 | 0 | 0 | 0 | 0 | 111.9 | H498 D532 K537 S538 W539 | H498-S535 WeakPolarHBondContact ND1-CA 3.47Å; H498-S535 PolarHBondContact ND1-N 3.44Å; D532-S535 WeakPolarHBondContact OD1-CB 3.43Å; D532-S535 PolarHBondContact OD1-N 2.89Å; D532-S535 WeakPolarHBondContact OD2-CB 3.38Å; S535-K537 VanDerWaalsContact C-N 3.33Å; S535-K537 PolarHBondContact O-N 3.05Å; S535-S538 WeakPolarHBondContact O-CB 3.15Å; S535-S538 PolarHBondContact O-N 3.3Å; S535-S538 VanDerWaalsContact O-N 3.08Å; S535-W539 PolarHBondContact O-N 3.17Å; S535-W539 PolarHBondContact OG-NE1 2.67Å |
| 536 | M | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.1 | -43.3 | -179.2 | -169.7 | 62.8 | 71.4 | 0 | 0 | 112.1 | L524 A527 A528 D532 L533 W539 K540 L546 A556 M568 Y571 L572 | L524-M536 HydrophobicContact CB-CE 4.5Å; L524-M536 HydrophobicContact CD2-CE 4.33Å; L524-M536 HydrophobicContact CD2-SD 3.76Å; A527-M536 HydrophobicContact CB-CE 4.11Å; A528-M536 HydrophobicContact CB-CE 4.27Å; D532-M536 PolarHBondContact O-N 3.48Å; D532-M536 VanDerWaalsContact O-N 3.11Å; L533-M536 PolarHBondContact O-N 3.49Å; M536-W539 PolarHBondContact O-N 2.83Å; M536-K540 PolarHBondContact O-N 2.78Å; M536-L546 HydrophobicContact SD-CD1 4.31Å; M536-L546 HydrophobicContact SD-CD2 3.87Å; M536-A556 HydrophobicContact CE-CB 4.27Å; M536-M568 HydrophobicContact CB-CE 3.95Å; M536-M568 HydrophobicContact CB-SD 3.99Å; M536-M568 HydrophobicContact CE-CE 4.27Å; M536-M568 HydrophobicContact CE-SD 3.59Å; M536-M568 VanDerWaalsContact CE-SD 3.59Å; M536-M568 HydrophobicContact CG-CE 4.39Å; M536-M568 HydrophobicContact CG-SD 3.75Å; M536-M568 HydrophobicContact SD-SD 4.48Å; M536-Y571 HydrophobicContact CB-CE1 4.35Å; M536-Y571 HydrophobicContact CG-CD1 3.71Å; M536-Y571 HydrophobicContact CG-CE1 3.6Å; M536-L572 HydrophobicContact CE-CD2 3.95Å; M536-L572 HydrophobicContact CG-CD2 4.37Å; M536-L572 HydrophobicContact SD-CD2 3.85Å |
| 537 | K | 97.1 | Very high | 95.9 | Very high | 70 Ų | 70 | 38 Ų | 38 | 30% | 0.304 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.6 | -42.2 | 174.3 | -73.7 | 166.4 | -171 | 166.8 | 0 | 111.7 | I500 L533 D534 S535 K540 S541 Y571 | I500-K537 HydrophobicContact CD1-CB 3.89Å; L533-K537 WeakPolarHBondContact O-CB 3.28Å; L533-K537 WeakPolarHBondContact O-CD 3.45Å; L533-K537 WeakPolarHBondContact O-CG 3.48Å; L533-K537 PolarHBondContact O-N 2.99Å; D534-K537 IonicContact OD1-NZ 2.72Å; S535-K537 VanDerWaalsContact C-N 3.33Å; S535-K537 PolarHBondContact O-N 3.05Å; K537-K540 PolarHBondContact O-N 3.32Å; K537-S541 WeakPolarHBondContact O-CB 3.43Å; K537-S541 PolarHBondContact O-N 2.85Å; K537-S541 PolarHBondContact O-OG 3.12Å; K537-Y571 WeakPolarHBondContact CA-OH 3.28Å; K537-Y571 HydrophobicContact CG-CE2 3.76Å; K537-Y571 WeakPolarHBondContact CG-OH 3.4Å |
| 538 | S | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | 178.6 | -61.7 | 0 | 0 | 0 | 0 | 112.3 | H498 D534 S535 A542 | H498-S538 WeakPolarHBondContact CA-OG 3.45Å; D534-S538 WeakPolarHBondContact O-CB 3.47Å; D534-S538 PolarHBondContact O-N 3.21Å; D534-S538 PolarHBondContact O-OG 3.41Å; S535-S538 WeakPolarHBondContact O-CB 3.15Å; S535-S538 PolarHBondContact O-N 3.3Å; S535-S538 VanDerWaalsContact O-N 3.08Å; S538-A542 PolarHBondContact O-N 2.85Å; S538-A542 VanDerWaalsContact O-N 3.15Å |
| 539 | W | 96.4 | Very high | 95.6 | Very high | 6 Ų | 6 | 40.9 Ų | 40.9 | 2% | 0.023 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 172.2 | -70.6 | 110.2 | 0 | 0 | 0 | 111.8 | L492 I495 L513 I515 L520 N523 L524 S535 M536 A542 A544 | L492-W539 HydrophobicContact CD2-CH2 4.09Å; L492-W539 HydrophobicContact CD2-CZ3 4.13Å; I495-W539 HydrophobicContact CD1-CE3 4.15Å; I495-W539 HydrophobicContact CD1-CZ3 4.15Å; I495-W539 HydrophobicContact CG2-CD2 3.58Å; I495-W539 HydrophobicContact CG2-CE3 3.85Å; I495-W539 HydrophobicContact CG2-CG 4.11Å; I495-W539 HydrophobicContact CG2-CH2 4.01Å; I495-W539 HydrophobicContact CG2-CZ2 3.73Å; I495-W539 HydrophobicContact CG2-CZ3 4.08Å; L513-W539 HydrophobicContact CD1-CE3 4.41Å; L513-W539 HydrophobicContact CD1-CZ3 3.98Å; L513-W539 HydrophobicContact CD2-CE3 4.16Å; L513-W539 HydrophobicContact CD2-CZ3 4.29Å; I515-W539 HydrophobicContact CD1-CH2 3.71Å; I515-W539 HydrophobicContact CD1-CZ3 3.87Å; L520-W539 HydrophobicContact CD1-CD2 4.21Å; L520-W539 HydrophobicContact CD1-CE3 3.69Å; L520-W539 HydrophobicContact CD1-CZ3 3.95Å; N523-W539 HydrophobicContact CB-CH2 4.38Å; N523-W539 HydrophobicContact CB-CZ2 3.68Å; L524-W539 HydrophobicContact CD2-CB 3.92Å; L524-W539 HydrophobicContact CD2-CG 3.93Å; S535-W539 PolarHBondContact O-N 3.17Å; S535-W539 PolarHBondContact OG-NE1 2.67Å; M536-W539 PolarHBondContact O-N 2.83Å; W539-A542 WeakPolarHBondContact O-CB 3.2Å; W539-A542 PolarHBondContact O-N 2.81Å; W539-A544 HydrophobicContact CB-CB 4.05Å; W539-A544 HydrophobicContact CE3-CB 4.44Å; W539-A544 WeakPolarHBondContact O-CB 3.37Å; W539-A544 PolarHBondContact O-N 3.19Å |
| 540 | K | 96.2 | Very high | 95.5 | Very high | 75 Ų | 75 | 40.3 Ų | 40.3 | 33% | 0.326 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.2 | -44.4 | 177.9 | -178 | 63.3 | -176.8 | -166.5 | 0 | 112.3 | M536 K537 A542 E543 L546 N575 | M536-K540 PolarHBondContact O-N 2.78Å; K537-K540 PolarHBondContact O-N 3.32Å; K540-A542 PolarHBondContact O-N 3.43Å; K540-E543 WeakPolarHBondContact O-CA 3.39Å; K540-E543 PolarHBondContact O-N 2.99Å; K540-L546 HydrophobicContact CB-CD1 4.3Å; K540-L546 HydrophobicContact CD-CD1 3.89Å; K540-L546 HydrophobicContact CD-CG 4.22Å; K540-L546 HydrophobicContact CG-CD1 4.46Å; K540-N575 HydrophobicContact CD-CB 4.46Å; K540-N575 WeakPolarHBondContact CE-OD1 3.21Å; K540-N575 PolarHBondContact NZ-O 2.82Å |
| 541 | S | 95.7 | Very high | 95.2 | Very high | 35 Ų | 35 | 45.4 Ų | 45.4 | 25% | 0.245 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.2 | -23.4 | 176.3 | -67 | 0 | 0 | 0 | 0 | 112.8 | K537 E543 | K537-S541 WeakPolarHBondContact O-CB 3.43Å; K537-S541 PolarHBondContact O-N 2.85Å; K537-S541 PolarHBondContact O-OG 3.12Å; S541-E543 PolarHBondContact O-N 3.36Å |
| 542 | A | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 5.7 | 172 | 0 | 0 | 0 | 0 | 0 | 114 | L491 I495 V503 R507 L513 S538 W539 K540 A544 | L491-A542 HydrophobicContact CD1-CB 4.38Å; I495-A542 HydrophobicContact CD1-CB 3.45Å; I495-A542 VanDerWaalsContact CD1-CB 3.45Å; I495-A542 HydrophobicContact CG1-CB 4Å; V503-A542 HydrophobicContact CG1-CB 3.75Å; R507-A542 PolarHBondContact NH1-O 3.46Å; L513-A542 HydrophobicContact CD1-CB 4.48Å; S538-A542 PolarHBondContact O-N 2.85Å; S538-A542 VanDerWaalsContact O-N 3.15Å; W539-A542 WeakPolarHBondContact O-CB 3.2Å; W539-A542 PolarHBondContact O-N 2.81Å; K540-A542 PolarHBondContact O-N 3.43Å; A542-A544 VanDerWaalsContact C-N 3.33Å |
| 543 | E | 94.4 | Very high | 94.9 | Very high | 113 Ų | 113 | 44 Ų | 44 | 53% | 0.528 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 30.6 | -175 | -56.4 | 169.8 | -141.5 | 0 | 0 | 113.3 | K231 R507 K540 S541 | K231-E543 IonicContact NZ-OE1 2.88Å; R507-E543 IonicContact CZ-OE1 2.92Å; R507-E543 IonicContact CZ-OE2 2.97Å; R507-E543 VanDerWaalsContact NE-CD 3.34Å; R507-E543 IonicContact NE-OE1 3.09Å; R507-E543 PolarHBondContact NE-OE1 3.08Å; R507-E543 IonicContact NE-OE2 2.9Å; R507-E543 IonicContact NH2-OE1 3.37Å; R507-E543 PolarHBondContact NH2-OE1 2.77Å; R507-E543 VanDerWaalsContact NH2-OE1 3.09Å; R507-E543 IonicContact NH2-OE2 3.34Å; R507-E543 PolarHBondContact NH2-OE2 2.97Å; K540-E543 WeakPolarHBondContact O-CA 3.39Å; K540-E543 PolarHBondContact O-N 2.99Å; S541-E543 PolarHBondContact O-N 3.36Å |
| 544 | A | 95 | Very high | 94.8 | Very high | 6 Ų | 6 | 47.4 Ų | 47.4 | 5% | 0.05 | 24% | 0.238 | C | C | . | . | trans | -64.9 | 140.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L513 L520 W539 A542 L546 | L513-A544 HydrophobicContact CD2-CB 3.56Å; L520-A544 HydrophobicContact CD1-CB 4.08Å; L520-A544 HydrophobicContact CD2-CB 4.27Å; W539-A544 HydrophobicContact CB-CB 4.05Å; W539-A544 HydrophobicContact CE3-CB 4.44Å; W539-A544 WeakPolarHBondContact O-CB 3.37Å; W539-A544 PolarHBondContact O-N 3.19Å; A542-A544 VanDerWaalsContact C-N 3.33Å; A544-L546 HydrophobicContact CB-CD2 4.49Å; A544-L546 PolarHBondContact O-N 3.01Å | ||
| 545 | N | 94.5 | Very high | 94.9 | Very high | 93 Ų | 93 | 43.3 Ų | 43.3 | 50% | 0.497 | 22% | 0.217 | S | C | . | . | trans | -74.3 | 104.2 | 169.8 | -179.5 | 5 | 0 | 0 | 0 | 109.8 | S547 V548 | N545-S547 PolarHBondContact O-N 3.36Å; N545-S547 WeakPolarHBondContact OD1-CB 3.42Å; N545-S547 PolarHBondContact OD1-N 3.02Å; N545-V548 HydrophobicContact CB-CG2 3.89Å; N545-V548 WeakPolarHBondContact O-CG2 3.33Å; N545-V548 PolarHBondContact O-N 3.08Å | ||
| 546 | L | 96.4 | Very high | 95 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -11.2 | 179.9 | -57.6 | -171.1 | 0 | 0 | 0 | 113.7 | L524 M536 K540 A544 V548 L572 N575 V577 | L524-L546 HydrophobicContact CD1-CD2 4.18Å; L524-L546 HydrophobicContact CD2-CD2 3.71Å; M536-L546 HydrophobicContact SD-CD1 4.31Å; M536-L546 HydrophobicContact SD-CD2 3.87Å; K540-L546 HydrophobicContact CB-CD1 4.3Å; K540-L546 HydrophobicContact CD-CD1 3.89Å; K540-L546 HydrophobicContact CD-CG 4.22Å; K540-L546 HydrophobicContact CG-CD1 4.46Å; A544-L546 HydrophobicContact CB-CD2 4.49Å; A544-L546 PolarHBondContact O-N 3.01Å; L546-V548 VanDerWaalsContact C-N 3.35Å; L546-L572 HydrophobicContact CB-CD2 4.46Å; L546-L572 HydrophobicContact CD1-CD2 4.17Å; L546-N575 HydrophobicContact CD1-CB 3.94Å; L546-V577 HydrophobicContact CB-CG2 3.59Å |
| 547 | S | 95.6 | Very high | 95 | Very high | 49 Ų | 49 | 42.8 Ų | 42.8 | 34% | 0.343 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 4.9 | -179.4 | -55.2 | 0 | 0 | 0 | 0 | 113.3 | N545 A549 | N545-S547 PolarHBondContact O-N 3.36Å; N545-S547 WeakPolarHBondContact OD1-CB 3.42Å; N545-S547 PolarHBondContact OD1-N 3.02Å; S547-A549 PolarHBondContact O-N 3.02Å |
| 548 | V | 94.4 | Very high | 95 | Very high | 24 Ų | 24 | 39.6 Ų | 39.6 | 15% | 0.145 | 20% | 0.199 | C | C | . | . | trans | -62.8 | 129.2 | 177 | 177.8 | 0 | 0 | 0 | 0 | 109.7 | P517 L520 C521 N545 L546 | P517-V548 HydrophobicContact CB-CG1 4.07Å; P517-V548 WeakPolarHBondContact O-CG1 3.34Å; L520-V548 HydrophobicContact CD2-CG2 4.11Å; C521-V548 HydrophobicContact CB-CG1 3.85Å; N545-V548 HydrophobicContact CB-CG2 3.89Å; N545-V548 WeakPolarHBondContact O-CG2 3.33Å; N545-V548 PolarHBondContact O-N 3.08Å; L546-V548 VanDerWaalsContact C-N 3.35Å | ||
| 549 | A | 93.5 | Very high | 95.1 | Very high | 41 Ų | 41 | 41 Ų | 41 | 34% | 0.339 | 21% | 0.207 | S | C | . | . | trans | -97.1 | 152.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S547 R554 T555 | S547-A549 PolarHBondContact O-N 3.02Å; A549-R554 CarbonylContact C-O 3.55Å; A549-R554 VanDerWaalsContact CA-O 3.27Å; A549-R554 WeakPolarHBondContact CA-O 3.44Å; A549-T555 HydrophobicContact CB-CG2 4.23Å | ||
| 550 | D | 93 | Very high | 95.1 | Very high | 30 Ų | 30 | 40.7 Ų | 40.7 | 16% | 0.16 | 21% | 0.206 | C | C | . | . | trans | -75.3 | -176.3 | 167.8 | 72.2 | 6.5 | 0 | 0 | 0 | 112 | E552 G553 R554 | D550-E552 PolarHBondContact O-N 3.37Å; D550-E552 WeakPolarHBondContact OD1-CA 3.5Å; D550-E552 WeakPolarHBondContact OD1-CB 3.36Å; D550-E552 PolarHBondContact OD1-N 3.39Å; D550-G553 PolarHBondContact O-N 3.37Å; D550-G553 PolarHBondContact OD1-N 3.37Å; D550-G553 VanDerWaalsContact OD1-N 3.12Å; D550-R554 PolarHBondContact N-O 3.19Å; D550-R554 WeakPolarHBondContact OD1-CB 3.32Å; D550-R554 PolarHBondContact OD1-N 3.29Å; D550-R554 IonicContact OD1-NE 2.7Å; D550-R554 IonicContact OD2-CZ 3.43Å; D550-R554 VanDerWaalsContact OD2-CZ 3.23Å; D550-R554 IonicContact OD2-NE 2.71Å; D550-R554 PolarHBondContact OD2-NE 3.17Å; D550-R554 IonicContact OD2-NH2 2.77Å; D550-R554 PolarHBondContact OD2-NH2 2.96Å | ||
| 551 | W | 89.7 | Confident | 95.2 | Very high | 182 Ų | 182 | 37.1 Ų | 37.1 | 69% | 0.689 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -10.6 | 179 | 60.8 | -88.9 | 0 | 0 | 0 | 114 | H584 | W551-H584 PolarHBondContact O-CE1 3.22Å; W551-H584 PolarHBondContact O-ND1 3.02Å; W551-H584 VanDerWaalsContact O-ND1 3.14Å |
| 552 | E | 92.1 | Very high | 95.2 | Very high | 62 Ų | 62 | 37.7 Ų | 37.7 | 29% | 0.29 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 3.8 | 172.2 | -63.7 | -176.5 | 132.9 | 0 | 0 | 111.8 | D550 R554 D583 H584 | D550-E552 PolarHBondContact O-N 3.37Å; D550-E552 WeakPolarHBondContact OD1-CA 3.5Å; D550-E552 WeakPolarHBondContact OD1-CB 3.36Å; D550-E552 PolarHBondContact OD1-N 3.39Å; E552-R554 VanDerWaalsContact C-N 3.29Å; E552-R554 HydrophobicContact CB-CG 4.24Å; E552-R554 PolarHBondContact O-N 2.98Å; E552-R554 IonicContact OE2-CZ 3.52Å; E552-R554 IonicContact OE2-NE 3.17Å; E552-R554 PolarHBondContact OE2-NE 3.39Å; E552-R554 IonicContact OE2-NH1 3.88Å; E552-R554 PolarHBondContact OE2-NH1 3.3Å; E552-R554 VanDerWaalsContact OE2-NH1 3.12Å; E552-R554 IonicContact OE2-NH2 3.18Å; E552-R554 PolarHBondContact OE2-NH2 3.39Å; E552-D583 WeakPolarHBondContact O-CB 3.36Å; E552-H584 WeakPolarHBondContact O-CB 3.34Å; E552-H584 PolarHBondContact O-N 3.43Å |
| 553 | G | 93.1 | Very high | 95.2 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 11% | 0.113 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 78.5 | 8.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D550 | D550-G553 PolarHBondContact O-N 3.37Å; D550-G553 PolarHBondContact OD1-N 3.37Å; D550-G553 VanDerWaalsContact OD1-N 3.12Å |
| 554 | R | 95 | Very high | 95.3 | Very high | 88 Ų | 88 | 36.4 Ų | 36.4 | 33% | 0.332 | 20% | 0.198 | S | C | . | . | trans | -84.1 | 133.9 | -179.5 | -57.5 | 178.8 | -57.7 | -162.6 | -10 | 111 | A549 D550 E552 H558 D583 | A549-R554 CarbonylContact C-O 3.55Å; A549-R554 VanDerWaalsContact CA-O 3.27Å; A549-R554 WeakPolarHBondContact CA-O 3.44Å; D550-R554 PolarHBondContact N-O 3.19Å; D550-R554 WeakPolarHBondContact OD1-CB 3.32Å; D550-R554 PolarHBondContact OD1-N 3.29Å; D550-R554 IonicContact OD1-NE 2.7Å; D550-R554 IonicContact OD2-CZ 3.43Å; D550-R554 VanDerWaalsContact OD2-CZ 3.23Å; D550-R554 IonicContact OD2-NE 2.71Å; D550-R554 PolarHBondContact OD2-NE 3.17Å; D550-R554 IonicContact OD2-NH2 2.77Å; D550-R554 PolarHBondContact OD2-NH2 2.96Å; E552-R554 VanDerWaalsContact C-N 3.29Å; E552-R554 HydrophobicContact CB-CG 4.24Å; E552-R554 PolarHBondContact O-N 2.98Å; E552-R554 IonicContact OE2-CZ 3.52Å; E552-R554 IonicContact OE2-NE 3.17Å; E552-R554 PolarHBondContact OE2-NE 3.39Å; E552-R554 IonicContact OE2-NH1 3.88Å; E552-R554 PolarHBondContact OE2-NH1 3.3Å; E552-R554 VanDerWaalsContact OE2-NH1 3.12Å; E552-R554 IonicContact OE2-NH2 3.18Å; E552-R554 PolarHBondContact OE2-NH2 3.39Å; R554-H558 HydrophobicContact CB-CB 4.14Å; R554-D583 HydrophobicContact CG-CB 3.75Å | ||
| 555 | T | 96.5 | Very high | 95.4 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | trans | -97.5 | 170.9 | 173.6 | 66.2 | 0 | 0 | 0 | 0 | 111.5 | A549 L557 H558 V559 | A549-T555 HydrophobicContact CB-CG2 4.23Å; T555-L557 PolarHBondContact O-N 3.16Å; T555-L557 VanDerWaalsContact O-N 3.13Å; T555-L557 PolarHBondContact OG1-N 3.15Å; T555-H558 PolarHBondContact N-ND1 2.98Å; T555-H558 VanDerWaalsContact N-ND1 3.15Å; T555-H558 WeakPolarHBondContact O-CB 3.43Å; T555-H558 PolarHBondContact O-N 2.81Å; T555-H558 PolarHBondContact OG1-ND1 2.77Å; T555-V559 PolarHBondContact O-N 2.57Å | ||
| 556 | A | 97 | Very high | 95.5 | Very high | 3 Ų | 3 | 38 Ų | 38 | 3% | 0.025 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -53.4 | -32.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L524 A528 M536 V559 A560 L572 | L524-A556 HydrophobicContact CB-CB 4.02Å; A528-A556 HydrophobicContact CB-CB 4.15Å; A528-A556 WeakPolarHBondContact CB-O 3.44Å; M536-A556 HydrophobicContact CE-CB 4.27Å; A556-V559 PolarHBondContact O-N 3.12Å; A556-A560 PolarHBondContact O-N 3.46Å; A556-L572 HydrophobicContact CB-CD1 4.01Å; A556-L572 HydrophobicContact CB-CD2 4.16Å |
| 557 | L | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68 | -37.6 | 178 | -176 | 64.5 | 0 | 0 | 0 | 112.3 | T555 V559 A561 V569 L572 L573 V577 P579 A589 | T555-L557 PolarHBondContact O-N 3.16Å; T555-L557 VanDerWaalsContact O-N 3.13Å; T555-L557 PolarHBondContact OG1-N 3.15Å; L557-V559 VanDerWaalsContact C-N 3.28Å; L557-V559 PolarHBondContact O-N 3.32Å; L557-A561 WeakPolarHBondContact O-CB 3.4Å; L557-A561 PolarHBondContact O-N 2.94Å; L557-V569 HydrophobicContact CD1-CB 4.42Å; L557-V569 HydrophobicContact CD1-CG1 4.13Å; L557-V569 HydrophobicContact CD1-CG2 4.3Å; L557-L572 HydrophobicContact CB-CD1 4.2Å; L557-L572 HydrophobicContact CD1-CB 4.05Å; L557-L572 HydrophobicContact CD1-CD1 4.31Å; L557-L573 HydrophobicContact CD1-CD2 4.27Å; L557-L573 HydrophobicContact CD1-CG 4.18Å; L557-L573 HydrophobicContact CD2-CD2 3.75Å; L557-V577 HydrophobicContact CB-CG1 3.75Å; L557-V577 HydrophobicContact CD2-CG1 4.14Å; L557-P579 HydrophobicContact CD2-CB 4.28Å; L557-A589 HydrophobicContact CB-CB 4.39Å; L557-A589 HydrophobicContact CD2-CB 3.93Å; L557-A589 HydrophobicContact CG-CB 3.64Å |
| 558 | H | 97.7 | Very high | 95.7 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.7 | -41.7 | 173.4 | -68.9 | 80.7 | 0 | 0 | 0 | 111.1 | R554 T555 S562 S581 H587 | R554-H558 HydrophobicContact CB-CB 4.14Å; T555-H558 PolarHBondContact N-ND1 2.98Å; T555-H558 VanDerWaalsContact N-ND1 3.15Å; T555-H558 WeakPolarHBondContact O-CB 3.43Å; T555-H558 PolarHBondContact O-N 2.81Å; T555-H558 PolarHBondContact OG1-ND1 2.77Å; H558-S562 VanDerWaalsContact O-CB 3.28Å; H558-S562 WeakPolarHBondContact O-CB 3.4Å; H558-S562 PolarHBondContact O-N 3.15Å; H558-S581 PolarHBondContact CE1-O 3.17Å; H558-S581 PolarHBondContact NE2-O 3.48Å; H558-S581 VanDerWaalsContact NE2-O 3.12Å; H558-H587 PolarHBondContact NE2-O 2.98Å; H558-H587 VanDerWaalsContact NE2-O 3.15Å |
| 559 | V | 96.8 | Very high | 95.8 | Very high | 29 Ų | 29 | 40.2 Ų | 40.2 | 18% | 0.176 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.4 | -49.6 | -180 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | A525 A528 A529 T555 A556 L557 A561 S562 V563 | A525-V559 HydrophobicContact CB-CG2 4.05Å; A528-V559 HydrophobicContact CB-CB 4.27Å; A528-V559 HydrophobicContact CB-CG1 4.34Å; A529-V559 HydrophobicContact CB-CG1 3.84Å; T555-V559 PolarHBondContact O-N 2.57Å; A556-V559 PolarHBondContact O-N 3.12Å; L557-V559 VanDerWaalsContact C-N 3.28Å; L557-V559 PolarHBondContact O-N 3.32Å; V559-A561 VanDerWaalsContact C-N 3.3Å; V559-A561 PolarHBondContact O-N 3.15Å; V559-S562 PolarHBondContact O-N 3.28Å; V559-V563 HydrophobicContact CG1-CG2 4.49Å; V559-V563 WeakPolarHBondContact O-CG2 3.47Å; V559-V563 PolarHBondContact O-N 3.4Å |
| 560 | A | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.1 | -42.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | A528 A556 V563 G564 N565 M568 V569 L572 | A528-A560 HydrophobicContact CB-CB 4.18Å; A556-A560 PolarHBondContact O-N 3.46Å; A560-V563 PolarHBondContact O-N 3.05Å; A560-G564 PolarHBondContact O-N 3.12Å; A560-N565 PolarHBondContact O-N 3.14Å; A560-M568 HydrophobicContact CB-CB 4.13Å; A560-M568 HydrophobicContact CB-CG 3.73Å; A560-V569 HydrophobicContact CB-CG2 3.77Å; A560-L572 HydrophobicContact CB-CD1 4.11Å |
| 561 | A | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66 | -39.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L557 V559 V563 V569 A589 A593 H598 I605 | L557-A561 WeakPolarHBondContact O-CB 3.4Å; L557-A561 PolarHBondContact O-N 2.94Å; V559-A561 VanDerWaalsContact C-N 3.3Å; V559-A561 PolarHBondContact O-N 3.15Å; A561-V563 VanDerWaalsContact C-N 3.35Å; A561-V569 HydrophobicContact CB-CG2 4.44Å; A561-A589 HydrophobicContact CB-CB 4.16Å; A561-A589 WeakPolarHBondContact CB-O 3.34Å; A561-A593 HydrophobicContact CB-CB 4.1Å; A561-A593 WeakPolarHBondContact O-CA 3.46Å; A561-H598 PolarHBondContact O-CD2 3.1Å; A561-I605 HydrophobicContact CB-CD1 4.01Å |
| 562 | S | 95.9 | Very high | 96.6 | Very high | 47 Ų | 47 | 32.4 Ų | 32.4 | 33% | 0.329 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -69.8 | -28.6 | 179.1 | -175.6 | 0 | 0 | 0 | 0 | 113.7 | H558 V559 S596 H598 | H558-S562 VanDerWaalsContact O-CB 3.28Å; H558-S562 WeakPolarHBondContact O-CB 3.4Å; H558-S562 PolarHBondContact O-N 3.15Å; V559-S562 PolarHBondContact O-N 3.28Å; S562-S596 WeakPolarHBondContact O-CB 3.36Å; S562-S596 PolarHBondContact O-OG 3.36Å; S562-S596 VanDerWaalsContact O-OG 3.12Å; S562-H598 PolarHBondContact O-CD2 3.36Å; S562-H598 PolarHBondContact O-NE2 3.31Å |
| 563 | V | 96.2 | Very high | 96.8 | Very high | 67 Ų | 67 | 29.7 Ų | 29.7 | 41% | 0.406 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -91.6 | -23.5 | -179.8 | 177.8 | 0 | 0 | 0 | 0 | 112.1 | A529 V559 A560 A561 H598 | A529-V563 HydrophobicContact CB-CG2 4.4Å; V559-V563 HydrophobicContact CG1-CG2 4.49Å; V559-V563 WeakPolarHBondContact O-CG2 3.47Å; V559-V563 PolarHBondContact O-N 3.4Å; A560-V563 PolarHBondContact O-N 3.05Å; A561-V563 VanDerWaalsContact C-N 3.35Å; V563-H598 VanDerWaalsContact C-NE2 3.28Å; V563-H598 PolarHBondContact O-CE1 3.23Å; V563-H598 VanDerWaalsContact O-CE1 3.28Å; V563-H598 PolarHBondContact O-NE2 2.75Å |
| 564 | G | 96.5 | Very high | 97 | Very high | 19 Ų | 19 | 34.6 Ų | 34.6 | 20% | 0.196 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | 23.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A560 E566 H598 | A560-G564 PolarHBondContact O-N 3.12Å; G564-E566 PolarHBondContact O-N 2.91Å; G564-E566 VanDerWaalsContact O-N 3.13Å; G564-H598 WeakPolarHBondContact CA-ND1 3.31Å; G564-H598 PolarHBondContact N-CD2 3.07Å |
| 565 | N | 96.8 | Very high | 97 | Very high | 29 Ų | 29 | 32.4 Ų | 32.4 | 16% | 0.155 | 18% | 0.178 | C | C | . | . | trans | -84.7 | 84.5 | -177.9 | -68.6 | -23.3 | 0 | 0 | 0 | 111 | A528 A529 N531 A560 E567 M568 V569 | A528-N565 PolarHBondContact O-ND2 2.81Å; A529-N565 PolarHBondContact O-ND2 3.08Å; N531-N565 HydrophobicContact CB-CB 4.17Å; N531-N565 PolarHBondContact N-ND2 3.15Å; A560-N565 PolarHBondContact O-N 3.14Å; N565-E567 VanDerWaalsContact C-N 3.35Å; N565-E567 PolarHBondContact O-N 3.37Å; N565-M568 HydrophobicContact CB-CB 3.99Å; N565-M568 PolarHBondContact O-N 3.43Å; N565-V569 WeakPolarHBondContact O-CG2 2.94Å; N565-V569 PolarHBondContact O-N 3.28Å | ||
| 566 | E | 96.9 | Very high | 96.9 | Very high | 105 Ų | 105 | 34.9 Ų | 34.9 | 49% | 0.491 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -57.5 | -42.1 | -174.2 | -66.5 | -176.7 | -156.6 | 0 | 0 | 113.4 | G564 V569 S570 G600 L604 | G564-E566 PolarHBondContact O-N 2.91Å; G564-E566 VanDerWaalsContact O-N 3.13Å; E566-V569 PolarHBondContact O-N 3.34Å; E566-S570 PolarHBondContact O-N 3.03Å; E566-G600 WeakPolarHBondContact OE1-CA 3.35Å; E566-L604 HydrophobicContact CB-CD1 3.9Å; E566-L604 HydrophobicContact CG-CD1 4.44Å; E566-L604 WeakPolarHBondContact O-CD1 3.39Å |
| 567 | E | 96.8 | Very high | 96.8 | Very high | 123 Ų | 123 | 34.8 Ų | 34.8 | 58% | 0.575 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -66.1 | -44.4 | -179.3 | -161 | -176.8 | 177.4 | 0 | 0 | 111.7 | L533 N565 S570 Y571 | L533-E567 HydrophobicContact CD1-CB 4.09Å; L533-E567 HydrophobicContact CD1-CG 3.45Å; L533-E567 VanDerWaalsContact CD1-CG 3.45Å; L533-E567 WeakPolarHBondContact CD1-OE1 3.38Å; L533-E567 VanDerWaalsContact CD1-OE2 3.31Å; L533-E567 WeakPolarHBondContact CD1-OE2 3.38Å; N565-E567 VanDerWaalsContact C-N 3.35Å; N565-E567 PolarHBondContact O-N 3.37Å; E567-S570 PolarHBondContact O-N 2.98Å; E567-Y571 PolarHBondContact O-N 3.13Å |
| 568 | M | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.6 | -40.6 | 173.3 | -176.1 | 64.6 | 64.4 | 0 | 0 | 112.5 | A528 N531 L533 M536 A560 N565 Y571 L572 | A528-M568 HydrophobicContact CB-CG 4.23Å; N531-M568 WeakPolarHBondContact OD1-CB 3.45Å; N531-M568 PolarHBondContact OD1-N 2.7Å; L533-M568 HydrophobicContact CD2-CE 3.78Å; L533-M568 HydrophobicContact CD2-SD 4.06Å; L533-M568 HydrophobicContact CG-CE 4.02Å; M536-M568 HydrophobicContact CB-CE 3.95Å; M536-M568 HydrophobicContact CB-SD 3.99Å; M536-M568 HydrophobicContact CE-CE 4.27Å; M536-M568 HydrophobicContact CE-SD 3.59Å; M536-M568 VanDerWaalsContact CE-SD 3.59Å; M536-M568 HydrophobicContact CG-CE 4.39Å; M536-M568 HydrophobicContact CG-SD 3.75Å; M536-M568 HydrophobicContact SD-SD 4.48Å; A560-M568 HydrophobicContact CB-CB 4.13Å; A560-M568 HydrophobicContact CB-CG 3.73Å; N565-M568 HydrophobicContact CB-CB 3.99Å; N565-M568 PolarHBondContact O-N 3.43Å; M568-Y571 PolarHBondContact O-N 2.94Å; M568-L572 HydrophobicContact CG-CD1 3.84Å; M568-L572 HydrophobicContact CG-CG 4.28Å; M568-L572 WeakPolarHBondContact O-CB 3.18Å; M568-L572 VanDerWaalsContact O-CG 3.29Å; M568-L572 WeakPolarHBondContact O-CG 3.37Å; M568-L572 PolarHBondContact O-N 2.89Å; M568-L572 HydrophobicContact SD-CD1 4.22Å; M568-L572 HydrophobicContact SD-CG 4.15Å |
| 569 | V | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.4 | -48.7 | 175.5 | 166.4 | 0 | 0 | 0 | 0 | 110.4 | L557 A560 A561 N565 E566 Y571 L572 L573 C601 L604 I605 | L557-V569 HydrophobicContact CD1-CB 4.42Å; L557-V569 HydrophobicContact CD1-CG1 4.13Å; L557-V569 HydrophobicContact CD1-CG2 4.3Å; A560-V569 HydrophobicContact CB-CG2 3.77Å; A561-V569 HydrophobicContact CB-CG2 4.44Å; N565-V569 WeakPolarHBondContact O-CG2 2.94Å; N565-V569 PolarHBondContact O-N 3.28Å; E566-V569 PolarHBondContact O-N 3.34Å; V569-Y571 PolarHBondContact O-N 2.98Å; V569-L572 PolarHBondContact O-N 3.21Å; V569-L573 HydrophobicContact CG1-CD1 3.82Å; V569-L573 HydrophobicContact CG1-CG 4.49Å; V569-L573 VanDerWaalsContact O-CG 3.23Å; V569-L573 WeakPolarHBondContact O-CG 3.29Å; V569-L573 PolarHBondContact O-N 3.39Å; V569-L573 VanDerWaalsContact O-N 3.1Å; V569-C601 HydrophobicContact CG2-CB 4.23Å; V569-L604 HydrophobicContact CG1-CB 4.25Å; V569-I605 HydrophobicContact CG1-CD1 4.12Å; V569-I605 HydrophobicContact CG1-CG1 3.67Å |
| 570 | S | 97.4 | Very high | 96.5 | Very high | 44 Ų | 44 | 40.3 Ų | 40.3 | 31% | 0.308 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.1 | -50 | 175.6 | -164.7 | 0 | 0 | 0 | 0 | 110.9 | E566 E567 L572 L573 D574 | E566-S570 PolarHBondContact O-N 3.03Å; E567-S570 PolarHBondContact O-N 2.98Å; S570-L572 PolarHBondContact O-N 3.38Å; S570-L573 PolarHBondContact O-N 2.93Å; S570-D574 WeakPolarHBondContact O-CB 3.46Å; S570-D574 PolarHBondContact O-N 3.48Å; S570-D574 PolarHBondContact OG-OD2 3.4Å |
| 571 | Y | 97.6 | Very high | 96.3 | Very high | 45 Ų | 45 | 42.7 Ų | 42.7 | 18% | 0.176 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.3 | -44.1 | -178.4 | -175.2 | -91.1 | 0 | 0 | 0 | 112.9 | L533 M536 K537 E567 M568 V569 N575 | L533-Y571 HydrophobicContact CD2-CD1 4.46Å; L533-Y571 HydrophobicContact CD2-CD2 4.42Å; L533-Y571 HydrophobicContact CD2-CG 3.97Å; M536-Y571 HydrophobicContact CB-CE1 4.35Å; M536-Y571 HydrophobicContact CG-CD1 3.71Å; M536-Y571 HydrophobicContact CG-CE1 3.6Å; K537-Y571 WeakPolarHBondContact CA-OH 3.28Å; K537-Y571 HydrophobicContact CG-CE2 3.76Å; K537-Y571 WeakPolarHBondContact CG-OH 3.4Å; E567-Y571 PolarHBondContact O-N 3.13Å; M568-Y571 PolarHBondContact O-N 2.94Å; V569-Y571 PolarHBondContact O-N 2.98Å; Y571-N575 WeakPolarHBondContact CE1-ND2 3.49Å; Y571-N575 WeakPolarHBondContact CE2-ND2 3.17Å; Y571-N575 VanDerWaalsContact CZ-ND2 3.29Å; Y571-N575 WeakPolarHBondContact O-CB 3.49Å; Y571-N575 PolarHBondContact O-N 3.46Å; Y571-N575 VanDerWaalsContact O-N 3.08Å; Y571-N575 PolarHBondContact O-ND2 3.34Å |
| 572 | L | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.4 | -40.6 | -180 | -73.1 | 170.1 | 0 | 0 | 0 | 112.2 | M536 L546 A556 L557 A560 M568 V569 S570 N575 G576 V577 | M536-L572 HydrophobicContact CE-CD2 3.95Å; M536-L572 HydrophobicContact CG-CD2 4.37Å; M536-L572 HydrophobicContact SD-CD2 3.85Å; L546-L572 HydrophobicContact CB-CD2 4.46Å; L546-L572 HydrophobicContact CD1-CD2 4.17Å; A556-L572 HydrophobicContact CB-CD1 4.01Å; A556-L572 HydrophobicContact CB-CD2 4.16Å; L557-L572 HydrophobicContact CB-CD1 4.2Å; L557-L572 HydrophobicContact CD1-CB 4.05Å; L557-L572 HydrophobicContact CD1-CD1 4.31Å; A560-L572 HydrophobicContact CB-CD1 4.11Å; M568-L572 HydrophobicContact CG-CD1 3.84Å; M568-L572 HydrophobicContact CG-CG 4.28Å; M568-L572 WeakPolarHBondContact O-CB 3.18Å; M568-L572 VanDerWaalsContact O-CG 3.29Å; M568-L572 WeakPolarHBondContact O-CG 3.37Å; M568-L572 PolarHBondContact O-N 2.89Å; M568-L572 HydrophobicContact SD-CD1 4.22Å; M568-L572 HydrophobicContact SD-CG 4.15Å; V569-L572 PolarHBondContact O-N 3.21Å; S570-L572 PolarHBondContact O-N 3.38Å; L572-N575 CarbonylContact O-C 3.57Å; L572-N575 PolarHBondContact O-N 2.87Å; L572-G576 PolarHBondContact O-N 3.11Å; L572-V577 HydrophobicContact CB-CB 4.32Å; L572-V577 HydrophobicContact CB-CG2 4.25Å; L572-V577 HydrophobicContact CD2-CG2 4.06Å; L572-V577 WeakPolarHBondContact O-CB 3.36Å; L572-V577 WeakPolarHBondContact O-CG2 3.36Å; L572-V577 PolarHBondContact O-N 3.38Å |
| 573 | L | 97 | Very high | 96.2 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.2 | -47.8 | 176 | -68.5 | 170.4 | 0 | 0 | 0 | 111 | L557 V569 S570 N575 G576 P579 I605 F608 | L557-L573 HydrophobicContact CD1-CD2 4.27Å; L557-L573 HydrophobicContact CD1-CG 4.18Å; L557-L573 HydrophobicContact CD2-CD2 3.75Å; V569-L573 HydrophobicContact CG1-CD1 3.82Å; V569-L573 HydrophobicContact CG1-CG 4.49Å; V569-L573 VanDerWaalsContact O-CG 3.23Å; V569-L573 WeakPolarHBondContact O-CG 3.29Å; V569-L573 PolarHBondContact O-N 3.39Å; V569-L573 VanDerWaalsContact O-N 3.1Å; S570-L573 PolarHBondContact O-N 2.93Å; L573-N575 PolarHBondContact O-N 3.12Å; L573-N575 VanDerWaalsContact O-N 3.16Å; L573-G576 PolarHBondContact O-N 2.92Å; L573-P579 HydrophobicContact CD2-CB 3.98Å; L573-P579 HydrophobicContact CD2-CG 4.21Å; L573-I605 HydrophobicContact CD1-CG1 4.12Å; L573-F608 HydrophobicContact CB-CD1 4.42Å; L573-F608 HydrophobicContact CB-CD2 3.72Å; L573-F608 HydrophobicContact CB-CE2 3.83Å; L573-F608 HydrophobicContact CB-CG 4.02Å; L573-F608 HydrophobicContact CB-CZ 4.22Å; L573-F608 HydrophobicContact CD1-CB 3.93Å; L573-F608 HydrophobicContact CD1-CD2 4.47Å; L573-F608 HydrophobicContact CD1-CG 4.15Å; L573-F608 HydrophobicContact CD2-CB 4.48Å; L573-F608 HydrophobicContact CD2-CD1 3.87Å; L573-F608 HydrophobicContact CD2-CE1 4.21Å; L573-F608 HydrophobicContact CD2-CG 4.08Å; L573-F608 HydrophobicContact CG-CD2 4.49Å; L573-F608 HydrophobicContact CG-CG 4.31Å; L573-F608 WeakPolarHBondContact O-CE2 3.41Å; L573-F608 WeakPolarHBondContact O-CZ 3.15Å |
| 574 | D | 96 | Very high | 96.1 | Very high | 114 Ų | 114 | 48.5 Ų | 48.5 | 61% | 0.61 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.4 | -24.7 | 177.5 | -66.1 | -24.6 | 0 | 0 | 0 | 112.4 | S570 | S570-D574 WeakPolarHBondContact O-CB 3.46Å; S570-D574 PolarHBondContact O-N 3.48Å; S570-D574 PolarHBondContact OG-OD2 3.4Å |
| 575 | N | 95.8 | Very high | 95.9 | Very high | 43 Ų | 43 | 52.2 Ų | 52.2 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 13 | 177.1 | -78.3 | -85 | 0 | 0 | 0 | 114.6 | K540 L546 Y571 L572 L573 | K540-N575 HydrophobicContact CD-CB 4.46Å; K540-N575 WeakPolarHBondContact CE-OD1 3.21Å; K540-N575 PolarHBondContact NZ-O 2.82Å; L546-N575 HydrophobicContact CD1-CB 3.94Å; Y571-N575 WeakPolarHBondContact CE1-ND2 3.49Å; Y571-N575 WeakPolarHBondContact CE2-ND2 3.17Å; Y571-N575 VanDerWaalsContact CZ-ND2 3.29Å; Y571-N575 WeakPolarHBondContact O-CB 3.49Å; Y571-N575 PolarHBondContact O-N 3.46Å; Y571-N575 VanDerWaalsContact O-N 3.08Å; Y571-N575 PolarHBondContact O-ND2 3.34Å; L572-N575 CarbonylContact O-C 3.57Å; L572-N575 PolarHBondContact O-N 2.87Å; L573-N575 PolarHBondContact O-N 3.12Å; L573-N575 VanDerWaalsContact O-N 3.16Å |
| 576 | G | 94.2 | Very high | 95.8 | Very high | 56 Ų | 56 | 53 Ų | 53 | 58% | 0.577 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | 15.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L572 L573 S578 | L572-G576 PolarHBondContact O-N 3.11Å; L573-G576 PolarHBondContact O-N 2.92Å; G576-S578 PolarHBondContact O-N 3.36Å |
| 577 | V | 95.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | trans | -74.8 | 117.5 | 173.7 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | L546 L557 L572 | L546-V577 HydrophobicContact CB-CG2 3.59Å; L557-V577 HydrophobicContact CB-CG1 3.75Å; L557-V577 HydrophobicContact CD2-CG1 4.14Å; L572-V577 HydrophobicContact CB-CB 4.32Å; L572-V577 HydrophobicContact CB-CG2 4.25Å; L572-V577 HydrophobicContact CD2-CG2 4.06Å; L572-V577 WeakPolarHBondContact O-CB 3.36Å; L572-V577 WeakPolarHBondContact O-CG2 3.36Å; L572-V577 PolarHBondContact O-N 3.38Å | ||
| 578 | S | 95.6 | Very high | 95.8 | Very high | 43 Ų | 43 | 45.7 Ų | 45.7 | 30% | 0.301 | 27% | 0.272 | S | S | . | . | trans | -63.3 | 126.9 | -175.8 | 179 | 0 | 0 | 0 | 0 | 111.8 | G576 F580 | G576-S578 PolarHBondContact O-N 3.36Å; S578-F580 PolarHBondContact O-N 3.01Å; S578-F580 PolarHBondContact OG-N 3.07Å; S578-F580 VanDerWaalsContact OG-N 3.17Å | ||
| 579 | P | 94.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -12.6 | 170.9 | 32.1 | -35.6 | 0 | 0 | 0 | 113 | L557 L573 I605 F608 M609 | L557-P579 HydrophobicContact CD2-CB 4.28Å; L573-P579 HydrophobicContact CD2-CB 3.98Å; L573-P579 HydrophobicContact CD2-CG 4.21Å; P579-I605 HydrophobicContact CB-CG2 3.8Å; P579-F608 HydrophobicContact CG-CD1 4.1Å; P579-F608 HydrophobicContact CG-CE1 4.43Å; P579-M609 HydrophobicContact CB-CG 3.96Å; P579-M609 HydrophobicContact CB-SD 4.3Å; P579-M609 HydrophobicContact CG-CG 3.61Å |
| 580 | F | 94.8 | Very high | 95.7 | Very high | 105 Ų | 105 | 46.8 Ų | 46.8 | 46% | 0.461 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -14.3 | -176.6 | -55.1 | -78.3 | 0 | 0 | 0 | 113.6 | S578 T582 M609 | S578-F580 PolarHBondContact O-N 3.01Å; S578-F580 PolarHBondContact OG-N 3.07Å; S578-F580 VanDerWaalsContact OG-N 3.17Å; F580-T582 PolarHBondContact O-N 3.35Å; F580-M609 HydrophobicContact CD1-CE 3.6Å; F580-M609 HydrophobicContact CE1-CB 4.46Å; F580-M609 HydrophobicContact CE1-CE 3.32Å; F580-M609 HydrophobicContact CE1-CG 4.12Å; F580-M609 HydrophobicContact CZ-CB 4.25Å; F580-M609 HydrophobicContact CZ-CE 4.2Å; F580-M609 HydrophobicContact CZ-CG 4.06Å |
| 581 | S | 93.4 | Very high | 95.6 | Very high | 49 Ų | 49 | 47.4 Ų | 47.4 | 34% | 0.343 | 28% | 0.277 | S | S | . | . | trans | -62.1 | 130.9 | 175.7 | -60.7 | 0 | 0 | 0 | 0 | 109.8 | H558 | H558-S581 PolarHBondContact CE1-O 3.17Å; H558-S581 PolarHBondContact NE2-O 3.48Å; H558-S581 VanDerWaalsContact NE2-O 3.12Å | ||
| 582 | T | 96.1 | Very high | 95.5 | Very high | 81 Ų | 81 | 47.1 Ų | 47.1 | 50% | 0.497 | 28% | 0.277 | S | S | . | . | B | Isolated β-bridge | trans | -106.4 | 143 | 176.5 | 57.5 | 0 | 0 | 0 | 0 | 110.7 | F580 H587 | F580-T582 PolarHBondContact O-N 3.35Å; T582-H587 WeakPolarHBondContact CA-O 3.33Å |
| 583 | D | 94.9 | Very high | 95.5 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.043 | 28% | 0.277 | C | S | . | . | trans | -67.5 | 173.7 | 166.4 | 73.1 | 17.2 | 0 | 0 | 0 | 111.8 | E552 R554 T585 G586 H587 K592 | E552-D583 WeakPolarHBondContact O-CB 3.36Å; R554-D583 HydrophobicContact CG-CB 3.75Å; D583-T585 PolarHBondContact O-N 3.26Å; D583-T585 VanDerWaalsContact O-N 3.09Å; D583-T585 VanDerWaalsContact OD1-CA 3.28Å; D583-T585 WeakPolarHBondContact OD1-CA 3.26Å; D583-T585 WeakPolarHBondContact OD1-CB 3.19Å; D583-T585 PolarHBondContact OD1-N 2.93Å; D583-T585 PolarHBondContact OD1-OG1 3.09Å; D583-T585 PolarHBondContact OD2-OG1 3.4Å; D583-G586 PolarHBondContact O-N 3.42Å; D583-G586 PolarHBondContact OD1-N 3.42Å; D583-G586 VanDerWaalsContact OD1-N 3.1Å; D583-H587 PolarHBondContact N-O 3.35Å; D583-H587 PolarHBondContact OD1-N 2.91Å; D583-K592 WeakPolarHBondContact OD2-CE 3.23Å; D583-K592 IonicContact OD2-NZ 3.05Å; D583-K592 PolarHBondContact OD2-NZ 3.47Å | ||
| 584 | H | 94.3 | Very high | 95.5 | Very high | 148 Ų | 148 | 49.8 Ų | 49.8 | 69% | 0.685 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -12.3 | 179.2 | -65.8 | 167.8 | 0 | 0 | 0 | 113.8 | W551 E552 | W551-H584 PolarHBondContact O-CE1 3.22Å; W551-H584 PolarHBondContact O-ND1 3.02Å; W551-H584 VanDerWaalsContact O-ND1 3.14Å; E552-H584 WeakPolarHBondContact O-CB 3.34Å; E552-H584 PolarHBondContact O-N 3.43Å |
| 585 | T | 93.5 | Very high | 95.4 | Very high | 96 Ų | 96 | 49.7 Ų | 49.7 | 59% | 0.589 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 2.5 | 172.9 | 66.4 | 0 | 0 | 0 | 0 | 112.8 | D583 H587 | D583-T585 PolarHBondContact O-N 3.26Å; D583-T585 VanDerWaalsContact O-N 3.09Å; D583-T585 VanDerWaalsContact OD1-CA 3.28Å; D583-T585 WeakPolarHBondContact OD1-CA 3.26Å; D583-T585 WeakPolarHBondContact OD1-CB 3.19Å; D583-T585 PolarHBondContact OD1-N 2.93Å; D583-T585 PolarHBondContact OD1-OG1 3.09Å; D583-T585 PolarHBondContact OD2-OG1 3.4Å; T585-H587 PolarHBondContact OG1-ND1 3.28Å |
| 586 | G | 94.4 | Very high | 95.4 | Very high | 45 Ų | 45 | 49.9 Ų | 49.9 | 46% | 0.464 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 81.3 | 10.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D583 | D583-G586 PolarHBondContact O-N 3.42Å; D583-G586 PolarHBondContact OD1-N 3.42Å; D583-G586 VanDerWaalsContact OD1-N 3.1Å |
| 587 | H | 95.7 | Very high | 95.4 | Very high | 63 Ų | 63 | 57.4 Ų | 57.4 | 29% | 0.292 | 31% | 0.305 | S | S | . | . | trans | -93.6 | 128.1 | 179.7 | -64.4 | 110.5 | 0 | 0 | 0 | 110.9 | H558 T582 D583 T585 D591 K592 | H558-H587 PolarHBondContact NE2-O 2.98Å; H558-H587 VanDerWaalsContact NE2-O 3.15Å; T582-H587 WeakPolarHBondContact CA-O 3.33Å; D583-H587 PolarHBondContact N-O 3.35Å; D583-H587 PolarHBondContact OD1-N 2.91Å; T585-H587 PolarHBondContact OG1-ND1 3.28Å; H587-D591 HydrophobicContact CB-CB 4.03Å; H587-K592 HydrophobicContact CB-CD 4.19Å | ||
| 588 | S | 96.7 | Very high | 95.5 | Very high | 13 Ų | 13 | 60.1 Ų | 60.1 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -78.3 | 171.4 | 167 | 68.8 | 0 | 0 | 0 | 0 | 111.8 | L590 D591 K592 | S588-L590 PolarHBondContact O-N 2.8Å; S588-L590 PolarHBondContact OG-N 3.38Å; S588-D591 WeakPolarHBondContact CB-OD2 3.21Å; S588-D591 PolarHBondContact N-OD2 3.23Å; S588-D591 PolarHBondContact O-N 2.64Å; S588-D591 VanDerWaalsContact O-N 3.12Å; S588-D591 VanDerWaalsContact OG-CG 3.24Å; S588-D591 PolarHBondContact OG-N 3.43Å; S588-D591 PolarHBondContact OG-OD2 3.05Å; S588-K592 PolarHBondContact O-N 3.21Å |
| 589 | A | 96.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.008 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.5 | -34.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L557 A561 K592 A593 I605 | L557-A589 HydrophobicContact CB-CB 4.39Å; L557-A589 HydrophobicContact CD2-CB 3.93Å; L557-A589 HydrophobicContact CG-CB 3.64Å; A561-A589 HydrophobicContact CB-CB 4.16Å; A561-A589 WeakPolarHBondContact CB-O 3.34Å; A589-K592 PolarHBondContact O-N 3.01Å; A589-A593 PolarHBondContact O-N 2.96Å; A589-I605 HydrophobicContact CB-CD1 4.22Å |
| 590 | L | 96.9 | Very high | 95.5 | Very high | 22 Ų | 22 | 64.5 Ų | 64.5 | 12% | 0.115 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 174.1 | 178.2 | 57.9 | 0 | 0 | 0 | 111 | S588 K592 A593 L594 A602 I605 R606 M609 | S588-L590 PolarHBondContact O-N 2.8Å; S588-L590 PolarHBondContact OG-N 3.38Å; L590-K592 VanDerWaalsContact C-N 3.31Å; L590-K592 PolarHBondContact O-N 2.98Å; L590-A593 PolarHBondContact O-N 3.32Å; L590-L594 HydrophobicContact CD1-CD1 4.13Å; L590-L594 HydrophobicContact CD1-CG 4.21Å; L590-L594 HydrophobicContact CG-CD1 4.04Å; L590-L594 WeakPolarHBondContact O-CG 3.33Å; L590-L594 PolarHBondContact O-N 3.38Å; L590-A602 HydrophobicContact CD1-CB 3.81Å; L590-I605 HydrophobicContact CB-CG2 3.86Å; L590-I605 HydrophobicContact CD1-CB 4.36Å; L590-I605 HydrophobicContact CD1-CG2 4.37Å; L590-R606 HydrophobicContact CD1-CG 3.94Å; L590-R606 HydrophobicContact CD2-CG 3.92Å; L590-M609 HydrophobicContact CD2-SD 4.03Å |
| 591 | D | 96.8 | Very high | 95.5 | Very high | 57 Ų | 57 | 59.5 Ų | 59.5 | 31% | 0.305 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 178.6 | -58.2 | -49.8 | 0 | 0 | 0 | 111 | H587 S588 L594 L595 | H587-D591 HydrophobicContact CB-CB 4.03Å; S588-D591 WeakPolarHBondContact CB-OD2 3.21Å; S588-D591 PolarHBondContact N-OD2 3.23Å; S588-D591 PolarHBondContact O-N 2.64Å; S588-D591 VanDerWaalsContact O-N 3.12Å; S588-D591 VanDerWaalsContact OG-CG 3.24Å; S588-D591 PolarHBondContact OG-N 3.43Å; S588-D591 PolarHBondContact OG-OD2 3.05Å; D591-L594 PolarHBondContact O-N 2.86Å; D591-L595 WeakPolarHBondContact O-CB 3.2Å; D591-L595 WeakPolarHBondContact O-CG 3.39Å; D591-L595 PolarHBondContact O-N 3.29Å |
| 592 | K | 95.8 | Very high | 95.7 | Very high | 38 Ų | 38 | 57.2 Ų | 57.2 | 17% | 0.165 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 174.2 | -63.1 | -56.7 | -174.6 | -167.1 | 0 | 112.4 | D583 H587 S588 A589 L590 L594 L595 S596 | D583-K592 WeakPolarHBondContact OD2-CE 3.23Å; D583-K592 IonicContact OD2-NZ 3.05Å; D583-K592 PolarHBondContact OD2-NZ 3.47Å; H587-K592 HydrophobicContact CB-CD 4.19Å; S588-K592 PolarHBondContact O-N 3.21Å; A589-K592 PolarHBondContact O-N 3.01Å; L590-K592 VanDerWaalsContact C-N 3.31Å; L590-K592 PolarHBondContact O-N 2.98Å; K592-L594 VanDerWaalsContact C-N 3.32Å; K592-L594 PolarHBondContact O-N 3.38Å; K592-L595 PolarHBondContact O-N 3.45Å; K592-S596 WeakPolarHBondContact O-CB 3.3Å; K592-S596 PolarHBondContact O-N 3.35Å; K592-S596 PolarHBondContact O-OG 3.46Å |
| 593 | A | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A561 A589 L590 R597 H598 C601 A602 I605 | A561-A593 HydrophobicContact CB-CB 4.1Å; A561-A593 WeakPolarHBondContact O-CA 3.46Å; A589-A593 PolarHBondContact O-N 2.96Å; L590-A593 PolarHBondContact O-N 3.32Å; A593-R597 PolarHBondContact O-N 3.04Å; A593-R597 VanDerWaalsContact O-N 3.12Å; A593-H598 PolarHBondContact O-N 3.48Å; A593-C601 HydrophobicContact CB-CB 3.98Å; A593-A602 HydrophobicContact CB-CB 4Å; A593-I605 HydrophobicContact CB-CD1 4.5Å |
| 594 | L | 96.5 | Very high | 95.8 | Very high | 61 Ų | 61 | 61.4 Ų | 61.4 | 32% | 0.319 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.5 | -43.9 | 179.6 | -66.8 | 172.5 | 0 | 0 | 0 | 112.3 | L590 D591 K592 S596 R597 A602 | L590-L594 HydrophobicContact CD1-CD1 4.13Å; L590-L594 HydrophobicContact CD1-CG 4.21Å; L590-L594 HydrophobicContact CG-CD1 4.04Å; L590-L594 WeakPolarHBondContact O-CG 3.33Å; L590-L594 PolarHBondContact O-N 3.38Å; D591-L594 PolarHBondContact O-N 2.86Å; K592-L594 VanDerWaalsContact C-N 3.32Å; K592-L594 PolarHBondContact O-N 3.38Å; L594-S596 VanDerWaalsContact C-N 3.31Å; L594-S596 PolarHBondContact O-N 3.05Å; L594-R597 PolarHBondContact O-N 3.19Å; L594-R597 VanDerWaalsContact O-N 3.09Å; L594-A602 HydrophobicContact CD2-CB 3.67Å; L594-A602 HydrophobicContact CG-CB 4.17Å |
| 595 | L | 94.6 | Very high | 95.9 | Very high | 112 Ų | 112 | 54.4 Ų | 54.4 | 59% | 0.586 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.7 | -41.4 | 176.7 | -73.9 | 169.2 | 0 | 0 | 0 | 111.6 | D591 K592 R597 | D591-L595 WeakPolarHBondContact O-CB 3.2Å; D591-L595 WeakPolarHBondContact O-CG 3.39Å; D591-L595 PolarHBondContact O-N 3.29Å; K592-L595 PolarHBondContact O-N 3.45Å; L595-R597 VanDerWaalsContact C-N 3.3Å; L595-R597 PolarHBondContact O-N 3.01Å |
| 596 | S | 94.6 | Very high | 96 | Very high | 47 Ų | 47 | 55.7 Ų | 55.7 | 33% | 0.329 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 1.4 | 176.8 | -62.5 | 0 | 0 | 0 | 0 | 114.3 | S562 K592 L594 H598 | S562-S596 WeakPolarHBondContact O-CB 3.36Å; S562-S596 PolarHBondContact O-OG 3.36Å; S562-S596 VanDerWaalsContact O-OG 3.12Å; K592-S596 WeakPolarHBondContact O-CB 3.3Å; K592-S596 PolarHBondContact O-N 3.35Å; K592-S596 PolarHBondContact O-OG 3.46Å; L594-S596 VanDerWaalsContact C-N 3.31Å; L594-S596 PolarHBondContact O-N 3.05Å; S596-H598 VanDerWaalsContact C-N 3.3Å; S596-H598 WeakPolarHBondContact CB-CD2 3.39Å; S596-H598 PolarHBondContact O-N 2.97Å |
| 597 | R | 95.6 | Very high | 96 | Very high | 214 Ų | 214 | 58.1 Ų | 58.1 | 81% | 0.808 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 27.4 | -179.5 | -51.9 | -179.9 | 179.3 | -174.9 | -0.8 | 115 | A593 L594 L595 N599 | A593-R597 PolarHBondContact O-N 3.04Å; A593-R597 VanDerWaalsContact O-N 3.12Å; L594-R597 PolarHBondContact O-N 3.19Å; L594-R597 VanDerWaalsContact O-N 3.09Å; L595-R597 VanDerWaalsContact C-N 3.3Å; L595-R597 PolarHBondContact O-N 3.01Å; R597-N599 PolarHBondContact O-N 2.97Å; R597-N599 VanDerWaalsContact O-N 3.15Å |
| 598 | H | 97.1 | Very high | 96 | Very high | 59 Ų | 59 | 57 Ų | 57 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | trans | -86 | 77.3 | 174.2 | -62.5 | -57.2 | 0 | 0 | 0 | 111.1 | A561 S562 V563 G564 A593 S596 G600 C601 A602 | A561-H598 PolarHBondContact O-CD2 3.1Å; S562-H598 PolarHBondContact O-CD2 3.36Å; S562-H598 PolarHBondContact O-NE2 3.31Å; V563-H598 VanDerWaalsContact C-NE2 3.28Å; V563-H598 PolarHBondContact O-CE1 3.23Å; V563-H598 VanDerWaalsContact O-CE1 3.28Å; V563-H598 PolarHBondContact O-NE2 2.75Å; G564-H598 WeakPolarHBondContact CA-ND1 3.31Å; G564-H598 PolarHBondContact N-CD2 3.07Å; A593-H598 PolarHBondContact O-N 3.48Å; S596-H598 VanDerWaalsContact C-N 3.3Å; S596-H598 WeakPolarHBondContact CB-CD2 3.39Å; S596-H598 PolarHBondContact O-N 2.97Å; H598-G600 VanDerWaalsContact C-N 3.29Å; H598-G600 PolarHBondContact O-N 3.32Å; H598-C601 HydrophobicContact CB-CB 4.26Å; H598-C601 PolarHBondContact O-N 3.32Å; H598-A602 PolarHBondContact O-N 3.41Å; H598-A602 VanDerWaalsContact O-N 3.08Å | ||
| 599 | N | 94.5 | Very high | 95.8 | Very high | 117 Ų | 117 | 58.5 Ų | 58.5 | 63% | 0.626 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -60.9 | -32 | -174.1 | -70.8 | -39.7 | 0 | 0 | 0 | 114.3 | R597 A602 K603 | R597-N599 PolarHBondContact O-N 2.97Å; R597-N599 VanDerWaalsContact O-N 3.15Å; N599-A602 PolarHBondContact O-N 3.44Å; N599-K603 WeakPolarHBondContact O-CB 3.45Å; N599-K603 PolarHBondContact O-N 3.08Å |
| 600 | G | 95.3 | Very high | 95.6 | Very high | 19 Ų | 19 | 60.9 Ų | 60.9 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.8 | -49.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | E566 H598 A602 K603 L604 | E566-G600 WeakPolarHBondContact OE1-CA 3.35Å; H598-G600 VanDerWaalsContact C-N 3.29Å; H598-G600 PolarHBondContact O-N 3.32Å; G600-A602 VanDerWaalsContact C-N 3.34Å; G600-A602 PolarHBondContact O-N 3.3Å; G600-K603 WeakPolarHBondContact O-CB 3.27Å; G600-K603 PolarHBondContact O-N 2.95Å; G600-K603 VanDerWaalsContact O-N 3.15Å; G600-L604 WeakPolarHBondContact O-CG 3.29Å; G600-L604 PolarHBondContact O-N 3.32Å |
| 601 | C | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.1 | -46.2 | 172.1 | -65.6 | 0 | 0 | 0 | 0 | 111.9 | V569 A593 H598 K603 L604 I605 | V569-C601 HydrophobicContact CG2-CB 4.23Å; A593-C601 HydrophobicContact CB-CB 3.98Å; H598-C601 HydrophobicContact CB-CB 4.26Å; H598-C601 PolarHBondContact O-N 3.32Å; C601-K603 VanDerWaalsContact C-N 3.28Å; C601-K603 PolarHBondContact O-N 3.45Å; C601-L604 PolarHBondContact O-N 3.43Å; C601-I605 VanDerWaalsContact O-CG1 3.3Å; C601-I605 WeakPolarHBondContact O-CG1 3.44Å; C601-I605 PolarHBondContact O-N 3.38Å |
| 602 | A | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.8 | -36.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L590 A593 L594 H598 N599 G600 R606 | L590-A602 HydrophobicContact CD1-CB 3.81Å; A593-A602 HydrophobicContact CB-CB 4Å; L594-A602 HydrophobicContact CD2-CB 3.67Å; L594-A602 HydrophobicContact CG-CB 4.17Å; H598-A602 PolarHBondContact O-N 3.41Å; H598-A602 VanDerWaalsContact O-N 3.08Å; N599-A602 PolarHBondContact O-N 3.44Å; G600-A602 VanDerWaalsContact C-N 3.34Å; G600-A602 PolarHBondContact O-N 3.3Å; A602-R606 WeakPolarHBondContact O-CB 3.49Å; A602-R606 VanDerWaalsContact O-CG 3.27Å; A602-R606 WeakPolarHBondContact O-CG 3.36Å; A602-R606 PolarHBondContact O-N 3.49Å |
| 603 | K | 96.7 | Very high | 93.7 | Very high | 129 Ų | 129 | 67.3 Ų | 67.3 | 56% | 0.561 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.4 | -47.9 | 174.9 | -176.6 | -176.3 | 176 | -172.9 | 0 | 111.2 | N599 G600 C601 I605 R606 Q607 | N599-K603 WeakPolarHBondContact O-CB 3.45Å; N599-K603 PolarHBondContact O-N 3.08Å; G600-K603 WeakPolarHBondContact O-CB 3.27Å; G600-K603 PolarHBondContact O-N 2.95Å; G600-K603 VanDerWaalsContact O-N 3.15Å; C601-K603 VanDerWaalsContact C-N 3.28Å; C601-K603 PolarHBondContact O-N 3.45Å; K603-I605 PolarHBondContact O-N 3.05Å; K603-R606 PolarHBondContact O-N 3.49Å; K603-Q607 WeakPolarHBondContact O-CB 3.49Å; K603-Q607 VanDerWaalsContact O-CG 3.29Å; K603-Q607 WeakPolarHBondContact O-CG 3.33Å; K603-Q607 PolarHBondContact O-N 3.25Å |
| 604 | L | 96.4 | Very high | 92.8 | Very high | 49 Ų | 49 | 73.8 Ų | 73.8 | 26% | 0.257 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.7 | -47.7 | 178 | -70.2 | 172.7 | 0 | 0 | 0 | 111.6 | E566 V569 G600 C601 R606 Q607 F608 | E566-L604 HydrophobicContact CB-CD1 3.9Å; E566-L604 HydrophobicContact CG-CD1 4.44Å; E566-L604 WeakPolarHBondContact O-CD1 3.39Å; V569-L604 HydrophobicContact CG1-CB 4.25Å; G600-L604 WeakPolarHBondContact O-CG 3.29Å; G600-L604 PolarHBondContact O-N 3.32Å; C601-L604 PolarHBondContact O-N 3.43Å; L604-R606 PolarHBondContact O-N 2.96Å; L604-Q607 PolarHBondContact O-N 2.99Å; L604-F608 PolarHBondContact O-N 3.36Å |
| 605 | I | 96.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 179.7 | -64.3 | 164.7 | 0 | 0 | 0 | 110.9 | A561 V569 L573 P579 A589 L590 A593 C601 K603 Q607 F608 M609 | A561-I605 HydrophobicContact CB-CD1 4.01Å; V569-I605 HydrophobicContact CG1-CD1 4.12Å; V569-I605 HydrophobicContact CG1-CG1 3.67Å; L573-I605 HydrophobicContact CD1-CG1 4.12Å; P579-I605 HydrophobicContact CB-CG2 3.8Å; A589-I605 HydrophobicContact CB-CD1 4.22Å; L590-I605 HydrophobicContact CB-CG2 3.86Å; L590-I605 HydrophobicContact CD1-CB 4.36Å; L590-I605 HydrophobicContact CD1-CG2 4.37Å; A593-I605 HydrophobicContact CB-CD1 4.5Å; C601-I605 VanDerWaalsContact O-CG1 3.3Å; C601-I605 WeakPolarHBondContact O-CG1 3.44Å; C601-I605 PolarHBondContact O-N 3.38Å; K603-I605 PolarHBondContact O-N 3.05Å; I605-Q607 PolarHBondContact O-N 2.92Å; I605-F608 PolarHBondContact O-N 3.15Å; I605-M609 HydrophobicContact CG2-CG 4.28Å; I605-M609 HydrophobicContact CG2-SD 3.75Å; I605-M609 VanDerWaalsContact O-CG 3.26Å; I605-M609 WeakPolarHBondContact O-CG 3.37Å; I605-M609 PolarHBondContact O-N 3.48Å |
| 606 | R | 96.1 | Very high | 89.3 | Confident | 123 Ų | 123 | 79.8 Ų | 79.8 | 46% | 0.464 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 176.7 | -78.1 | 177.2 | -179.3 | 135.1 | -3.3 | 112.6 | L590 A602 K603 L604 F608 M609 A610 | L590-R606 HydrophobicContact CD1-CG 3.94Å; L590-R606 HydrophobicContact CD2-CG 3.92Å; A602-R606 WeakPolarHBondContact O-CB 3.49Å; A602-R606 VanDerWaalsContact O-CG 3.27Å; A602-R606 WeakPolarHBondContact O-CG 3.36Å; A602-R606 PolarHBondContact O-N 3.49Å; K603-R606 PolarHBondContact O-N 3.49Å; L604-R606 PolarHBondContact O-N 2.96Å; R606-F608 VanDerWaalsContact C-N 3.34Å; R606-M609 PolarHBondContact O-N 3.09Å; R606-A610 WeakPolarHBondContact O-CB 3.43Å; R606-A610 PolarHBondContact O-N 3.43Å |
| 607 | Q | 94.4 | Very high | 89 | Confident | 96 Ų | 96 | 81.5 Ų | 81.5 | 45% | 0.449 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 177.4 | -76.1 | 177.2 | -30.4 | 0 | 0 | 110.8 | K603 L604 I605 A610 N611 | K603-Q607 WeakPolarHBondContact O-CB 3.49Å; K603-Q607 VanDerWaalsContact O-CG 3.29Å; K603-Q607 WeakPolarHBondContact O-CG 3.33Å; K603-Q607 PolarHBondContact O-N 3.25Å; L604-Q607 PolarHBondContact O-N 2.99Å; I605-Q607 PolarHBondContact O-N 2.92Å; Q607-A610 PolarHBondContact O-N 3.28Å; Q607-N611 PolarHBondContact O-N 3.43Å; Q607-N611 PolarHBondContact O-ND2 3.48Å |
| 608 | F | 95 | Very high | 88.7 | Confident | 40 Ų | 40 | 74.5 Ų | 74.5 | 18% | 0.175 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 176.5 | -171.5 | -86.9 | 0 | 0 | 0 | 112.4 | L573 P579 L604 I605 R606 A610 N611 Q612 | L573-F608 HydrophobicContact CB-CD1 4.42Å; L573-F608 HydrophobicContact CB-CD2 3.72Å; L573-F608 HydrophobicContact CB-CE2 3.83Å; L573-F608 HydrophobicContact CB-CG 4.02Å; L573-F608 HydrophobicContact CB-CZ 4.22Å; L573-F608 HydrophobicContact CD1-CB 3.93Å; L573-F608 HydrophobicContact CD1-CD2 4.47Å; L573-F608 HydrophobicContact CD1-CG 4.15Å; L573-F608 HydrophobicContact CD2-CB 4.48Å; L573-F608 HydrophobicContact CD2-CD1 3.87Å; L573-F608 HydrophobicContact CD2-CE1 4.21Å; L573-F608 HydrophobicContact CD2-CG 4.08Å; L573-F608 HydrophobicContact CG-CD2 4.49Å; L573-F608 HydrophobicContact CG-CG 4.31Å; L573-F608 WeakPolarHBondContact O-CE2 3.41Å; L573-F608 WeakPolarHBondContact O-CZ 3.15Å; P579-F608 HydrophobicContact CG-CD1 4.1Å; P579-F608 HydrophobicContact CG-CE1 4.43Å; L604-F608 PolarHBondContact O-N 3.36Å; I605-F608 PolarHBondContact O-N 3.15Å; R606-F608 VanDerWaalsContact C-N 3.34Å; F608-A610 VanDerWaalsContact C-N 3.34Å; F608-A610 PolarHBondContact O-N 3.08Å; F608-N611 PolarHBondContact O-N 3.41Å; F608-Q612 HydrophobicContact CD1-CG 4.38Å; F608-Q612 HydrophobicContact CE1-CG 4.01Å; F608-Q612 PolarHBondContact O-N 3.48Å; F608-Q612 VanDerWaalsContact O-N 3.09Å |
| 609 | M | 93.4 | Very high | 88.2 | Confident | 45 Ų | 45 | 75.3 Ų | 75.3 | 22% | 0.222 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 176.8 | -68.8 | 170.6 | 82.9 | 0 | 0 | 112.2 | P579 F580 L590 I605 R606 Q612 A613 | P579-M609 HydrophobicContact CB-CG 3.96Å; P579-M609 HydrophobicContact CB-SD 4.3Å; P579-M609 HydrophobicContact CG-CG 3.61Å; F580-M609 HydrophobicContact CD1-CE 3.6Å; F580-M609 HydrophobicContact CE1-CB 4.46Å; F580-M609 HydrophobicContact CE1-CE 3.32Å; F580-M609 HydrophobicContact CE1-CG 4.12Å; F580-M609 HydrophobicContact CZ-CB 4.25Å; F580-M609 HydrophobicContact CZ-CE 4.2Å; F580-M609 HydrophobicContact CZ-CG 4.06Å; L590-M609 HydrophobicContact CD2-SD 4.03Å; I605-M609 HydrophobicContact CG2-CG 4.28Å; I605-M609 HydrophobicContact CG2-SD 3.75Å; I605-M609 VanDerWaalsContact O-CG 3.26Å; I605-M609 WeakPolarHBondContact O-CG 3.37Å; I605-M609 PolarHBondContact O-N 3.48Å; R606-M609 PolarHBondContact O-N 3.09Å; M609-Q612 PolarHBondContact O-N 3.12Å; M609-A613 PolarHBondContact O-N 3.38Å |
| 610 | A | 92.2 | Very high | 87.8 | Confident | 51 Ų | 51 | 72.9 Ų | 72.9 | 42% | 0.421 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.6 | -36.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R606 Q607 F608 A613 N614 | R606-A610 WeakPolarHBondContact O-CB 3.43Å; R606-A610 PolarHBondContact O-N 3.43Å; Q607-A610 PolarHBondContact O-N 3.28Å; F608-A610 VanDerWaalsContact C-N 3.34Å; F608-A610 PolarHBondContact O-N 3.08Å; A610-A613 PolarHBondContact O-N 3.38Å; A610-N614 PolarHBondContact O-N 3.37Å; A610-N614 PolarHBondContact O-ND2 3.31Å |
| 611 | N | 89.4 | Confident | 87.4 | Confident | 102 Ų | 102 | 76.3 Ų | 76.3 | 55% | 0.545 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.6 | -38.5 | 176.4 | -70.3 | -14.8 | 0 | 0 | 0 | 112 | Q607 F608 N614 S615 | Q607-N611 PolarHBondContact O-N 3.43Å; Q607-N611 PolarHBondContact O-ND2 3.48Å; F608-N611 PolarHBondContact O-N 3.41Å; N611-N614 PolarHBondContact O-N 2.85Å; N611-S615 PolarHBondContact O-N 3.13Å; N611-S615 PolarHBondContact O-OG 3.28Å |
| 612 | Q | 82.3 | Confident | 86.8 | Confident | 80 Ų | 80 | 81.3 Ų | 81.3 | 37% | 0.374 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 174.9 | -73.7 | -155.3 | -21.2 | 0 | 0 | 112.2 | F608 M609 N614 S615 D616 | F608-Q612 HydrophobicContact CD1-CG 4.38Å; F608-Q612 HydrophobicContact CE1-CG 4.01Å; F608-Q612 PolarHBondContact O-N 3.48Å; F608-Q612 VanDerWaalsContact O-N 3.09Å; M609-Q612 PolarHBondContact O-N 3.12Å; Q612-N614 PolarHBondContact O-N 3.12Å; Q612-N614 VanDerWaalsContact O-N 3.15Å; Q612-S615 WeakPolarHBondContact O-CB 3.39Å; Q612-S615 PolarHBondContact O-N 3.23Å; Q612-D616 PolarHBondContact O-N 3.15Å |
| 613 | A | 78.9 | Confident | 86.1 | Confident | 69 Ų | 69 | 87.1 Ų | 87.1 | 57% | 0.57 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.5 | -19.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | M609 A610 | M609-A613 PolarHBondContact O-N 3.38Å; A610-A613 PolarHBondContact O-N 3.38Å |
| 614 | N | 76.1 | Confident | 85.2 | Confident | 136 Ų | 136 | 83.9 Ų | 83.9 | 73% | 0.727 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -7.8 | 174.4 | -69.1 | -31.8 | 0 | 0 | 0 | 113.2 | A610 N611 Q612 | A610-N614 PolarHBondContact O-N 3.37Å; A610-N614 PolarHBondContact O-ND2 3.31Å; N611-N614 PolarHBondContact O-N 2.85Å; Q612-N614 PolarHBondContact O-N 3.12Å; Q612-N614 VanDerWaalsContact O-N 3.15Å |
| 615 | S | 67.8 | Low | 84.3 | Confident | 100 Ų | 100 | 86.8 Ų | 86.8 | 70% | 0.699 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -16.9 | -177.2 | -52.9 | 0 | 0 | 0 | 0 | 112.9 | N611 Q612 | N611-S615 PolarHBondContact O-N 3.13Å; N611-S615 PolarHBondContact O-OG 3.28Å; Q612-S615 WeakPolarHBondContact O-CB 3.39Å; Q612-S615 PolarHBondContact O-N 3.23Å |
| 616 | D | 49.9 | Very low | 83.2 | Confident | 200 Ų | 200 | 94.7 Ų | 94.7 | 100% | 1.07 | 52% | 0.52 | S | S | * | . | trans | -93.1 | 0 | 169.4 | -66 | -27.8 | 0 | 0 | 0 | 110.4 | Q612 | Q612-D616 PolarHBondContact O-N 3.15Š|
Retrieved 616 of 616 residues in 561.6 ms
(Link to these results)