| 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 | 42.7 | Very low | 74 | Confident | 243 Ų | 243 | 75.8 Ų | 75.8 | 100% | 1.197 | 45% | 0.448 | S | S | * | . | 0 | 113.5 | 0 | -76 | -172.7 | -86 | 0 | 0 | 106.7 | A3 | M1-A3 PolarHBondContact O-N 3.03Š| |||
| 2 | A | 44.8 | Very low | 75.8 | Confident | 102 Ų | 102 | 69.8 Ų | 69.8 | 84% | 0.843 | 41% | 0.412 | S | S | * | . | trans | -64.3 | 130.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | Q4 | A2-Q4 PolarHBondContact O-N 3.42Š| ||
| 3 | A | 51 | Low | 77.5 | Confident | 94 Ų | 94 | 64.7 Ų | 64.7 | 78% | 0.777 | 38% | 0.382 | S | S | * | . | trans | -60.7 | 112 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | M1 C5 | M1-A3 PolarHBondContact O-N 3.03Å; A3-C5 PolarHBondContact O-N 3.09Å; A3-C5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | Q | 60.1 | Low | 78.9 | Confident | 127 Ų | 127 | 61.9 Ų | 61.9 | 59% | 0.593 | 37% | 0.368 | S | S | * | . | trans | -63.8 | 109.6 | 171.1 | -122.5 | 171.6 | 8.9 | 0 | 0 | 106.2 | A2 V6 Y68 E70 | A2-Q4 PolarHBondContact O-N 3.42Å; Q4-V6 VanDerWaalsContact C-N 3.25Å; Q4-V6 HydrophobicContact CB-CG2 3.97Å; Q4-V6 HydrophobicContact CG-CG2 4.43Å; Q4-V6 PolarHBondContact O-N 2.95Å; Q4-Y68 HydrophobicContact CG-CD1 4.37Å; Q4-E70 WeakPolarHBondContact CG-OE1 3.15Å | ||
| 5 | C | 65.9 | Low | 80.1 | Confident | 77 Ų | 77 | 58.2 Ų | 58.2 | 52% | 0.52 | 35% | 0.346 | S | S | . | . | trans | -77.8 | 85.3 | 178.2 | -168.5 | 0 | 0 | 0 | 0 | 107.2 | A3 F69 | A3-C5 PolarHBondContact O-N 3.09Å; A3-C5 VanDerWaalsContact O-N 3.09Å; C5-F69 HydrophobicContact CB-CD1 3.8Å; C5-F69 HydrophobicContact CB-CE1 3.89Å | ||
| 6 | V | 84.1 | Confident | 81.2 | Confident | 58 Ų | 58 | 56.5 Ų | 56.5 | 35% | 0.352 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 123.6 | -179.9 | -173.6 | 0 | 0 | 0 | 0 | 109 | Q4 D66 Y67 Y68 | Q4-V6 VanDerWaalsContact C-N 3.25Å; Q4-V6 HydrophobicContact CB-CG2 3.97Å; Q4-V6 HydrophobicContact CG-CG2 4.43Å; Q4-V6 PolarHBondContact O-N 2.95Å; V6-D66 HydrophobicContact CG1-CB 3.74Å; V6-Y67 WeakPolarHBondContact CA-O 3.43Å; V6-Y68 HydrophobicContact CB-CE1 4.37Å; V6-Y68 HydrophobicContact CG1-CE1 4.13Å; V6-Y68 HydrophobicContact CG2-CD1 3.59Å; V6-Y68 HydrophobicContact CG2-CE1 3.31Å |
| 7 | T | 89.1 | Confident | 82 | Confident | 34 Ų | 34 | 58.8 Ų | 58.8 | 21% | 0.209 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 137.2 | 175.3 | -63.3 | 0 | 0 | 0 | 0 | 109.4 | Y67 E134 | T7-Y67 PolarHBondContact N-O 3.2Å; T7-Y67 VanDerWaalsContact N-O 3.14Å; T7-Y67 WeakPolarHBondContact O-CB 3.45Å; T7-Y67 PolarHBondContact O-N 3.14Å; T7-E134 HydrophobicContact CG2-CB 4.45Å; T7-E134 HydrophobicContact CG2-CG 3.48Å; T7-E134 VanDerWaalsContact CG2-CG 3.48Å; T7-E134 VanDerWaalsContact CG2-OE1 3.31Å; T7-E134 WeakPolarHBondContact CG2-OE1 3.45Å |
| 8 | K | 92.6 | Very high | 82.7 | Confident | 95 Ų | 95 | 55.9 Ų | 55.9 | 41% | 0.413 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 131 | 172.1 | -75.6 | -173.1 | -179.4 | -62.9 | 0 | 110.4 | D66 I135 | K8-D66 WeakPolarHBondContact CG-OD1 3.32Å; K8-D66 IonicContact NZ-OD1 2.57Å; K8-D66 PolarHBondContact NZ-OD1 2.92Å; K8-D66 IonicContact NZ-OD2 2.83Å; K8-I135 HydrophobicContact CB-CB 4.09Å; K8-I135 HydrophobicContact CB-CD1 4.18Å; K8-I135 PolarHBondContact O-N 3.07Å |
| 9 | V | 94 | Very high | 83 | Confident | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.024 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 130.5 | 179.3 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | L11 I64 I65 V106 A132 E133 | V9-L11 HydrophobicContact CG1-CD2 3.77Å; V9-I64 WeakPolarHBondContact O-CA 3.32Å; V9-I65 PolarHBondContact N-O 3.42Å; V9-I65 PolarHBondContact O-N 3.31Å; V9-V106 HydrophobicContact CG1-CG2 4.12Å; V9-V106 HydrophobicContact CG2-CG2 4.09Å; V9-A132 HydrophobicContact CG1-CB 3.84Å; V9-E133 CarbonylContact C-O 3.55Å; V9-E133 WeakPolarHBondContact CA-O 3.42Å |
| 10 | A | 94.1 | Very high | 83 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 128.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | T62 F63 A132 E133 I135 | A10-T62 HydrophobicContact CB-CG2 3.47Å; A10-T62 VanDerWaalsContact CB-CG2 3.47Å; A10-F63 CarbonylContact C-O 3.56Å; A10-F63 WeakPolarHBondContact CA-O 3.43Å; A10-A132 WeakPolarHBondContact O-CA 2.83Å; A10-E133 PolarHBondContact N-O 2.79Å; A10-E133 PolarHBondContact O-N 2.77Å; A10-I135 HydrophobicContact CB-CD1 3.88Å; A10-I135 HydrophobicContact CB-CG1 3.86Å |
| 11 | L | 95.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 120.7 | 174.2 | -53.1 | -177.3 | 0 | 0 | 0 | 110.6 | V9 T62 F63 I65 L75 F77 L102 I105 I130 S131 A132 | V9-L11 HydrophobicContact CG1-CD2 3.77Å; L11-T62 WeakPolarHBondContact O-CA 3.39Å; L11-T62 WeakPolarHBondContact O-CG2 3.45Å; L11-F63 HydrophobicContact CB-CB 4.25Å; L11-F63 PolarHBondContact N-O 2.94Å; L11-F63 PolarHBondContact O-N 3.28Å; L11-I65 HydrophobicContact CD1-CD1 3.55Å; L11-I65 HydrophobicContact CD1-CG1 4.4Å; L11-I65 HydrophobicContact CG-CD1 4.43Å; L11-L75 HydrophobicContact CD1-CD1 3.93Å; L11-F77 HydrophobicContact CD1-CZ 4.1Å; L11-L102 HydrophobicContact CD1-CD1 4.28Å; L11-L102 HydrophobicContact CD2-CD1 4.17Å; L11-I105 HydrophobicContact CD1-CD1 4.43Å; L11-I105 HydrophobicContact CD2-CG2 4.29Å; L11-I130 HydrophobicContact CB-CG2 4.17Å; L11-I130 HydrophobicContact CD2-CG2 4.45Å; L11-S131 CarbonylContact C-O 3.55Å; L11-S131 VanDerWaalsContact CA-O 3.25Å; L11-S131 WeakPolarHBondContact CA-O 3.31Å; L11-A132 HydrophobicContact CD2-CB 3.61Å |
| 12 | N | 95.5 | Very high | 83.4 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 136.9 | 171 | -67.9 | 100.2 | 0 | 0 | 0 | 109.8 | T62 I130 S131 L175 | N12-T62 PolarHBondContact ND2-OG1 3.2Å; N12-I130 CarbonylContact O-C 3.51Å; N12-I130 WeakPolarHBondContact O-CA 3.38Å; N12-S131 WeakPolarHBondContact CB-OG 3.2Å; N12-S131 PolarHBondContact N-O 3.23Å; N12-S131 PolarHBondContact O-N 2.86Å; N12-L175 HydrophobicContact CB-CD2 4.02Å |
| 13 | V | 97.4 | Very high | 84.1 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.024 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 137.7 | -174.5 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | C31 F59 F63 F77 I128 T129 I130 | V13-C31 HydrophobicContact CG1-CB 4.49Å; V13-F59 HydrophobicContact CB-CD2 4.25Å; V13-F59 HydrophobicContact CG1-CD2 4.13Å; V13-F59 HydrophobicContact CG1-CE2 4.44Å; V13-F59 WeakPolarHBondContact O-CD2 2.94Å; V13-F59 PolarHBondContact O-N 2.91Å; V13-F59 VanDerWaalsContact O-N 3.13Å; V13-F63 HydrophobicContact CG2-CD2 4.04Å; V13-F63 HydrophobicContact CG2-CE2 3.89Å; V13-F77 HydrophobicContact CG2-CD1 4.07Å; V13-F77 HydrophobicContact CG2-CE1 3.84Å; V13-I128 HydrophobicContact CG1-CD1 3.62Å; V13-I128 HydrophobicContact CG1-CG1 3.82Å; V13-T129 WeakPolarHBondContact CA-O 3.24Å; V13-I130 HydrophobicContact CG2-CG1 4.35Å; V13-I130 HydrophobicContact CG2-CG2 4.33Å |
| 14 | S | 97.2 | Very high | 84.5 | Confident | 26 Ų | 26 | 52.2 Ų | 52.2 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 158 | 166.2 | 64 | 0 | 0 | 0 | 0 | 110.7 | P57 I128 T129 | S14-P57 CarbonylContact C-O 3.25Å; S14-P57 VanDerWaalsContact CA-O 3.24Å; S14-P57 WeakPolarHBondContact CA-O 3.32Å; S14-P57 WeakPolarHBondContact CB-O 3.22Å; S14-I128 CarbonylContact O-C 3.58Å; S14-I128 WeakPolarHBondContact O-CA 3.4Å; S14-T129 PolarHBondContact N-O 2.95Å; S14-T129 PolarHBondContact O-N 3.01Å |
| 15 | C | 97.5 | Very high | 85.1 | Confident | 6 Ų | 6 | 48.7 Ų | 48.7 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 160.1 | 173.5 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | L18 N56 P57 S127 | C15-L18 HydrophobicContact CB-CD1 3.98Å; C15-L18 HydrophobicContact CB-CD2 3.66Å; C15-L18 HydrophobicContact CB-CG 3.87Å; C15-N56 CarbonylContact O-C 3.51Å; C15-N56 VanDerWaalsContact O-C 3.24Å; C15-N56 VanDerWaalsContact O-CA 3.25Å; C15-N56 WeakPolarHBondContact O-CA 3.36Å; C15-P57 HydrophobicContact CB-CG 3.76Å; C15-P57 PolarHBondContact N-O 2.73Å; C15-S127 CarbonylContact C-O 3.56Å; C15-S127 WeakPolarHBondContact CA-O 3.4Å; C15-S127 WeakPolarHBondContact CB-O 3.19Å |
| 16 | A | 96.8 | Very high | 85.9 | Confident | 31 Ų | 31 | 48.7 Ų | 48.7 | 26% | 0.256 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 144.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | L18 N56 G126 S127 | A16-L18 VanDerWaalsContact C-N 3.29Å; A16-L18 PolarHBondContact O-N 3.34Å; A16-N56 WeakPolarHBondContact CA-OD1 3.47Å; A16-G126 WeakPolarHBondContact O-CA 3.36Å; A16-S127 PolarHBondContact N-O 2.93Å; A16-S127 PolarHBondContact O-N 2.89Å; A16-S127 PolarHBondContact O-OG 3.03Å |
| 17 | N | 95 | Very high | 86 | Confident | 95 Ų | 95 | 46 Ų | 46 | 51% | 0.508 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 53.7 | 41.8 | 177.8 | -51.3 | -61.8 | 0 | 0 | 0 | 113.4 | L55 N56 K125 G126 | N17-L55 PolarHBondContact N-O 2.85Å; N17-N56 PolarHBondContact N-OD1 2.93Å; N17-K125 HydrophobicContact CB-CB 4.13Å; N17-K125 CarbonylContact O-C 3.54Å; N17-G126 WeakPolarHBondContact O-CA 3.49Å; N17-G126 PolarHBondContact O-N 2.69Å; N17-G126 VanDerWaalsContact O-N 3.12Å |
| 18 | L | 94.4 | Very high | 86 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | trans | -56.2 | 152.1 | 174.9 | -66.1 | -178.1 | 0 | 0 | 0 | 111 | C15 A16 D20 P29 L55 P57 V79 L95 L115 | C15-L18 HydrophobicContact CB-CD1 3.98Å; C15-L18 HydrophobicContact CB-CD2 3.66Å; C15-L18 HydrophobicContact CB-CG 3.87Å; A16-L18 VanDerWaalsContact C-N 3.29Å; A16-L18 PolarHBondContact O-N 3.34Å; L18-D20 PolarHBondContact O-N 3.05Å; L18-P29 HydrophobicContact CD1-CB 3.59Å; L18-P29 HydrophobicContact CD1-CG 3.95Å; L18-L55 HydrophobicContact CB-CB 4.49Å; L18-L55 HydrophobicContact CB-CD2 4.42Å; L18-L55 PolarHBondContact N-O 2.91Å; L18-P57 HydrophobicContact CD1-CG 3.69Å; L18-V79 HydrophobicContact CD1-CG1 4.07Å; L18-V79 HydrophobicContact CD2-CG1 4.25Å; L18-L95 HydrophobicContact CD1-CD1 4.19Å; L18-L115 HydrophobicContact CD2-CD1 3.39Å | ||
| 19 | L | 88.9 | Confident | 86.1 | Confident | 58 Ų | 58 | 40.2 Ų | 40.2 | 30% | 0.304 | 24% | 0.237 | S | C | . | . | trans | -60.1 | 135.1 | 171.8 | -76.1 | 169.7 | 0 | 0 | 0 | 109 | S27 L95 M117 A123 | L19-S27 PolarHBondContact O-OG 3.44Å; L19-L95 HydrophobicContact CB-CD2 4.28Å; L19-M117 HydrophobicContact CD1-SD 4.26Å; L19-A123 HydrophobicContact CD1-CB 4.22Å | ||
| 20 | D | 83.6 | Confident | 86.1 | Confident | 82 Ų | 82 | 40.9 Ų | 40.9 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | trans | -91.3 | 108.6 | 171.8 | -161.3 | -2.7 | 0 | 0 | 0 | 107.9 | L18 K26 L55 | L18-D20 PolarHBondContact O-N 3.05Å; D20-K26 WeakPolarHBondContact OD1-CA 3.34Å; D20-L55 HydrophobicContact CB-CD1 4.06Å; D20-L55 HydrophobicContact CB-CD2 4.14Å | ||
| 21 | K | 70.9 | Confident | 86.2 | Confident | 79 Ų | 79 | 40.9 Ų | 40.9 | 34% | 0.343 | 24% | 0.24 | S | C | . | . | trans | -94.1 | -11.8 | 179.5 | -75.7 | -165.8 | 175.5 | -177.2 | 0 | 113.2 | S27 D92 F94 L95 | K21-S27 PolarHBondContact N-OG 3.47Å; K21-D92 PolarHBondContact NZ-O 2.94Å; K21-F94 VanDerWaalsContact CE-O 3.24Å; K21-F94 WeakPolarHBondContact CE-O 3.27Å; K21-F94 PolarHBondContact NZ-O 2.74Å; K21-L95 HydrophobicContact CD-CD2 3.9Å; K21-L95 HydrophobicContact CG-CD2 3.91Å | ||
| 22 | D | 62.7 | Low | 86.3 | Confident | 42 Ų | 42 | 40.9 Ų | 40.9 | 23% | 0.225 | 24% | 0.24 | C | C | . | . | trans | -87.8 | 136.1 | -172.6 | -86.4 | -14.5 | 0 | 0 | 0 | 112.7 | G24 S25 K26 | D22-G24 PolarHBondContact O-N 2.82Å; D22-S25 WeakPolarHBondContact CB-O 3.3Å; D22-S25 VanDerWaalsContact CB-OG 3.28Å; D22-S25 WeakPolarHBondContact CB-OG 3.34Å; D22-S25 PolarHBondContact OD2-OG 2.66Å; D22-K26 VanDerWaalsContact OD2-O 3.12Å | ||
| 23 | I | 59.5 | Low | 86.4 | Confident | 182 Ų | 182 | 40.8 Ų | 40.8 | 93% | 0.933 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -87.4 | 88.8 | 171.5 | -56.8 | 174.5 | 0 | 0 | 0 | 108 | ||
| 24 | G | 60.4 | Low | 86.4 | Confident | 86 Ų | 86 | 42.2 Ų | 42.2 | 89% | 0.887 | 25% | 0.246 | S | C | * | . | S | Bend | trans | 104.2 | 0.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | D22 | D22-G24 PolarHBondContact O-N 2.82Š|
| 25 | S | 72.5 | Confident | 86.3 | Confident | 54 Ų | 54 | 41.5 Ų | 41.5 | 38% | 0.378 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -130.2 | 179.6 | 165.7 | 48.8 | 0 | 0 | 0 | 0 | 109.7 | D22 N53 | D22-S25 WeakPolarHBondContact CB-O 3.3Å; D22-S25 VanDerWaalsContact CB-OG 3.28Å; D22-S25 WeakPolarHBondContact CB-OG 3.34Å; D22-S25 PolarHBondContact OD2-OG 2.66Å; S25-N53 WeakPolarHBondContact CB-OD1 3.24Å |
| 26 | K | 81.9 | Confident | 86.2 | Confident | 77 Ų | 77 | 41.8 Ų | 41.8 | 34% | 0.335 | 24% | 0.241 | S | C | . | . | trans | -102.3 | 154 | 170.7 | -65.9 | 162.6 | -173.1 | 153.5 | 0 | 107.8 | D20 D22 N53 L55 D220 | D20-K26 WeakPolarHBondContact OD1-CA 3.34Å; D22-K26 VanDerWaalsContact OD2-O 3.12Å; K26-N53 HydrophobicContact CB-CB 4.26Å; K26-N53 WeakPolarHBondContact CD-O 3.29Å; K26-N53 PolarHBondContact N-OD1 3Å; K26-N53 VanDerWaalsContact N-OD1 3.08Å; K26-N53 WeakPolarHBondContact O-CA 3.39Å; K26-N53 PolarHBondContact O-OD1 2.79Å; K26-L55 HydrophobicContact CB-CD2 4.26Å; K26-L55 HydrophobicContact CB-CG 4.24Å; K26-L55 HydrophobicContact CG-CD1 4.5Å; K26-L55 HydrophobicContact CG-CG 4.28Å; K26-D220 PolarHBondContact NZ-O 3.47Å | ||
| 27 | S | 86.4 | Confident | 85.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -50.8 | 147.2 | 172.4 | -65.4 | 0 | 0 | 0 | 0 | 114.5 | L19 K21 P29 N53 C54 D81 | L19-S27 PolarHBondContact O-OG 3.44Å; K21-S27 PolarHBondContact N-OG 3.47Å; S27-P29 WeakPolarHBondContact O-CD 3.32Å; S27-N53 CarbonylContact O-C 3.6Å; S27-N53 WeakPolarHBondContact O-CA 3.28Å; S27-N53 PolarHBondContact O-N 3.15Å; S27-C54 PolarHBondContact O-N 2.85Å; S27-D81 WeakPolarHBondContact CA-OD1 3.37Å; S27-D81 WeakPolarHBondContact CA-OD2 3.16Å; S27-D81 VanDerWaalsContact CB-CG 3.49Å; S27-D81 WeakPolarHBondContact CB-OD2 3.47Å; S27-D81 PolarHBondContact OG-OD2 3.09Å | ||
| 28 | D | 89.6 | Confident | 84.7 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 4% | 0.043 | 25% | 0.25 | C | S | . | . | trans | -101 | 70.5 | 174 | -75.2 | -7.7 | 0 | 0 | 0 | 110.7 | R50 I51 K52 N53 D81 I82 N84 | D28-R50 HydrophobicContact CB-CG 4Å; D28-R50 WeakPolarHBondContact O-CG 3.25Å; D28-R50 IonicContact OD2-NH1 2.71Å; D28-I51 CarbonylContact C-O 3.54Å; D28-I51 VanDerWaalsContact C-O 3.25Å; D28-I51 WeakPolarHBondContact CA-O 3.37Å; D28-K52 WeakPolarHBondContact OD1-CA 3.3Å; D28-N53 PolarHBondContact OD1-N 2.86Å; D28-D81 WeakPolarHBondContact CA-OD1 3.42Å; D28-D81 PolarHBondContact N-OD1 2.74Å; D28-I82 PolarHBondContact O-N 3.35Å; D28-I82 VanDerWaalsContact O-N 3.14Å; D28-N84 PolarHBondContact OD2-ND2 2.8Å; D28-N84 VanDerWaalsContact OD2-ND2 3.11Å | ||
| 29 | P | 93.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 146.5 | -168.8 | 28.8 | -41.4 | 0 | 0 | 0 | 115 | L18 S27 R50 I51 C54 P57 F59 V79 Y80 L95 | L18-P29 HydrophobicContact CD1-CB 3.59Å; L18-P29 HydrophobicContact CD1-CG 3.95Å; S27-P29 WeakPolarHBondContact O-CD 3.32Å; P29-R50 WeakPolarHBondContact O-CA 3.27Å; P29-I51 WeakPolarHBondContact CD-O 3.37Å; P29-I51 HydrophobicContact CG-CB 4.48Å; P29-I51 PolarHBondContact O-N 2.88Å; P29-C54 WeakPolarHBondContact CD-O 3.23Å; P29-C54 WeakPolarHBondContact CG-O 3.2Å; P29-P57 HydrophobicContact CB-CB 4.47Å; P29-P57 HydrophobicContact CB-CG 3.99Å; P29-P57 HydrophobicContact CG-CB 3.7Å; P29-P57 HydrophobicContact CG-CG 3.56Å; P29-F59 HydrophobicContact CB-CZ 4.3Å; P29-V79 HydrophobicContact CB-CG1 4.28Å; P29-Y80 CarbonylContact C-O 3.58Å; P29-Y80 VanDerWaalsContact CA-O 3.27Å; P29-Y80 WeakPolarHBondContact CA-O 3.42Å; P29-L95 HydrophobicContact CB-CD1 4.23Å |
| 30 | L | 94.8 | Very high | 83 | Confident | 19 Ų | 19 | 50.1 Ų | 50.1 | 10% | 0.099 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 141.7 | 167.5 | 175 | 149.7 | 0 | 0 | 0 | 109.5 | V32 R47 T48 R50 V79 Y80 I82 | L30-V32 HydrophobicContact CD2-CG2 3.47Å; L30-V32 VanDerWaalsContact CD2-CG2 3.47Å; L30-R47 HydrophobicContact CD1-CB 4.44Å; L30-R47 HydrophobicContact CD2-CB 4.15Å; L30-R47 HydrophobicContact CD2-CG 4.37Å; L30-T48 VanDerWaalsContact CD1-O 3.28Å; L30-T48 WeakPolarHBondContact CD1-O 3.43Å; L30-R50 HydrophobicContact CD1-CB 4.49Å; L30-V79 WeakPolarHBondContact O-CA 3.38Å; L30-Y80 PolarHBondContact N-O 2.76Å; L30-Y80 PolarHBondContact O-N 2.77Å; L30-I82 HydrophobicContact CB-CG1 4.03Å |
| 31 | C | 97 | Very high | 83.2 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 136.7 | 175.5 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | V13 R47 T48 F59 G78 | V13-C31 HydrophobicContact CG1-CB 4.49Å; C31-R47 WeakPolarHBondContact O-CA 3.45Å; C31-T48 HydrophobicContact CB-CG2 3.87Å; C31-T48 PolarHBondContact N-OG1 3.02Å; C31-T48 PolarHBondContact O-N 3.23Å; C31-T48 PolarHBondContact O-OG1 3.43Å; C31-F59 HydrophobicContact CB-CD2 4.24Å; C31-F59 HydrophobicContact CB-CE2 3.82Å; C31-F59 HydrophobicContact CB-CZ 4.06Å; C31-G78 CarbonylContact C-O 3.47Å; C31-G78 WeakPolarHBondContact CA-O 3.42Å |
| 32 | V | 96.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 128 | 179.1 | -171.4 | 0 | 0 | 0 | 0 | 108.9 | L30 F34 E44 R47 F77 G78 Y80 L89 | L30-V32 HydrophobicContact CD2-CG2 3.47Å; L30-V32 VanDerWaalsContact CD2-CG2 3.47Å; V32-F34 HydrophobicContact CB-CE2 3.8Å; V32-F34 HydrophobicContact CB-CZ 4.14Å; V32-F34 HydrophobicContact CG1-CD2 4.16Å; V32-F34 HydrophobicContact CG1-CE1 4.1Å; V32-F34 HydrophobicContact CG1-CE2 3.48Å; V32-F34 VanDerWaalsContact CG1-CE2 3.48Å; V32-F34 HydrophobicContact CG1-CZ 3.44Å; V32-F34 VanDerWaalsContact CG1-CZ 3.44Å; V32-E44 HydrophobicContact CG1-CG 3.6Å; V32-R47 HydrophobicContact CG1-CG 4.18Å; V32-R47 HydrophobicContact CG2-CG 4.12Å; V32-F77 CarbonylContact O-C 3.33Å; V32-F77 WeakPolarHBondContact O-CA 3.26Å; V32-G78 PolarHBondContact N-O 2.98Å; V32-G78 PolarHBondContact O-N 2.76Å; V32-Y80 HydrophobicContact CB-CE2 4.14Å; V32-Y80 HydrophobicContact CG2-CD2 3.71Å; V32-Y80 HydrophobicContact CG2-CE2 3.7Å; V32-L89 HydrophobicContact CG1-CD1 4.49Å; V32-L89 HydrophobicContact CG2-CD1 3.69Å; V32-L89 HydrophobicContact CG2-CD2 4.38Å |
| 33 | L | 97.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 126.6 | 175.3 | 176 | 64.6 | 0 | 0 | 0 | 110.2 | V45 E46 F63 I65 L75 F77 | L33-V45 HydrophobicContact CB-CB 4.4Å; L33-V45 HydrophobicContact CD2-CB 3.99Å; L33-V45 HydrophobicContact CD2-CG1 4.06Å; L33-V45 HydrophobicContact CD2-CG2 4.32Å; L33-V45 HydrophobicContact CG-CB 4.05Å; L33-V45 HydrophobicContact CG-CG2 4.19Å; L33-V45 PolarHBondContact O-N 3.44Å; L33-E46 PolarHBondContact N-O 2.93Å; L33-F63 HydrophobicContact CB-CD1 4.26Å; L33-F63 HydrophobicContact CB-CD2 4.14Å; L33-F63 HydrophobicContact CB-CE1 4.08Å; L33-F63 HydrophobicContact CB-CE2 3.95Å; L33-F63 HydrophobicContact CB-CG 4.27Å; L33-F63 HydrophobicContact CB-CZ 3.89Å; L33-F63 HydrophobicContact CD2-CB 3.76Å; L33-F63 HydrophobicContact CD2-CD1 4.18Å; L33-F63 HydrophobicContact CD2-CD2 4.05Å; L33-F63 HydrophobicContact CD2-CG 3.75Å; L33-I65 HydrophobicContact CD2-CD1 3.54Å; L33-I65 HydrophobicContact CD2-CG1 4.15Å; L33-L75 HydrophobicContact CD1-CB 4.3Å; L33-L75 HydrophobicContact CD1-CD2 4.16Å; L33-F77 HydrophobicContact CD1-CD1 4.05Å; L33-F77 HydrophobicContact CD1-CE1 3.65Å; L33-F77 HydrophobicContact CD1-CE2 4.25Å; L33-F77 HydrophobicContact CD1-CZ 3.75Å |
| 34 | F | 97.1 | Very high | 87.4 | Confident | 35 Ų | 35 | 51.8 Ų | 51.8 | 15% | 0.154 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 145.7 | 169.1 | -54.1 | -93.7 | 0 | 0 | 0 | 110.9 | V32 W42 Y43 E44 L75 K76 | V32-F34 HydrophobicContact CB-CE2 3.8Å; V32-F34 HydrophobicContact CB-CZ 4.14Å; V32-F34 HydrophobicContact CG1-CD2 4.16Å; V32-F34 HydrophobicContact CG1-CE1 4.1Å; V32-F34 HydrophobicContact CG1-CE2 3.48Å; V32-F34 VanDerWaalsContact CG1-CE2 3.48Å; V32-F34 HydrophobicContact CG1-CZ 3.44Å; V32-F34 VanDerWaalsContact CG1-CZ 3.44Å; F34-W42 HydrophobicContact CB-CB 4.4Å; F34-W42 HydrophobicContact CB-CE3 3.83Å; F34-Y43 WeakPolarHBondContact CA-O 3.15Å; F34-E44 HydrophobicContact CD1-CB 4.02Å; F34-E44 HydrophobicContact CE1-CB 3.87Å; F34-E44 HydrophobicContact CE1-CG 4.19Å; F34-L75 WeakPolarHBondContact O-CA 3.47Å; F34-K76 HydrophobicContact CB-CB 4.15Å; F34-K76 HydrophobicContact CD2-CB 4.49Å; F34-K76 HydrophobicContact CD2-CD 4.18Å; F34-K76 HydrophobicContact CD2-CG 4.15Å; F34-K76 PolarHBondContact N-O 2.79Å; F34-K76 PolarHBondContact O-N 3.39Å |
| 35 | L | 95.7 | Very high | 89 | Confident | 11 Ų | 11 | 50.4 Ų | 50.4 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 141.6 | 179.7 | 174.1 | 57.4 | 0 | 0 | 0 | 110.5 | T37 Y43 V45 Q73 K74 L75 | L35-T37 HydrophobicContact CD1-CG2 3.66Å; L35-T37 HydrophobicContact CD2-CG2 4.31Å; L35-T37 HydrophobicContact CG-CG2 3.98Å; L35-Y43 HydrophobicContact CB-CE1 4.08Å; L35-Y43 HydrophobicContact CB-CE2 4.24Å; L35-Y43 WeakPolarHBondContact CD2-OH 3.44Å; L35-Y43 HydrophobicContact CG-CE1 4.07Å; L35-Y43 PolarHBondContact N-O 3.24Å; L35-Y43 WeakPolarHBondContact O-CD1 3.21Å; L35-Y43 WeakPolarHBondContact O-CE1 3.44Å; L35-Y43 PolarHBondContact O-N 2.8Å; L35-V45 HydrophobicContact CB-CG2 3.44Å; L35-V45 VanDerWaalsContact CB-CG2 3.44Å; L35-V45 HydrophobicContact CD2-CG2 4.33Å; L35-Q73 HydrophobicContact CD1-CB 4.06Å; L35-K74 WeakPolarHBondContact CA-O 3.35Å; L35-K74 WeakPolarHBondContact CD1-O 3.49Å; L35-L75 HydrophobicContact CB-CD2 4.34Å; L35-L75 HydrophobicContact CD1-CD2 3.64Å; L35-L75 HydrophobicContact CG-CD2 4.48Å |
| 36 | N | 93.9 | Very high | 90.1 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 6% | 0.064 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 109.6 | 172.8 | -175.8 | -16.1 | 0 | 0 | 0 | 109.7 | G39 W42 K74 | N36-G39 WeakPolarHBondContact OD1-CA 3.37Å; N36-G39 PolarHBondContact OD1-N 3.48Å; N36-W42 HydrophobicContact CB-CD2 3.76Å; N36-W42 HydrophobicContact CB-CE3 3.54Å; N36-W42 HydrophobicContact CB-CG 4.4Å; N36-W42 HydrophobicContact CB-CH2 4.23Å; N36-W42 HydrophobicContact CB-CZ2 4.41Å; N36-W42 HydrophobicContact CB-CZ3 3.78Å; N36-K74 HydrophobicContact CB-CB 4.36Å; N36-K74 PolarHBondContact N-O 3.43Å; N36-K74 WeakPolarHBondContact O-CB 3.09Å; N36-K74 PolarHBondContact O-N 2.99Å |
| 37 | T | 82.9 | Confident | 90.8 | Very high | 63 Ų | 63 | 51.1 Ų | 51.1 | 39% | 0.387 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -106.2 | -27.8 | -178.9 | 53 | 0 | 0 | 0 | 0 | 113.3 | L35 Q73 | L35-T37 HydrophobicContact CD1-CG2 3.66Å; L35-T37 HydrophobicContact CD2-CG2 4.31Å; L35-T37 HydrophobicContact CG-CG2 3.98Å; T37-Q73 HydrophobicContact CG2-CB 4.33Å; T37-Q73 HydrophobicContact CG2-CG 3.91Å |
| 38 | S | 78.1 | Confident | 91.3 | Very high | 82 Ų | 82 | 51.6 Ų | 51.6 | 57% | 0.573 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -102.1 | -4.3 | -175.3 | 62.2 | 0 | 0 | 0 | 0 | 114.3 | Q40 | S38-Q40 PolarHBondContact O-N 3.37Š|
| 39 | G | 69.8 | Low | 91.4 | Very high | 55 Ų | 55 | 53.8 Ų | 53.8 | 57% | 0.567 | 27% | 0.274 | S | S | * | . | S | Bend | trans | 79 | -5.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N36 | N36-G39 WeakPolarHBondContact OD1-CA 3.37Å; N36-G39 PolarHBondContact OD1-N 3.48Å |
| 40 | Q | 77.1 | Confident | 91.3 | Very high | 165 Ų | 165 | 57.6 Ų | 57.6 | 77% | 0.771 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -88.2 | -42.1 | -172.5 | -69 | -177.8 | -17.2 | 0 | 0 | 113.7 | S38 | S38-Q40 PolarHBondContact O-N 3.37Š|
| 41 | Q | 88.4 | Confident | 91.2 | Very high | 141 Ų | 141 | 57 Ų | 57 | 66% | 0.659 | 29% | 0.285 | S | S | * | . | trans | -156.3 | 149.3 | -176.8 | 59.2 | -170.5 | -12.5 | 0 | 0 | 111.9 | ||||
| 42 | W | 93 | Very high | 90.8 | Very high | 81 Ų | 81 | 60.9 Ų | 60.9 | 31% | 0.307 | 30% | 0.302 | S | S | . | . | trans | -81.5 | 137.5 | 166.6 | -66.7 | 101.1 | 0 | 0 | 0 | 109 | F34 N36 K74 K76 | F34-W42 HydrophobicContact CB-CB 4.4Å; F34-W42 HydrophobicContact CB-CE3 3.83Å; N36-W42 HydrophobicContact CB-CD2 3.76Å; N36-W42 HydrophobicContact CB-CE3 3.54Å; N36-W42 HydrophobicContact CB-CG 4.4Å; N36-W42 HydrophobicContact CB-CH2 4.23Å; N36-W42 HydrophobicContact CB-CZ2 4.41Å; N36-W42 HydrophobicContact CB-CZ3 3.78Å; W42-K74 HydrophobicContact CH2-CB 3.77Å; W42-K74 HydrophobicContact CZ3-CB 4.23Å; W42-K74 WeakPolarHBondContact CZ3-O 3.39Å; W42-K76 HydrophobicContact CD2-CB 4.45Å; W42-K76 HydrophobicContact CE3-CB 3.95Å; W42-K76 HydrophobicContact CH2-CB 3.69Å; W42-K76 HydrophobicContact CZ2-CB 4.22Å; W42-K76 HydrophobicContact CZ3-CB 3.56Å | ||
| 43 | Y | 93 | Very high | 90.3 | Very high | 117 Ų | 117 | 62.2 Ų | 62.2 | 46% | 0.459 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 145.9 | 167.7 | 65.4 | -88 | 0 | 0 | 0 | 110.1 | F34 L35 V45 | F34-Y43 WeakPolarHBondContact CA-O 3.15Å; L35-Y43 HydrophobicContact CB-CE1 4.08Å; L35-Y43 HydrophobicContact CB-CE2 4.24Å; L35-Y43 WeakPolarHBondContact CD2-OH 3.44Å; L35-Y43 HydrophobicContact CG-CE1 4.07Å; L35-Y43 PolarHBondContact N-O 3.24Å; L35-Y43 WeakPolarHBondContact O-CD1 3.21Å; L35-Y43 WeakPolarHBondContact O-CE1 3.44Å; L35-Y43 PolarHBondContact O-N 2.8Å; Y43-V45 HydrophobicContact CD2-CG2 4.27Å; Y43-V45 HydrophobicContact CE2-CG2 3.86Å; Y43-V45 PolarHBondContact O-N 3.01Å |
| 44 | E | 95.1 | Very high | 89.9 | Confident | 82 Ų | 82 | 63.8 Ų | 63.8 | 38% | 0.383 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 124.3 | 174.9 | -169.5 | -179.3 | 128.8 | 0 | 0 | 109.1 | V32 F34 R47 | V32-E44 HydrophobicContact CG1-CG 3.6Å; F34-E44 HydrophobicContact CD1-CB 4.02Å; F34-E44 HydrophobicContact CE1-CB 3.87Å; F34-E44 HydrophobicContact CE1-CG 4.19Å; E44-R47 VanDerWaalsContact OE1-CG 3.31Å; E44-R47 WeakPolarHBondContact OE1-CG 3.38Å; E44-R47 IonicContact OE1-CZ 2.62Å; E44-R47 IonicContact OE1-NE 3.23Å; E44-R47 PolarHBondContact OE1-NE 2.89Å; E44-R47 IonicContact OE1-NH2 3.54Å; E44-R47 PolarHBondContact OE1-NH2 3.22Å; E44-R47 IonicContact OE2-CZ 2.99Å; E44-R47 IonicContact OE2-NE 3.38Å; E44-R47 PolarHBondContact OE2-NE 2.88Å; E44-R47 IonicContact OE2-NH2 2.63Å; E44-R47 PolarHBondContact OE2-NH2 3.39Å |
| 45 | V | 95.2 | Very high | 89.7 | Confident | 57 Ų | 57 | 63.9 Ų | 63.9 | 35% | 0.345 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -55.9 | 176.8 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | L33 L35 Y43 | L33-V45 HydrophobicContact CB-CB 4.4Å; L33-V45 HydrophobicContact CD2-CB 3.99Å; L33-V45 HydrophobicContact CD2-CG1 4.06Å; L33-V45 HydrophobicContact CD2-CG2 4.32Å; L33-V45 HydrophobicContact CG-CB 4.05Å; L33-V45 HydrophobicContact CG-CG2 4.19Å; L33-V45 PolarHBondContact O-N 3.44Å; L35-V45 HydrophobicContact CB-CG2 3.44Å; L35-V45 VanDerWaalsContact CB-CG2 3.44Å; L35-V45 HydrophobicContact CD2-CG2 4.33Å; Y43-V45 HydrophobicContact CD2-CG2 4.27Å; Y43-V45 HydrophobicContact CE2-CG2 3.86Å; Y43-V45 PolarHBondContact O-N 3.01Å |
| 46 | E | 96 | Very high | 89.7 | Confident | 70 Ų | 70 | 67.3 Ų | 67.3 | 33% | 0.327 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 165.9 | -174.7 | -157.1 | 169.1 | -143.3 | 0 | 0 | 111.1 | L33 K61 F63 | L33-E46 PolarHBondContact N-O 2.93Å; E46-K61 WeakPolarHBondContact OE1-CE 3.47Å; E46-K61 IonicContact OE1-NZ 3.71Å; E46-K61 PolarHBondContact OE1-NZ 3.17Å; E46-K61 WeakPolarHBondContact OE2-CE 3.4Å; E46-K61 IonicContact OE2-NZ 3.74Å; E46-K61 PolarHBondContact OE2-NZ 3.37Å; E46-F63 HydrophobicContact CB-CD1 3.85Å; E46-F63 HydrophobicContact CB-CE1 3.86Å; E46-F63 HydrophobicContact CG-CD1 4.4Å; E46-F63 HydrophobicContact CG-CE1 4.36Å |
| 47 | R | 95.9 | Very high | 89.7 | Confident | 76 Ų | 76 | 66.8 Ų | 66.8 | 29% | 0.287 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 149.1 | 175.1 | -57.7 | -171.8 | -173.4 | -172.7 | -1.9 | 111 | L30 C31 V32 E44 I87 | L30-R47 HydrophobicContact CD1-CB 4.44Å; L30-R47 HydrophobicContact CD2-CB 4.15Å; L30-R47 HydrophobicContact CD2-CG 4.37Å; C31-R47 WeakPolarHBondContact O-CA 3.45Å; V32-R47 HydrophobicContact CG1-CG 4.18Å; V32-R47 HydrophobicContact CG2-CG 4.12Å; E44-R47 VanDerWaalsContact OE1-CG 3.31Å; E44-R47 WeakPolarHBondContact OE1-CG 3.38Å; E44-R47 IonicContact OE1-CZ 2.62Å; E44-R47 IonicContact OE1-NE 3.23Å; E44-R47 PolarHBondContact OE1-NE 2.89Å; E44-R47 IonicContact OE1-NH2 3.54Å; E44-R47 PolarHBondContact OE1-NH2 3.22Å; E44-R47 IonicContact OE2-CZ 2.99Å; E44-R47 IonicContact OE2-NE 3.38Å; E44-R47 PolarHBondContact OE2-NE 2.88Å; E44-R47 IonicContact OE2-NH2 2.63Å; E44-R47 PolarHBondContact OE2-NH2 3.39Å; R47-I87 PolarHBondContact NH1-O 3.24Å |
| 48 | T | 95.9 | Very high | 90.3 | Very high | 9 Ų | 9 | 67.4 Ų | 67.4 | 6% | 0.055 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 173.4 | 167.2 | 65.9 | 0 | 0 | 0 | 0 | 111.3 | L30 C31 F59 K61 F63 | L30-T48 VanDerWaalsContact CD1-O 3.28Å; L30-T48 WeakPolarHBondContact CD1-O 3.43Å; C31-T48 HydrophobicContact CB-CG2 3.87Å; C31-T48 PolarHBondContact N-OG1 3.02Å; C31-T48 PolarHBondContact O-N 3.23Å; C31-T48 PolarHBondContact O-OG1 3.43Å; T48-F59 HydrophobicContact CG2-CB 3.81Å; T48-F59 HydrophobicContact CG2-CD1 4.1Å; T48-F59 HydrophobicContact CG2-CD2 4.31Å; T48-F59 HydrophobicContact CG2-CG 3.82Å; T48-F59 WeakPolarHBondContact OG1-CD1 3.31Å; T48-F59 WeakPolarHBondContact OG1-CE1 3.17Å; T48-K61 HydrophobicContact CG2-CB 4.22Å; T48-F63 HydrophobicContact CG2-CE1 4.18Å; T48-F63 HydrophobicContact CG2-CE2 4.02Å; T48-F63 HydrophobicContact CG2-CZ 3.49Å; T48-F63 VanDerWaalsContact CG2-CZ 3.49Å |
| 49 | E | 93.3 | Very high | 91.1 | Very high | 55 Ų | 55 | 63.6 Ų | 63.6 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 160.6 | 159 | 75.9 | -81 | -155.3 | 0 | 0 | 111.4 | I51 F59 S60 K61 | E49-I51 HydrophobicContact CG-CG1 4.32Å; E49-F59 WeakPolarHBondContact O-CD1 3.23Å; E49-S60 VanDerWaalsContact CD-OG 3.25Å; E49-S60 WeakPolarHBondContact OE1-CA 3.21Å; E49-S60 WeakPolarHBondContact OE1-CB 3.38Å; E49-S60 PolarHBondContact OE1-N 2.97Å; E49-S60 PolarHBondContact OE1-OG 3.01Å; E49-K61 WeakPolarHBondContact OE2-CB 3.43Å; E49-K61 PolarHBondContact OE2-N 2.76Å; E49-K61 VanDerWaalsContact OE2-N 3.11Å |
| 50 | R | 91.5 | Very high | 92.2 | Very high | 80 Ų | 80 | 62.1 Ų | 62.1 | 30% | 0.302 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -89.2 | 131.4 | 169.5 | -178.7 | -177 | 69.5 | 172.6 | -4 | 109.9 | D28 P29 L30 I82 N84 | D28-R50 HydrophobicContact CB-CG 4Å; D28-R50 WeakPolarHBondContact O-CG 3.25Å; D28-R50 IonicContact OD2-NH1 2.71Å; P29-R50 WeakPolarHBondContact O-CA 3.27Å; L30-R50 HydrophobicContact CD1-CB 4.49Å; R50-I82 HydrophobicContact CG-CB 4.32Å; R50-I82 PolarHBondContact NH1-O 2.69Å; R50-N84 PolarHBondContact NH1-OD1 3.01Å; R50-N84 PolarHBondContact NH2-OD1 3.35Å |
| 51 | I | 91.1 | Very high | 93 | Very high | 6 Ų | 6 | 57.9 Ų | 57.9 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | trans | -105.5 | 121 | 175.2 | -60.7 | -179.7 | 0 | 0 | 0 | 107.7 | D28 P29 E49 C54 P57 Q58 F59 | D28-I51 CarbonylContact C-O 3.54Å; D28-I51 VanDerWaalsContact C-O 3.25Å; D28-I51 WeakPolarHBondContact CA-O 3.37Å; P29-I51 WeakPolarHBondContact CD-O 3.37Å; P29-I51 HydrophobicContact CG-CB 4.48Å; P29-I51 PolarHBondContact O-N 2.88Å; E49-I51 HydrophobicContact CG-CG1 4.32Å; I51-C54 HydrophobicContact CB-CB 4.45Å; I51-C54 HydrophobicContact CG2-CB 3.49Å; I51-C54 VanDerWaalsContact CG2-CB 3.49Å; I51-P57 HydrophobicContact CB-CB 4.31Å; I51-P57 HydrophobicContact CD1-CB 3.69Å; I51-P57 HydrophobicContact CG1-CB 4.46Å; I51-Q58 WeakPolarHBondContact CD1-O 3.44Å; I51-F59 HydrophobicContact CD1-CD1 3.7Å; I51-F59 HydrophobicContact CD1-CE1 3.99Å; I51-F59 HydrophobicContact CD1-CG 4.36Å; I51-F59 HydrophobicContact CG1-CD1 4.1Å; I51-F59 HydrophobicContact CG1-CE1 4.16Å | ||
| 52 | K | 88.7 | Confident | 93.2 | Very high | 82 Ų | 82 | 52.1 Ų | 52.1 | 36% | 0.357 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 144.9 | -176.4 | -68.3 | -176.2 | 172.7 | -172.1 | 0 | 112.2 | D28 C54 Y217 | D28-K52 WeakPolarHBondContact OD1-CA 3.3Å; K52-C54 VanDerWaalsContact C-N 3.31Å; K52-C54 PolarHBondContact O-N 2.94Å; K52-Y217 WeakPolarHBondContact CD-OH 3.37Å |
| 53 | N | 87.4 | Confident | 93.3 | Very high | 28 Ų | 28 | 48.3 Ų | 48.3 | 15% | 0.15 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 48.8 | 171.2 | -74.6 | -58.2 | 0 | 0 | 0 | 113.9 | S25 K26 S27 D28 N219 | S25-N53 WeakPolarHBondContact CB-OD1 3.24Å; K26-N53 HydrophobicContact CB-CB 4.26Å; K26-N53 WeakPolarHBondContact CD-O 3.29Å; K26-N53 PolarHBondContact N-OD1 3Å; K26-N53 VanDerWaalsContact N-OD1 3.08Å; K26-N53 WeakPolarHBondContact O-CA 3.39Å; K26-N53 PolarHBondContact O-OD1 2.79Å; S27-N53 CarbonylContact O-C 3.6Å; S27-N53 WeakPolarHBondContact O-CA 3.28Å; S27-N53 PolarHBondContact O-N 3.15Å; D28-N53 PolarHBondContact OD1-N 2.86Å; N53-N219 PolarHBondContact ND2-O 3.27Å |
| 54 | C | 90.1 | Very high | 93.3 | Very high | 33 Ų | 33 | 47.7 Ų | 47.7 | 22% | 0.223 | 23% | 0.232 | C | C | . | . | trans | -139.6 | 116.5 | -172.2 | -168.7 | 0 | 0 | 0 | 0 | 112.7 | S27 P29 I51 K52 N56 | S27-C54 PolarHBondContact O-N 2.85Å; P29-C54 WeakPolarHBondContact CD-O 3.23Å; P29-C54 WeakPolarHBondContact CG-O 3.2Å; I51-C54 HydrophobicContact CB-CB 4.45Å; I51-C54 HydrophobicContact CG2-CB 3.49Å; I51-C54 VanDerWaalsContact CG2-CB 3.49Å; K52-C54 VanDerWaalsContact C-N 3.31Å; K52-C54 PolarHBondContact O-N 2.94Å; C54-N56 VanDerWaalsContact SG-C 3.54Å | ||
| 55 | L | 92.5 | Very high | 93.3 | Very high | 36 Ų | 36 | 44.3 Ų | 44.3 | 19% | 0.188 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -89.4 | -3.4 | 175.1 | -56.8 | -179.2 | 0 | 0 | 0 | 113.6 | N17 L18 D20 K26 P57 | N17-L55 PolarHBondContact N-O 2.85Å; L18-L55 HydrophobicContact CB-CB 4.49Å; L18-L55 HydrophobicContact CB-CD2 4.42Å; L18-L55 PolarHBondContact N-O 2.91Å; D20-L55 HydrophobicContact CB-CD1 4.06Å; D20-L55 HydrophobicContact CB-CD2 4.14Å; K26-L55 HydrophobicContact CB-CD2 4.26Å; K26-L55 HydrophobicContact CB-CG 4.24Å; K26-L55 HydrophobicContact CG-CD1 4.5Å; K26-L55 HydrophobicContact CG-CG 4.28Å; L55-P57 VanDerWaalsContact C-CD 3.42Å |
| 56 | N | 94.9 | Very high | 93.2 | Very high | 84 Ų | 84 | 44.1 Ų | 44.1 | 45% | 0.449 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -131.7 | 55.1 | -179.2 | -55.2 | -77.8 | 0 | 0 | 0 | 111.2 | C15 A16 N17 C54 Q58 | C15-N56 CarbonylContact O-C 3.51Å; C15-N56 VanDerWaalsContact O-C 3.24Å; C15-N56 VanDerWaalsContact O-CA 3.25Å; C15-N56 WeakPolarHBondContact O-CA 3.36Å; A16-N56 WeakPolarHBondContact CA-OD1 3.47Å; N17-N56 PolarHBondContact N-OD1 2.93Å; C54-N56 VanDerWaalsContact SG-C 3.54Å; N56-Q58 PolarHBondContact O-N 2.77Å |
| 57 | P | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -65.2 | 135.6 | -172.7 | 28.5 | -37.4 | 0 | 0 | 0 | 111.9 | S14 C15 L18 P29 I51 L55 F59 | S14-P57 CarbonylContact C-O 3.25Å; S14-P57 VanDerWaalsContact CA-O 3.24Å; S14-P57 WeakPolarHBondContact CA-O 3.32Å; S14-P57 WeakPolarHBondContact CB-O 3.22Å; C15-P57 HydrophobicContact CB-CG 3.76Å; C15-P57 PolarHBondContact N-O 2.73Å; L18-P57 HydrophobicContact CD1-CG 3.69Å; P29-P57 HydrophobicContact CB-CB 4.47Å; P29-P57 HydrophobicContact CB-CG 3.99Å; P29-P57 HydrophobicContact CG-CB 3.7Å; P29-P57 HydrophobicContact CG-CG 3.56Å; I51-P57 HydrophobicContact CB-CB 4.31Å; I51-P57 HydrophobicContact CD1-CB 3.69Å; I51-P57 HydrophobicContact CG1-CB 4.46Å; L55-P57 VanDerWaalsContact C-CD 3.42Å; P57-F59 HydrophobicContact CB-CE1 4Å; P57-F59 HydrophobicContact CB-CE2 4Å; P57-F59 HydrophobicContact CB-CZ 3.68Å; P57-F59 HydrophobicContact CG-CE2 3.9Å; P57-F59 HydrophobicContact CG-CZ 3.72Å | ||
| 58 | Q | 95.2 | Very high | 92.9 | Very high | 77 Ų | 77 | 43 Ų | 43 | 36% | 0.36 | 21% | 0.208 | S | C | . | . | B | Isolated β-bridge | trans | -106.6 | 118 | 158.6 | -63.9 | -167.3 | -1.6 | 0 | 0 | 107.7 | I51 N56 M176 | I51-Q58 WeakPolarHBondContact CD1-O 3.44Å; N56-Q58 PolarHBondContact O-N 2.77Å; Q58-M176 HydrophobicContact CB-CE 4.2Å; Q58-M176 WeakPolarHBondContact O-CE 3.38Å |
| 59 | F | 95.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.009 | 23% | 0.233 | C | C | . | . | trans | -88.7 | 128.4 | -179.3 | -57 | -77 | 0 | 0 | 0 | 110.2 | V13 P29 C31 T48 E49 I51 P57 | V13-F59 HydrophobicContact CB-CD2 4.25Å; V13-F59 HydrophobicContact CG1-CD2 4.13Å; V13-F59 HydrophobicContact CG1-CE2 4.44Å; V13-F59 WeakPolarHBondContact O-CD2 2.94Å; V13-F59 PolarHBondContact O-N 2.91Å; V13-F59 VanDerWaalsContact O-N 3.13Å; P29-F59 HydrophobicContact CB-CZ 4.3Å; C31-F59 HydrophobicContact CB-CD2 4.24Å; C31-F59 HydrophobicContact CB-CE2 3.82Å; C31-F59 HydrophobicContact CB-CZ 4.06Å; T48-F59 HydrophobicContact CG2-CB 3.81Å; T48-F59 HydrophobicContact CG2-CD1 4.1Å; T48-F59 HydrophobicContact CG2-CD2 4.31Å; T48-F59 HydrophobicContact CG2-CG 3.82Å; T48-F59 WeakPolarHBondContact OG1-CD1 3.31Å; T48-F59 WeakPolarHBondContact OG1-CE1 3.17Å; E49-F59 WeakPolarHBondContact O-CD1 3.23Å; I51-F59 HydrophobicContact CD1-CD1 3.7Å; I51-F59 HydrophobicContact CD1-CE1 3.99Å; I51-F59 HydrophobicContact CD1-CG 4.36Å; I51-F59 HydrophobicContact CG1-CD1 4.1Å; I51-F59 HydrophobicContact CG1-CE1 4.16Å; P57-F59 HydrophobicContact CB-CE1 4Å; P57-F59 HydrophobicContact CB-CE2 4Å; P57-F59 HydrophobicContact CB-CZ 3.68Å; P57-F59 HydrophobicContact CG-CE2 3.9Å; P57-F59 HydrophobicContact CG-CZ 3.72Å | ||
| 60 | S | 92.3 | Very high | 92.3 | Very high | 23 Ų | 23 | 50.5 Ų | 50.5 | 16% | 0.161 | 24% | 0.24 | C | C | . | . | trans | -72.4 | -31.5 | 173.6 | 65.2 | 0 | 0 | 0 | 0 | 112.1 | E49 T62 | E49-S60 VanDerWaalsContact CD-OG 3.25Å; E49-S60 WeakPolarHBondContact OE1-CA 3.21Å; E49-S60 WeakPolarHBondContact OE1-CB 3.38Å; E49-S60 PolarHBondContact OE1-N 2.97Å; E49-S60 PolarHBondContact OE1-OG 3.01Å; S60-T62 PolarHBondContact O-N 2.97Å | ||
| 61 | K | 93 | Very high | 92.2 | Very high | 76 Ų | 76 | 49.2 Ų | 49.2 | 33% | 0.33 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -61.7 | 125.5 | 175.4 | -177.8 | 69.5 | 178.1 | -172.7 | 0 | 110.5 | E46 T48 E49 | E46-K61 WeakPolarHBondContact OE1-CE 3.47Å; E46-K61 IonicContact OE1-NZ 3.71Å; E46-K61 PolarHBondContact OE1-NZ 3.17Å; E46-K61 WeakPolarHBondContact OE2-CE 3.4Å; E46-K61 IonicContact OE2-NZ 3.74Å; E46-K61 PolarHBondContact OE2-NZ 3.37Å; T48-K61 HydrophobicContact CG2-CB 4.22Å; E49-K61 WeakPolarHBondContact OE2-CB 3.43Å; E49-K61 PolarHBondContact OE2-N 2.76Å; E49-K61 VanDerWaalsContact OE2-N 3.11Å |
| 62 | T | 92.6 | Very high | 92.2 | Very high | 21 Ų | 21 | 53.7 Ų | 53.7 | 13% | 0.129 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -102.5 | 128.9 | 174.2 | -54.3 | 0 | 0 | 0 | 0 | 109.1 | A10 L11 N12 S60 | A10-T62 HydrophobicContact CB-CG2 3.47Å; A10-T62 VanDerWaalsContact CB-CG2 3.47Å; L11-T62 WeakPolarHBondContact O-CA 3.39Å; L11-T62 WeakPolarHBondContact O-CG2 3.45Å; N12-T62 PolarHBondContact ND2-OG1 3.2Å; S60-T62 PolarHBondContact O-N 2.97Å |
| 63 | F | 95.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 129.1 | 173.7 | -57.8 | -58 | 0 | 0 | 0 | 110.2 | A10 L11 V13 L33 E46 T48 F77 | A10-F63 CarbonylContact C-O 3.56Å; A10-F63 WeakPolarHBondContact CA-O 3.43Å; L11-F63 HydrophobicContact CB-CB 4.25Å; L11-F63 PolarHBondContact N-O 2.94Å; L11-F63 PolarHBondContact O-N 3.28Å; V13-F63 HydrophobicContact CG2-CD2 4.04Å; V13-F63 HydrophobicContact CG2-CE2 3.89Å; L33-F63 HydrophobicContact CB-CD1 4.26Å; L33-F63 HydrophobicContact CB-CD2 4.14Å; L33-F63 HydrophobicContact CB-CE1 4.08Å; L33-F63 HydrophobicContact CB-CE2 3.95Å; L33-F63 HydrophobicContact CB-CG 4.27Å; L33-F63 HydrophobicContact CB-CZ 3.89Å; L33-F63 HydrophobicContact CD2-CB 3.76Å; L33-F63 HydrophobicContact CD2-CD1 4.18Å; L33-F63 HydrophobicContact CD2-CD2 4.05Å; L33-F63 HydrophobicContact CD2-CG 3.75Å; E46-F63 HydrophobicContact CB-CD1 3.85Å; E46-F63 HydrophobicContact CB-CE1 3.86Å; E46-F63 HydrophobicContact CG-CD1 4.4Å; E46-F63 HydrophobicContact CG-CE1 4.36Å; T48-F63 HydrophobicContact CG2-CE1 4.18Å; T48-F63 HydrophobicContact CG2-CE2 4.02Å; T48-F63 HydrophobicContact CG2-CZ 3.49Å; T48-F63 VanDerWaalsContact CG2-CZ 3.49Å; F63-F77 HydrophobicContact CD2-CE1 4.27Å; F63-F77 HydrophobicContact CE2-CD1 4.47Å; F63-F77 HydrophobicContact CE2-CE1 4.34Å |
| 64 | I | 93.9 | Very high | 92.9 | Very high | 104 Ų | 104 | 53.4 Ų | 53.4 | 53% | 0.533 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 118.9 | 178.6 | -59.1 | 176.6 | 0 | 0 | 0 | 108.9 | V9 I135 | V9-I64 WeakPolarHBondContact O-CA 3.32Å; I64-I135 HydrophobicContact CD1-CD1 4.29Å; I64-I135 HydrophobicContact CG1-CD1 4.11Å; I64-I135 HydrophobicContact CG2-CD1 3.83Å |
| 65 | I | 94.1 | Very high | 93.3 | Very high | 10 Ų | 10 | 51.9 Ų | 51.9 | 5% | 0.051 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 139.5 | -177.4 | -49.7 | 179.2 | 0 | 0 | 0 | 109.9 | V9 L11 L33 L75 L102 | V9-I65 PolarHBondContact N-O 3.42Å; V9-I65 PolarHBondContact O-N 3.31Å; L11-I65 HydrophobicContact CD1-CD1 3.55Å; L11-I65 HydrophobicContact CD1-CG1 4.4Å; L11-I65 HydrophobicContact CG-CD1 4.43Å; L33-I65 HydrophobicContact CD2-CD1 3.54Å; L33-I65 HydrophobicContact CD2-CG1 4.15Å; I65-L75 HydrophobicContact CD1-CD1 4.2Å; I65-L75 HydrophobicContact CD1-CD2 3.94Å; I65-L102 HydrophobicContact CB-CD2 4.39Å; I65-L102 HydrophobicContact CG2-CD2 3.89Å |
| 66 | D | 94 | Very high | 93.5 | Very high | 54 Ų | 54 | 51.6 Ų | 51.6 | 29% | 0.289 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 122.1 | 168.4 | -67.5 | -27 | 0 | 0 | 0 | 109.7 | V6 K8 Y68 Q73 | V6-D66 HydrophobicContact CG1-CB 3.74Å; K8-D66 WeakPolarHBondContact CG-OD1 3.32Å; K8-D66 IonicContact NZ-OD1 2.57Å; K8-D66 PolarHBondContact NZ-OD1 2.92Å; K8-D66 IonicContact NZ-OD2 2.83Å; D66-Y68 HydrophobicContact CB-CD2 4.39Å; D66-Y68 HydrophobicContact CB-CE2 3.55Å; D66-Y68 WeakPolarHBondContact O-CD2 3.29Å; D66-Q73 PolarHBondContact O-NE2 2.97Å |
| 67 | Y | 93.3 | Very high | 93.7 | Very high | 57 Ų | 57 | 47.6 Ų | 47.6 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 121.5 | 176.4 | 176.2 | -125.9 | 0 | 0 | 0 | 110.5 | V6 T7 F69 L102 V106 | V6-Y67 WeakPolarHBondContact CA-O 3.43Å; T7-Y67 PolarHBondContact N-O 3.2Å; T7-Y67 VanDerWaalsContact N-O 3.14Å; T7-Y67 WeakPolarHBondContact O-CB 3.45Å; T7-Y67 PolarHBondContact O-N 3.14Å; Y67-F69 HydrophobicContact CE1-CB 4.44Å; Y67-L102 HydrophobicContact CD2-CD2 3.78Å; Y67-L102 HydrophobicContact CD2-CG 3.86Å; Y67-L102 HydrophobicContact CG-CD2 4.29Å; Y67-V106 HydrophobicContact CE1-CG1 4.33Å |
| 68 | Y | 92.3 | Very high | 93.8 | Very high | 66 Ų | 66 | 47.6 Ų | 47.6 | 26% | 0.259 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 108.8 | 176.7 | -60.7 | -94.8 | 0 | 0 | 0 | 108.3 | Q4 V6 D66 E70 V71 | Q4-Y68 HydrophobicContact CG-CD1 4.37Å; V6-Y68 HydrophobicContact CB-CE1 4.37Å; V6-Y68 HydrophobicContact CG1-CE1 4.13Å; V6-Y68 HydrophobicContact CG2-CD1 3.59Å; V6-Y68 HydrophobicContact CG2-CE1 3.31Å; D66-Y68 HydrophobicContact CB-CD2 4.39Å; D66-Y68 HydrophobicContact CB-CE2 3.55Å; D66-Y68 WeakPolarHBondContact O-CD2 3.29Å; Y68-E70 PolarHBondContact O-N 2.69Å; Y68-V71 PolarHBondContact O-N 3.39Å |
| 69 | F | 87.1 | Confident | 93.9 | Very high | 132 Ų | 132 | 43.9 Ų | 43.9 | 58% | 0.579 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -31 | -173.2 | 81.6 | -88.7 | 0 | 0 | 0 | 112.9 | C5 Y67 V71 | C5-F69 HydrophobicContact CB-CD1 3.8Å; C5-F69 HydrophobicContact CB-CE1 3.89Å; Y67-F69 HydrophobicContact CE1-CB 4.44Å; F69-V71 VanDerWaalsContact C-N 3.31Å |
| 70 | E | 88.4 | Confident | 93.8 | Very high | 88 Ų | 88 | 44.8 Ų | 44.8 | 41% | 0.411 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -5.8 | -179.3 | 70.5 | -86.5 | -162.2 | 0 | 0 | 113.9 | Q4 Y68 | Q4-E70 WeakPolarHBondContact CG-OE1 3.15Å; Y68-E70 PolarHBondContact O-N 2.69Å |
| 71 | V | 89.6 | Confident | 93.7 | Very high | 53 Ų | 53 | 43.7 Ų | 43.7 | 32% | 0.321 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -114.6 | 130.8 | -175.8 | -174.9 | 0 | 0 | 0 | 0 | 111 | Y68 F69 Q73 | Y68-V71 PolarHBondContact O-N 3.39Å; F69-V71 VanDerWaalsContact C-N 3.31Å; V71-Q73 HydrophobicContact CB-CG 4.28Å; V71-Q73 HydrophobicContact CG1-CG 4.04Å; V71-Q73 PolarHBondContact O-N 2.89Å |
| 72 | V | 92.1 | Very high | 93.2 | Very high | 100 Ų | 100 | 41 Ų | 41 | 61% | 0.606 | 20% | 0.199 | S | C | * | . | trans | -76.6 | 92.6 | 168.7 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | K74 T101 | V72-K74 HydrophobicContact CG1-CG 4.39Å; V72-K74 PolarHBondContact O-N 2.78Å; V72-T101 HydrophobicContact CG1-CG2 4.01Å | ||
| 73 | Q | 94.4 | Very high | 92.2 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 3% | 0.028 | 21% | 0.214 | C | C | . | . | trans | -85.5 | 104.4 | 176.2 | -61.8 | 172.8 | -104.3 | 0 | 0 | 110.1 | L35 T37 D66 V71 T101 L102 | L35-Q73 HydrophobicContact CD1-CB 4.06Å; T37-Q73 HydrophobicContact CG2-CB 4.33Å; T37-Q73 HydrophobicContact CG2-CG 3.91Å; D66-Q73 PolarHBondContact O-NE2 2.97Å; V71-Q73 HydrophobicContact CB-CG 4.28Å; V71-Q73 HydrophobicContact CG1-CG 4.04Å; V71-Q73 PolarHBondContact O-N 2.89Å; Q73-T101 CarbonylContact O-C 3.53Å; Q73-T101 VanDerWaalsContact O-CA 3.3Å; Q73-T101 WeakPolarHBondContact O-CA 3.17Å; Q73-L102 HydrophobicContact CB-CB 4.02Å; Q73-L102 PolarHBondContact O-N 2.97Å | ||
| 74 | K | 96.8 | Very high | 90.4 | Very high | 99 Ų | 99 | 48 Ų | 48 | 43% | 0.43 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 133.2 | 176.4 | -61.2 | -179 | 179.3 | -180 | 0 | 110.1 | L35 N36 W42 V72 T101 | L35-K74 WeakPolarHBondContact CA-O 3.35Å; L35-K74 WeakPolarHBondContact CD1-O 3.49Å; N36-K74 HydrophobicContact CB-CB 4.36Å; N36-K74 PolarHBondContact N-O 3.43Å; N36-K74 WeakPolarHBondContact O-CB 3.09Å; N36-K74 PolarHBondContact O-N 2.99Å; W42-K74 HydrophobicContact CH2-CB 3.77Å; W42-K74 HydrophobicContact CZ3-CB 4.23Å; W42-K74 WeakPolarHBondContact CZ3-O 3.39Å; V72-K74 HydrophobicContact CG1-CG 4.39Å; V72-K74 PolarHBondContact O-N 2.78Å; K74-T101 HydrophobicContact CG-CG2 4.5Å |
| 75 | L | 97.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 141.4 | 177.8 | -57.5 | -179.7 | 0 | 0 | 0 | 109.7 | L11 L33 F34 L35 I65 F77 E99 C100 L102 I105 | L11-L75 HydrophobicContact CD1-CD1 3.93Å; L33-L75 HydrophobicContact CD1-CB 4.3Å; L33-L75 HydrophobicContact CD1-CD2 4.16Å; F34-L75 WeakPolarHBondContact O-CA 3.47Å; L35-L75 HydrophobicContact CB-CD2 4.34Å; L35-L75 HydrophobicContact CD1-CD2 3.64Å; L35-L75 HydrophobicContact CG-CD2 4.48Å; I65-L75 HydrophobicContact CD1-CD1 4.2Å; I65-L75 HydrophobicContact CD1-CD2 3.94Å; L75-F77 HydrophobicContact CB-CE2 3.82Å; L75-F77 HydrophobicContact CB-CZ 4.4Å; L75-F77 HydrophobicContact CD1-CE2 4.21Å; L75-F77 HydrophobicContact CD1-CZ 4.15Å; L75-E99 WeakPolarHBondContact O-CA 3.43Å; L75-C100 PolarHBondContact N-O 2.9Å; L75-C100 PolarHBondContact O-N 3.09Å; L75-C100 VanDerWaalsContact O-O 3.04Å; L75-L102 HydrophobicContact CD1-CB 3.97Å; L75-L102 HydrophobicContact CD1-CD1 4.06Å; L75-L102 HydrophobicContact CG-CB 4.36Å; L75-I105 HydrophobicContact CD1-CD1 3.8Å |
| 76 | K | 97.5 | Very high | 87 | Confident | 30 Ų | 30 | 56.3 Ų | 56.3 | 13% | 0.13 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 127.2 | 169.5 | 168.9 | -174.9 | -62.8 | -122.6 | 0 | 108.1 | F34 W42 E97 C98 E99 | F34-K76 HydrophobicContact CB-CB 4.15Å; F34-K76 HydrophobicContact CD2-CB 4.49Å; F34-K76 HydrophobicContact CD2-CD 4.18Å; F34-K76 HydrophobicContact CD2-CG 4.15Å; F34-K76 PolarHBondContact N-O 2.79Å; F34-K76 PolarHBondContact O-N 3.39Å; W42-K76 HydrophobicContact CD2-CB 4.45Å; W42-K76 HydrophobicContact CE3-CB 3.95Å; W42-K76 HydrophobicContact CH2-CB 3.69Å; W42-K76 HydrophobicContact CZ2-CB 4.22Å; W42-K76 HydrophobicContact CZ3-CB 3.56Å; K76-E97 WeakPolarHBondContact CD-OE2 3.39Å; K76-E97 VanDerWaalsContact NZ-CD 3.28Å; K76-E97 IonicContact NZ-OE1 3.15Å; K76-E97 PolarHBondContact NZ-OE1 3.18Å; K76-E97 IonicContact NZ-OE2 2.82Å; K76-E97 PolarHBondContact NZ-OE2 3.13Å; K76-C98 WeakPolarHBondContact CA-O 2.89Å; K76-E99 HydrophobicContact CB-CG 4.11Å; K76-E99 WeakPolarHBondContact CE-OE1 3.49Å; K76-E99 HydrophobicContact CG-CG 4.23Å; K76-E99 IonicContact NZ-OE1 3.37Å; K76-E99 PolarHBondContact NZ-OE1 2.8Å |
| 77 | F | 98.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 111.1 | 174 | -62.2 | -96.1 | 0 | 0 | 0 | 107.3 | L11 V13 V32 L33 F63 L75 E97 C98 I105 I128 I130 | L11-F77 HydrophobicContact CD1-CZ 4.1Å; V13-F77 HydrophobicContact CG2-CD1 4.07Å; V13-F77 HydrophobicContact CG2-CE1 3.84Å; V32-F77 CarbonylContact O-C 3.33Å; V32-F77 WeakPolarHBondContact O-CA 3.26Å; L33-F77 HydrophobicContact CD1-CD1 4.05Å; L33-F77 HydrophobicContact CD1-CE1 3.65Å; L33-F77 HydrophobicContact CD1-CE2 4.25Å; L33-F77 HydrophobicContact CD1-CZ 3.75Å; F63-F77 HydrophobicContact CD2-CE1 4.27Å; F63-F77 HydrophobicContact CE2-CD1 4.47Å; F63-F77 HydrophobicContact CE2-CE1 4.34Å; L75-F77 HydrophobicContact CB-CE2 3.82Å; L75-F77 HydrophobicContact CB-CZ 4.4Å; L75-F77 HydrophobicContact CD1-CE2 4.21Å; L75-F77 HydrophobicContact CD1-CZ 4.15Å; F77-E97 CarbonylContact O-C 3.51Å; F77-E97 WeakPolarHBondContact O-CA 3.46Å; F77-E97 WeakPolarHBondContact O-CB 3.49Å; F77-C98 PolarHBondContact N-O 2.72Å; F77-C98 PolarHBondContact O-N 2.81Å; F77-I105 HydrophobicContact CE2-CD1 4.04Å; F77-I105 HydrophobicContact CZ-CD1 4.09Å; F77-I128 HydrophobicContact CB-CD1 3.59Å; F77-I128 HydrophobicContact CD1-CD1 4.37Å; F77-I128 HydrophobicContact CG-CD1 4.08Å; F77-I130 HydrophobicContact CD1-CG1 4.35Å; F77-I130 HydrophobicContact CD2-CD1 4.38Å; F77-I130 HydrophobicContact CD2-CG1 4.3Å; F77-I130 HydrophobicContact CE1-CG1 4.08Å; F77-I130 HydrophobicContact CE1-CG2 4.3Å; F77-I130 HydrophobicContact CE2-CD1 4.4Å; F77-I130 HydrophobicContact CE2-CG1 4.05Å; F77-I130 HydrophobicContact CG-CG1 4.45Å; F77-I130 HydrophobicContact CZ-CG1 3.93Å; F77-I130 HydrophobicContact CZ-CG2 3.98Å |
| 78 | G | 96.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 134.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | C31 V32 | C31-G78 CarbonylContact C-O 3.47Å; C31-G78 WeakPolarHBondContact CA-O 3.42Å; V32-G78 PolarHBondContact N-O 2.98Å; V32-G78 PolarHBondContact O-N 2.76Å |
| 79 | V | 96.6 | Very high | 83 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 130.7 | 175.4 | -170.9 | 0 | 0 | 0 | 0 | 108.2 | L18 P29 L30 L95 G96 L115 I128 | L18-V79 HydrophobicContact CD1-CG1 4.07Å; L18-V79 HydrophobicContact CD2-CG1 4.25Å; P29-V79 HydrophobicContact CB-CG1 4.28Å; L30-V79 WeakPolarHBondContact O-CA 3.38Å; V79-L95 HydrophobicContact CB-CB 4.25Å; V79-L95 HydrophobicContact CG1-CB 4.09Å; V79-L95 HydrophobicContact CG1-CD1 4.14Å; V79-L95 WeakPolarHBondContact O-CA 3.46Å; V79-L95 WeakPolarHBondContact O-CB 3.49Å; V79-L95 PolarHBondContact O-N 2.87Å; V79-G96 PolarHBondContact N-O 3.35Å; V79-G96 PolarHBondContact O-N 3.15Å; V79-L115 HydrophobicContact CG2-CD1 4.17Å; V79-L115 HydrophobicContact CG2-CD2 4.02Å; V79-I128 HydrophobicContact CG2-CD1 4.42Å |
| 80 | Y | 93.6 | Very high | 82.2 | Confident | 20 Ų | 20 | 60.3 Ų | 60.3 | 8% | 0.078 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 144.8 | -175.4 | -60.5 | -99.2 | 0 | 0 | 0 | 109.7 | P29 L30 V32 L89 D93 F94 | P29-Y80 CarbonylContact C-O 3.58Å; P29-Y80 VanDerWaalsContact CA-O 3.27Å; P29-Y80 WeakPolarHBondContact CA-O 3.42Å; L30-Y80 PolarHBondContact N-O 2.76Å; L30-Y80 PolarHBondContact O-N 2.77Å; V32-Y80 HydrophobicContact CB-CE2 4.14Å; V32-Y80 HydrophobicContact CG2-CD2 3.71Å; V32-Y80 HydrophobicContact CG2-CE2 3.7Å; Y80-L89 HydrophobicContact CD1-CB 4.08Å; Y80-L89 HydrophobicContact CD1-CD2 4.1Å; Y80-L89 HydrophobicContact CD2-CD1 4.44Å; Y80-L89 HydrophobicContact CD2-CD2 4.04Å; Y80-L89 HydrophobicContact CE1-CB 3.97Å; Y80-L89 HydrophobicContact CE2-CD1 4.19Å; Y80-L89 HydrophobicContact CG-CD2 3.8Å; Y80-D93 CarbonylContact C-O 3.5Å; Y80-D93 WeakPolarHBondContact CA-O 3.39Å; Y80-D93 HydrophobicContact CD1-CB 4.43Å; Y80-F94 HydrophobicContact CD1-CB 4.45Å; Y80-F94 HydrophobicContact CD1-CD2 4.03Å; Y80-F94 HydrophobicContact CE1-CB 4.45Å; Y80-F94 AromaticContact CE1-CD2 3.6Å; Y80-F94 HydrophobicContact CE1-CD2 3.6Å; Y80-F94 HydrophobicContact CE1-CE2 4.38Å; Y80-F94 HydrophobicContact CE2-CD2 4.46Å; Y80-F94 AromaticContact CZ-CD2 3.84Å |
| 81 | D | 90.4 | Very high | 81.2 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 136 | 165.5 | -156.1 | -9.1 | 0 | 0 | 0 | 108.6 | S27 D28 D93 L95 | S27-D81 WeakPolarHBondContact CA-OD1 3.37Å; S27-D81 WeakPolarHBondContact CA-OD2 3.16Å; S27-D81 VanDerWaalsContact CB-CG 3.49Å; S27-D81 WeakPolarHBondContact CB-OD2 3.47Å; S27-D81 PolarHBondContact OG-OD2 3.09Å; D28-D81 WeakPolarHBondContact CA-OD1 3.42Å; D28-D81 PolarHBondContact N-OD1 2.74Å; D81-D93 PolarHBondContact N-O 2.8Å; D81-D93 WeakPolarHBondContact O-CB 3.47Å; D81-L95 HydrophobicContact CB-CD1 4.04Å; D81-L95 HydrophobicContact CB-CD2 4.13Å; D81-L95 HydrophobicContact CB-CG 4.05Å |
| 82 | I | 83.4 | Confident | 80.2 | Confident | 19 Ų | 19 | 65 Ų | 65 | 10% | 0.097 | 33% | 0.333 | C | S | . | . | trans | -119.1 | 84.2 | -180 | -56.9 | -69.5 | 0 | 0 | 0 | 109.1 | D28 L30 R50 N84 L89 | D28-I82 PolarHBondContact O-N 3.35Å; D28-I82 VanDerWaalsContact O-N 3.14Å; L30-I82 HydrophobicContact CB-CG1 4.03Å; R50-I82 HydrophobicContact CG-CB 4.32Å; R50-I82 PolarHBondContact NH1-O 2.69Å; I82-N84 PolarHBondContact O-N 3.45Å; I82-L89 HydrophobicContact CD1-CD2 3.76Å | ||
| 83 | D | 71.4 | Confident | 79.7 | Confident | 83 Ų | 83 | 61 Ų | 61 | 44% | 0.444 | 31% | 0.308 | S | S | . | . | trans | -60 | 104.5 | 172.7 | -50.6 | 11.6 | 0 | 0 | 0 | 107.7 | K85 | D83-K85 PolarHBondContact O-N 3.18Š| ||
| 84 | N | 58.1 | Low | 79.5 | Confident | 86 Ų | 86 | 60.9 Ų | 60.9 | 46% | 0.46 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.5 | 93.5 | -172.7 | -75.8 | -77.6 | 0 | 0 | 0 | 114.8 | D28 R50 I82 | D28-N84 PolarHBondContact OD2-ND2 2.8Å; D28-N84 VanDerWaalsContact OD2-ND2 3.11Å; R50-N84 PolarHBondContact NH1-OD1 3.01Å; R50-N84 PolarHBondContact NH2-OD1 3.35Å; I82-N84 PolarHBondContact O-N 3.45Å |
| 85 | K | 56.6 | Low | 79.3 | Confident | 207 Ų | 207 | 56.2 Ų | 56.2 | 90% | 0.9 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -174.5 | -25.2 | 156.7 | -101.2 | 153.2 | -155.5 | -175.6 | 0 | 115.2 | D83 | D83-K85 PolarHBondContact O-N 3.18Š|
| 86 | T | 58.1 | Low | 79.3 | Confident | 83 Ų | 83 | 56.2 Ų | 56.2 | 51% | 0.509 | 29% | 0.287 | S | S | . | . | trans | -131 | 146.3 | -177.6 | 47.4 | 0 | 0 | 0 | 0 | 112 | E88 | T86-E88 VanDerWaalsContact C-N 3.29Š| ||
| 87 | I | 60 | Low | 79.3 | Confident | 148 Ų | 148 | 56.1 Ų | 56.1 | 76% | 0.759 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -86.2 | -10.9 | 174.1 | -56.6 | 167.4 | 0 | 0 | 0 | 110.6 | R47 L89 | R47-I87 PolarHBondContact NH1-O 3.24Å; I87-L89 PolarHBondContact O-N 3.2Å |
| 88 | E | 67.4 | Low | 79.2 | Confident | 157 Ų | 157 | 56.3 Ų | 56.3 | 73% | 0.734 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -71.1 | 127.4 | 179 | -63.9 | -173.7 | 177.9 | 0 | 0 | 109.8 | T86 S90 | T86-E88 VanDerWaalsContact C-N 3.29Å; E88-S90 PolarHBondContact O-N 2.92Å |
| 89 | L | 69.9 | Low | 79.2 | Confident | 41 Ų | 41 | 60.5 Ų | 60.5 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | trans | -80.7 | 105.7 | 175.4 | -59 | 170.6 | 0 | 0 | 0 | 107.1 | V32 Y80 I82 I87 | V32-L89 HydrophobicContact CG1-CD1 4.49Å; V32-L89 HydrophobicContact CG2-CD1 3.69Å; V32-L89 HydrophobicContact CG2-CD2 4.38Å; Y80-L89 HydrophobicContact CD1-CB 4.08Å; Y80-L89 HydrophobicContact CD1-CD2 4.1Å; Y80-L89 HydrophobicContact CD2-CD1 4.44Å; Y80-L89 HydrophobicContact CD2-CD2 4.04Å; Y80-L89 HydrophobicContact CE1-CB 3.97Å; Y80-L89 HydrophobicContact CE2-CD1 4.19Å; Y80-L89 HydrophobicContact CG-CD2 3.8Å; I82-L89 HydrophobicContact CD1-CD2 3.76Å; I87-L89 PolarHBondContact O-N 3.2Å | ||
| 90 | S | 70.1 | Confident | 79.2 | Confident | 46 Ų | 46 | 60.9 Ų | 60.9 | 32% | 0.322 | 31% | 0.311 | S | S | . | . | trans | -91.6 | 166.3 | 174.6 | 81.8 | 0 | 0 | 0 | 0 | 111.1 | E88 D92 D93 | E88-S90 PolarHBondContact O-N 2.92Å; S90-D92 VanDerWaalsContact C-N 3.25Å; S90-D92 PolarHBondContact OG-N 2.86Å; S90-D93 WeakPolarHBondContact CB-OD2 3.36Å; S90-D93 PolarHBondContact N-OD2 2.94Å; S90-D93 PolarHBondContact O-N 3.33Å; S90-D93 PolarHBondContact OG-N 3.25Å; S90-D93 PolarHBondContact OG-OD2 2.95Å | ||
| 91 | D | 66.4 | Low | 79.3 | Confident | 103 Ų | 103 | 61.7 Ų | 61.7 | 55% | 0.551 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -71.6 | -26.2 | 175.9 | -81.1 | 18.3 | 0 | 0 | 0 | 112 | D93 F94 K118 | D91-D93 PolarHBondContact O-N 2.93Å; D91-F94 VanDerWaalsContact O-CB 3.3Å; D91-F94 WeakPolarHBondContact O-CB 3.31Å; D91-F94 PolarHBondContact O-N 2.89Å; D91-K118 IonicContact OD1-NZ 2.89Å; D91-K118 PolarHBondContact OD1-NZ 2.71Å; D91-K118 IonicContact OD2-NZ 2.74Å; D91-K118 PolarHBondContact OD2-NZ 2.87Å |
| 92 | D | 69.2 | Low | 79.6 | Confident | 138 Ų | 138 | 61.7 Ų | 61.7 | 74% | 0.738 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -26 | 179.3 | -65.6 | -28.3 | 0 | 0 | 0 | 111.4 | K21 S90 F94 | K21-D92 PolarHBondContact NZ-O 2.94Å; S90-D92 VanDerWaalsContact C-N 3.25Å; S90-D92 PolarHBondContact OG-N 2.86Å; D92-F94 VanDerWaalsContact C-N 3.35Å |
| 93 | D | 81.2 | Confident | 80.1 | Confident | 14 Ų | 14 | 62 Ų | 62 | 8% | 0.075 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -9.8 | 177.5 | -63.1 | -27.6 | 0 | 0 | 0 | 113.3 | Y80 D81 S90 D91 L95 | Y80-D93 CarbonylContact C-O 3.5Å; Y80-D93 WeakPolarHBondContact CA-O 3.39Å; Y80-D93 HydrophobicContact CD1-CB 4.43Å; D81-D93 PolarHBondContact N-O 2.8Å; D81-D93 WeakPolarHBondContact O-CB 3.47Å; S90-D93 WeakPolarHBondContact CB-OD2 3.36Å; S90-D93 PolarHBondContact N-OD2 2.94Å; S90-D93 PolarHBondContact O-N 3.33Å; S90-D93 PolarHBondContact OG-N 3.25Å; S90-D93 PolarHBondContact OG-OD2 2.95Å; D91-D93 PolarHBondContact O-N 2.93Å; D93-L95 PolarHBondContact O-N 3.43Å |
| 94 | F | 90.6 | Very high | 81.3 | Confident | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 116.5 | -166.5 | -173.5 | -111.8 | 0 | 0 | 0 | 114.1 | K21 Y80 D91 D92 E97 M117 K118 | K21-F94 VanDerWaalsContact CE-O 3.24Å; K21-F94 WeakPolarHBondContact CE-O 3.27Å; K21-F94 PolarHBondContact NZ-O 2.74Å; Y80-F94 HydrophobicContact CD1-CB 4.45Å; Y80-F94 HydrophobicContact CD1-CD2 4.03Å; Y80-F94 HydrophobicContact CE1-CB 4.45Å; Y80-F94 AromaticContact CE1-CD2 3.6Å; Y80-F94 HydrophobicContact CE1-CD2 3.6Å; Y80-F94 HydrophobicContact CE1-CE2 4.38Å; Y80-F94 HydrophobicContact CE2-CD2 4.46Å; Y80-F94 AromaticContact CZ-CD2 3.84Å; D91-F94 VanDerWaalsContact O-CB 3.3Å; D91-F94 WeakPolarHBondContact O-CB 3.31Å; D91-F94 PolarHBondContact O-N 2.89Å; D92-F94 VanDerWaalsContact C-N 3.35Å; F94-E97 HydrophobicContact CE2-CB 4.17Å; F94-E97 HydrophobicContact CZ-CB 3.66Å; F94-E97 HydrophobicContact CZ-CG 3.81Å; F94-M117 HydrophobicContact CD1-CE 4.21Å; F94-K118 HydrophobicContact CD1-CG 4.15Å; F94-K118 HydrophobicContact CE1-CG 3.73Å; F94-K118 HydrophobicContact CZ-CG 4.06Å |
| 95 | L | 93.1 | Very high | 83.1 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -16.4 | 179.6 | -62.6 | 178.5 | 0 | 0 | 0 | 113.3 | L18 L19 K21 P29 V79 D81 D93 A123 | L18-L95 HydrophobicContact CD1-CD1 4.19Å; L19-L95 HydrophobicContact CB-CD2 4.28Å; K21-L95 HydrophobicContact CD-CD2 3.9Å; K21-L95 HydrophobicContact CG-CD2 3.91Å; P29-L95 HydrophobicContact CB-CD1 4.23Å; V79-L95 HydrophobicContact CB-CB 4.25Å; V79-L95 HydrophobicContact CG1-CB 4.09Å; V79-L95 HydrophobicContact CG1-CD1 4.14Å; V79-L95 WeakPolarHBondContact O-CA 3.46Å; V79-L95 WeakPolarHBondContact O-CB 3.49Å; V79-L95 PolarHBondContact O-N 2.87Å; D81-L95 HydrophobicContact CB-CD1 4.04Å; D81-L95 HydrophobicContact CB-CD2 4.13Å; D81-L95 HydrophobicContact CB-CG 4.05Å; D93-L95 PolarHBondContact O-N 3.43Å; L95-A123 WeakPolarHBondContact O-CB 3.31Å |
| 96 | G | 95.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 141.7 | 168.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V79 V116 | V79-G96 PolarHBondContact N-O 3.35Å; V79-G96 PolarHBondContact O-N 3.15Å; G96-V116 CarbonylContact C-O 3.6Å; G96-V116 VanDerWaalsContact CA-O 3.29Å; G96-V116 WeakPolarHBondContact CA-O 3.15Å |
| 97 | E | 97.4 | Very high | 86.5 | Confident | 28 Ų | 28 | 50.6 Ų | 50.6 | 13% | 0.131 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 162.6 | 175.2 | 63.4 | -180 | -153.8 | 0 | 0 | 113.1 | K76 F77 F94 V116 | K76-E97 WeakPolarHBondContact CD-OE2 3.39Å; K76-E97 VanDerWaalsContact NZ-CD 3.28Å; K76-E97 IonicContact NZ-OE1 3.15Å; K76-E97 PolarHBondContact NZ-OE1 3.18Å; K76-E97 IonicContact NZ-OE2 2.82Å; K76-E97 PolarHBondContact NZ-OE2 3.13Å; F77-E97 CarbonylContact O-C 3.51Å; F77-E97 WeakPolarHBondContact O-CA 3.46Å; F77-E97 WeakPolarHBondContact O-CB 3.49Å; F94-E97 HydrophobicContact CE2-CB 4.17Å; F94-E97 HydrophobicContact CZ-CB 3.66Å; F94-E97 HydrophobicContact CZ-CG 3.81Å; E97-V116 HydrophobicContact CG-CG2 4.15Å; E97-V116 PolarHBondContact N-O 3.37Å; E97-V116 WeakPolarHBondContact O-CG2 3.45Å; E97-V116 PolarHBondContact O-N 2.89Å |
| 98 | C | 97.5 | Very high | 88 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.034 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 128.7 | 167.3 | 171.8 | 0 | 0 | 0 | 0 | 109.9 | K76 F77 L115 I128 | K76-C98 WeakPolarHBondContact CA-O 2.89Å; F77-C98 PolarHBondContact N-O 2.72Å; F77-C98 PolarHBondContact O-N 2.81Å; C98-L115 HydrophobicContact CB-CD2 4.37Å; C98-I128 HydrophobicContact CB-CG2 3.5Å; C98-I128 VanDerWaalsContact CB-CG2 3.5Å |
| 99 | E | 96.9 | Very high | 89.1 | Confident | 87 Ų | 87 | 45.9 Ų | 45.9 | 41% | 0.407 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 138.2 | 170.7 | -63.7 | -168.2 | -173.2 | 0 | 0 | 111.3 | L75 K76 R113 | L75-E99 WeakPolarHBondContact O-CA 3.43Å; K76-E99 HydrophobicContact CB-CG 4.11Å; K76-E99 WeakPolarHBondContact CE-OE1 3.49Å; K76-E99 HydrophobicContact CG-CG 4.23Å; K76-E99 IonicContact NZ-OE1 3.37Å; K76-E99 PolarHBondContact NZ-OE1 2.8Å; E99-R113 PolarHBondContact O-NH1 3.01Å |
| 100 | C | 96.6 | Very high | 90.2 | Very high | 9 Ų | 9 | 48.7 Ų | 48.7 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 179.1 | 174.5 | 59.1 | 0 | 0 | 0 | 0 | 110.4 | L75 L111 | L75-C100 PolarHBondContact N-O 2.9Å; L75-C100 PolarHBondContact O-N 3.09Å; L75-C100 VanDerWaalsContact O-O 3.04Å; C100-L111 HydrophobicContact CB-CD2 3.81Å |
| 101 | T | 96.1 | Very high | 91.4 | Very high | 37 Ų | 37 | 47.7 Ų | 47.7 | 23% | 0.227 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 150.2 | 170.1 | 69.6 | 0 | 0 | 0 | 0 | 110.9 | V72 Q73 K74 G103 Q104 I105 | V72-T101 HydrophobicContact CG1-CG2 4.01Å; Q73-T101 CarbonylContact O-C 3.53Å; Q73-T101 VanDerWaalsContact O-CA 3.3Å; Q73-T101 WeakPolarHBondContact O-CA 3.17Å; K74-T101 HydrophobicContact CG-CG2 4.5Å; T101-G103 PolarHBondContact O-N 2.95Å; T101-Q104 WeakPolarHBondContact O-CB 3.35Å; T101-Q104 PolarHBondContact O-N 2.97Å; T101-Q104 VanDerWaalsContact OG1-CG 3.32Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.19Å; T101-Q104 PolarHBondContact OG1-N 2.8Å; T101-I105 PolarHBondContact O-N 3.47Å |
| 102 | L | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.5 | -38.6 | 175.8 | -178.8 | 54.7 | 0 | 0 | 0 | 111.4 | L11 I65 Y67 Q73 L75 Q104 I105 V106 | L11-L102 HydrophobicContact CD1-CD1 4.28Å; L11-L102 HydrophobicContact CD2-CD1 4.17Å; I65-L102 HydrophobicContact CB-CD2 4.39Å; I65-L102 HydrophobicContact CG2-CD2 3.89Å; Y67-L102 HydrophobicContact CD2-CD2 3.78Å; Y67-L102 HydrophobicContact CD2-CG 3.86Å; Y67-L102 HydrophobicContact CG-CD2 4.29Å; Q73-L102 HydrophobicContact CB-CB 4.02Å; Q73-L102 PolarHBondContact O-N 2.97Å; L75-L102 HydrophobicContact CD1-CB 3.97Å; L75-L102 HydrophobicContact CD1-CD1 4.06Å; L75-L102 HydrophobicContact CG-CB 4.36Å; L102-Q104 VanDerWaalsContact C-N 3.31Å; L102-Q104 PolarHBondContact O-N 2.89Å; L102-I105 PolarHBondContact O-N 3.25Å; L102-V106 HydrophobicContact CD1-CG2 3.9Å; L102-V106 HydrophobicContact CG-CG2 4.14Å; L102-V106 WeakPolarHBondContact O-CG2 3.34Å; L102-V106 PolarHBondContact O-N 3.42Å |
| 103 | G | 94.9 | Very high | 94.2 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 26% | 0.258 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60 | -35.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | T101 S107 | T101-G103 PolarHBondContact O-N 2.95Å; G103-S107 VanDerWaalsContact O-CB 3.28Å; G103-S107 WeakPolarHBondContact O-CB 3.47Å; G103-S107 PolarHBondContact O-N 2.87Å; G103-S107 PolarHBondContact O-OG 2.82Å |
| 104 | Q | 95.4 | Very high | 95 | Very high | 76 Ų | 76 | 48.1 Ų | 48.1 | 36% | 0.355 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 174.6 | -76 | 169.7 | -30.5 | 0 | 0 | 111.8 | T101 L102 S107 S108 | T101-Q104 WeakPolarHBondContact O-CB 3.35Å; T101-Q104 PolarHBondContact O-N 2.97Å; T101-Q104 VanDerWaalsContact OG1-CG 3.32Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.19Å; T101-Q104 PolarHBondContact OG1-N 2.8Å; L102-Q104 VanDerWaalsContact C-N 3.31Å; L102-Q104 PolarHBondContact O-N 2.89Å; Q104-S107 PolarHBondContact O-OG 3.42Å; Q104-S108 PolarHBondContact O-N 2.48Å; Q104-S108 PolarHBondContact O-OG 3.49Å |
| 105 | I | 95.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.6 | -45.5 | -179.6 | -44.8 | 178.4 | 0 | 0 | 0 | 110.7 | L11 L75 F77 T101 L102 S107 S108 K109 L111 I130 A132 | L11-I105 HydrophobicContact CD1-CD1 4.43Å; L11-I105 HydrophobicContact CD2-CG2 4.29Å; L75-I105 HydrophobicContact CD1-CD1 3.8Å; F77-I105 HydrophobicContact CE2-CD1 4.04Å; F77-I105 HydrophobicContact CZ-CD1 4.09Å; T101-I105 PolarHBondContact O-N 3.47Å; L102-I105 PolarHBondContact O-N 3.25Å; I105-S107 VanDerWaalsContact C-N 3.34Å; I105-S107 PolarHBondContact O-N 2.87Å; I105-S108 PolarHBondContact O-N 2.89Å; I105-K109 WeakPolarHBondContact O-CA 3.42Å; I105-K109 PolarHBondContact O-N 3.49Å; I105-L111 HydrophobicContact CG1-CD2 4.01Å; I105-L111 HydrophobicContact CG2-CB 4.49Å; I105-I130 HydrophobicContact CD1-CB 4.3Å; I105-I130 HydrophobicContact CD1-CG2 3.89Å; I105-I130 HydrophobicContact CG2-CB 4.25Å; I105-I130 HydrophobicContact CG2-CG2 3.91Å; I105-A132 HydrophobicContact CB-CB 4.4Å; I105-A132 HydrophobicContact CG2-CB 3.68Å |
| 106 | V | 93.9 | Very high | 95.5 | Very high | 45 Ų | 45 | 50 Ų | 50 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | -179.7 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | V9 Y67 L102 A132 | V9-V106 HydrophobicContact CG1-CG2 4.12Å; V9-V106 HydrophobicContact CG2-CG2 4.09Å; Y67-V106 HydrophobicContact CE1-CG1 4.33Å; L102-V106 HydrophobicContact CD1-CG2 3.9Å; L102-V106 HydrophobicContact CG-CG2 4.14Å; L102-V106 WeakPolarHBondContact O-CG2 3.34Å; L102-V106 PolarHBondContact O-N 3.42Å; V106-A132 HydrophobicContact CG2-CB 4.36Å |
| 107 | S | 92.5 | Very high | 95.5 | Very high | 98 Ų | 98 | 52.5 Ų | 52.5 | 69% | 0.685 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -68.1 | -38 | 179.3 | 56.7 | 0 | 0 | 0 | 0 | 113.4 | G103 Q104 I105 | G103-S107 VanDerWaalsContact O-CB 3.28Å; G103-S107 WeakPolarHBondContact O-CB 3.47Å; G103-S107 PolarHBondContact O-N 2.87Å; G103-S107 PolarHBondContact O-OG 2.82Å; Q104-S107 PolarHBondContact O-OG 3.42Å; I105-S107 VanDerWaalsContact C-N 3.34Å; I105-S107 PolarHBondContact O-N 2.87Å |
| 108 | S | 90.9 | Very high | 95.2 | Very high | 58 Ų | 58 | 56.3 Ų | 56.3 | 41% | 0.406 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -87.5 | -12.4 | 179.1 | 75.2 | 0 | 0 | 0 | 0 | 113.8 | Q104 I105 K110 | Q104-S108 PolarHBondContact O-N 2.48Å; Q104-S108 PolarHBondContact O-OG 3.49Å; I105-S108 PolarHBondContact O-N 2.89Å; S108-K110 WeakPolarHBondContact CB-O 3.48Å; S108-K110 PolarHBondContact O-N 3.16Å; S108-K110 VanDerWaalsContact OG-C 3.3Å; S108-K110 PolarHBondContact OG-O 2.88Å |
| 109 | K | 90.4 | Very high | 94.8 | Very high | 149 Ų | 149 | 61.2 Ų | 61.2 | 65% | 0.648 | 33% | 0.333 | S | S | * | . | S | Bend | trans | 59.9 | -30 | -168.5 | -58.7 | -178.5 | 177.9 | -179.7 | 0 | 115.1 | I105 S131 A132 | I105-K109 WeakPolarHBondContact O-CA 3.42Å; I105-K109 PolarHBondContact O-N 3.49Å; K109-S131 CarbonylContact O-C 3.58Å; K109-S131 VanDerWaalsContact O-CA 3.23Å; K109-S131 WeakPolarHBondContact O-CA 3.47Å; K109-A132 PolarHBondContact O-N 2.8Å |
| 110 | K | 93.6 | Very high | 94.6 | Very high | 100 Ų | 100 | 59.7 Ų | 59.7 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 130.2 | 176.9 | -169.7 | 177.2 | -175.5 | 176.5 | 0 | 108.3 | S108 T129 I130 D171 | S108-K110 WeakPolarHBondContact CB-O 3.48Å; S108-K110 PolarHBondContact O-N 3.16Å; S108-K110 VanDerWaalsContact OG-C 3.3Å; S108-K110 PolarHBondContact OG-O 2.88Å; K110-T129 HydrophobicContact CD-CG2 4.37Å; K110-T129 HydrophobicContact CG-CG2 3.88Å; K110-I130 CarbonylContact C-O 3.54Å; K110-I130 WeakPolarHBondContact CA-O 3.29Å; K110-D171 IonicContact NZ-OD2 2.69Å; K110-D171 PolarHBondContact NZ-OD2 3.41Å |
| 111 | L | 95.8 | Very high | 94.5 | Very high | 24 Ų | 24 | 68 Ų | 68 | 13% | 0.126 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 118.1 | -179.7 | 179.9 | 66.1 | 0 | 0 | 0 | 108.6 | C100 I105 R113 T129 I130 | C100-L111 HydrophobicContact CB-CD2 3.81Å; I105-L111 HydrophobicContact CG1-CD2 4.01Å; I105-L111 HydrophobicContact CG2-CB 4.49Å; L111-R113 HydrophobicContact CD1-CG 4.25Å; L111-R113 HydrophobicContact CG-CG 4.2Å; L111-T129 CarbonylContact O-C 3.24Å; L111-T129 WeakPolarHBondContact O-CA 3.35Å; L111-I130 PolarHBondContact N-O 3.42Å; L111-I130 PolarHBondContact O-N 3.38Å |
| 112 | T | 97.2 | Very high | 94.4 | Very high | 82 Ų | 82 | 71 Ų | 71 | 50% | 0.503 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.4 | 172.5 | -59.2 | 0 | 0 | 0 | 0 | 109.4 | I128 T129 | T112-I128 CarbonylContact C-O 3.49Å; T112-I128 VanDerWaalsContact CA-O 3.31Å; T112-I128 WeakPolarHBondContact CA-O 3.45Å; T112-T129 WeakPolarHBondContact CG2-OG1 3.44Å; T112-T129 WeakPolarHBondContact OG1-CG2 3.16Å; T112-T129 PolarHBondContact OG1-OG1 3.41Å |
| 113 | R | 97.5 | Very high | 94.3 | Very high | 89 Ų | 89 | 71 Ų | 71 | 34% | 0.336 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 150.1 | 177.9 | -71.3 | -161.4 | 175.4 | -167.3 | 0.5 | 111.9 | E99 L111 S127 I128 | E99-R113 PolarHBondContact O-NH1 3.01Å; L111-R113 HydrophobicContact CD1-CG 4.25Å; L111-R113 HydrophobicContact CG-CG 4.2Å; R113-S127 CarbonylContact O-C 3.6Å; R113-S127 VanDerWaalsContact O-CA 3.31Å; R113-S127 WeakPolarHBondContact O-CA 3.27Å; R113-S127 WeakPolarHBondContact O-CB 3.49Å; R113-I128 PolarHBondContact N-O 2.79Å; R113-I128 PolarHBondContact O-N 2.89Å |
| 114 | P | 97.7 | Very high | 94.2 | Very high | 93 Ų | 93 | 72 Ų | 72 | 60% | 0.604 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 145 | 167.8 | 29.4 | -34.2 | 0 | 0 | 0 | 110 | ||
| 115 | L | 97.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.005 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 145.3 | 169.7 | -71.8 | 168.5 | 0 | 0 | 0 | 109.8 | L18 V79 C98 A123 G126 I128 | L18-L115 HydrophobicContact CD2-CD1 3.39Å; V79-L115 HydrophobicContact CG2-CD1 4.17Å; V79-L115 HydrophobicContact CG2-CD2 4.02Å; C98-L115 HydrophobicContact CB-CD2 4.37Å; L115-A123 HydrophobicContact CB-CB 3.93Å; L115-A123 WeakPolarHBondContact O-CB 3.4Å; L115-A123 PolarHBondContact O-N 2.82Å; L115-G126 PolarHBondContact N-O 2.81Å; L115-I128 HydrophobicContact CD2-CB 3.94Å; L115-I128 HydrophobicContact CD2-CG2 3.76Å; L115-I128 HydrophobicContact CG-CB 4.27Å; L115-I128 HydrophobicContact CG-CG2 4.26Å |
| 116 | V | 97.1 | Very high | 94.2 | Very high | 45 Ų | 45 | 77.2 Ų | 77.2 | 27% | 0.273 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 149 | 176.2 | -63.4 | 0 | 0 | 0 | 0 | 111.2 | G96 E97 R121 | G96-V116 CarbonylContact C-O 3.6Å; G96-V116 VanDerWaalsContact CA-O 3.29Å; G96-V116 WeakPolarHBondContact CA-O 3.15Å; E97-V116 HydrophobicContact CG-CG2 4.15Å; E97-V116 PolarHBondContact N-O 3.37Å; E97-V116 WeakPolarHBondContact O-CG2 3.45Å; E97-V116 PolarHBondContact O-N 2.89Å; V116-R121 CarbonylContact C-O 3.52Å; V116-R121 WeakPolarHBondContact CA-O 3.36Å |
| 117 | M | 94.8 | Very high | 94.4 | Very high | 52 Ų | 52 | 76.3 Ų | 76.3 | 26% | 0.256 | 42% | 0.419 | S | S | . | . | trans | -70.9 | 163 | 169.6 | -57.4 | -55.7 | -71.5 | 0 | 0 | 109.8 | L19 F94 T119 G120 R121 A123 | L19-M117 HydrophobicContact CD1-SD 4.26Å; F94-M117 HydrophobicContact CD1-CE 4.21Å; M117-T119 PolarHBondContact O-N 2.96Å; M117-G120 WeakPolarHBondContact O-CA 3.25Å; M117-G120 PolarHBondContact O-N 3.42Å; M117-R121 PolarHBondContact N-O 3.4Å; M117-A123 HydrophobicContact CG-CB 4.19Å; M117-A123 HydrophobicContact SD-CB 3.58Å; M117-A123 VanDerWaalsContact SD-CB 3.58Å | ||
| 118 | K | 91 | Very high | 94.7 | Very high | 108 Ų | 108 | 71.6 Ų | 71.6 | 47% | 0.47 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -22.7 | 173.9 | -63.5 | -173.3 | -176.5 | -176.2 | 0 | 113.8 | D91 F94 G120 | D91-K118 IonicContact OD1-NZ 2.89Å; D91-K118 PolarHBondContact OD1-NZ 2.71Å; D91-K118 IonicContact OD2-NZ 2.74Å; D91-K118 PolarHBondContact OD2-NZ 2.87Å; F94-K118 HydrophobicContact CD1-CG 4.15Å; F94-K118 HydrophobicContact CE1-CG 3.73Å; F94-K118 HydrophobicContact CZ-CG 4.06Å; K118-G120 PolarHBondContact O-N 2.86Å |
| 119 | T | 90.4 | Very high | 95 | Very high | 108 Ų | 108 | 70.1 Ų | 70.1 | 66% | 0.663 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -2.7 | 175.3 | 59.4 | 0 | 0 | 0 | 0 | 113.8 | M117 R121 | M117-T119 PolarHBondContact O-N 2.96Å; T119-R121 VanDerWaalsContact C-N 3.26Å; T119-R121 PolarHBondContact O-N 2.79Å |
| 120 | G | 91.6 | Very high | 95.4 | Very high | 54 Ų | 54 | 63 Ų | 63 | 56% | 0.557 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 80.3 | -2.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | M117 K118 | M117-G120 WeakPolarHBondContact O-CA 3.25Å; M117-G120 PolarHBondContact O-N 3.42Å; K118-G120 PolarHBondContact O-N 2.86Å |
| 121 | R | 94.1 | Very high | 95.4 | Very high | 184 Ų | 184 | 59.2 Ų | 59.2 | 69% | 0.694 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -74.8 | 152.1 | 175.7 | -64 | -177.1 | -177.4 | 177.6 | 1.4 | 110.9 | V116 M117 T119 A123 | V116-R121 CarbonylContact C-O 3.52Å; V116-R121 WeakPolarHBondContact CA-O 3.36Å; M117-R121 PolarHBondContact N-O 3.4Å; T119-R121 VanDerWaalsContact C-N 3.26Å; T119-R121 PolarHBondContact O-N 2.79Å; R121-A123 PolarHBondContact O-N 3.43Å |
| 122 | P | 95 | Very high | 95.3 | Very high | 99 Ų | 99 | 58.6 Ų | 58.6 | 64% | 0.643 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 134.6 | 174 | -25.1 | 34.5 | 0 | 0 | 0 | 112.4 | G124 | P122-G124 PolarHBondContact O-N 2.83Å |
| 123 | A | 93.8 | Very high | 95 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 67.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L19 L95 L115 M117 R121 K125 G126 | L19-A123 HydrophobicContact CD1-CB 4.22Å; L95-A123 WeakPolarHBondContact O-CB 3.31Å; L115-A123 HydrophobicContact CB-CB 3.93Å; L115-A123 WeakPolarHBondContact O-CB 3.4Å; L115-A123 PolarHBondContact O-N 2.82Å; M117-A123 HydrophobicContact CG-CB 4.19Å; M117-A123 HydrophobicContact SD-CB 3.58Å; M117-A123 VanDerWaalsContact SD-CB 3.58Å; R121-A123 PolarHBondContact O-N 3.43Å; A123-K125 PolarHBondContact O-N 3.44Å; A123-G126 PolarHBondContact O-N 3.13Å; A123-G126 VanDerWaalsContact O-N 3.16Å |
| 124 | G | 92.8 | Very high | 94.7 | Very high | 46 Ų | 46 | 56.1 Ų | 56.1 | 47% | 0.474 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 62.5 | -131.4 | -174 | 0 | 0 | 0 | 0 | 0 | 112.4 | P122 | P122-G124 PolarHBondContact O-N 2.83Å |
| 125 | K | 95 | Very high | 94.3 | Very high | 182 Ų | 182 | 53.1 Ų | 53.1 | 79% | 0.791 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 8.1 | 174.3 | -63.9 | -179.9 | -178.6 | 175.8 | 0 | 112.4 | N17 A123 | N17-K125 HydrophobicContact CB-CB 4.13Å; N17-K125 CarbonylContact O-C 3.54Å; A123-K125 PolarHBondContact O-N 3.44Å |
| 126 | G | 96.4 | Very high | 93.8 | Very high | 3 Ų | 3 | 61 Ų | 61 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 136.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A16 N17 L115 A123 | A16-G126 WeakPolarHBondContact O-CA 3.36Å; N17-G126 WeakPolarHBondContact O-CA 3.49Å; N17-G126 PolarHBondContact O-N 2.69Å; N17-G126 VanDerWaalsContact O-N 3.12Å; L115-G126 PolarHBondContact N-O 2.81Å; A123-G126 PolarHBondContact O-N 3.13Å; A123-G126 VanDerWaalsContact O-N 3.16Å |
| 127 | S | 98 | Very high | 93.1 | Very high | 26 Ų | 26 | 60.1 Ų | 60.1 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 153.4 | 174.2 | 61.5 | 0 | 0 | 0 | 0 | 110.5 | C15 A16 R113 | C15-S127 CarbonylContact C-O 3.56Å; C15-S127 WeakPolarHBondContact CA-O 3.4Å; C15-S127 WeakPolarHBondContact CB-O 3.19Å; A16-S127 PolarHBondContact N-O 2.93Å; A16-S127 PolarHBondContact O-N 2.89Å; A16-S127 PolarHBondContact O-OG 3.03Å; R113-S127 CarbonylContact O-C 3.6Å; R113-S127 VanDerWaalsContact O-CA 3.31Å; R113-S127 WeakPolarHBondContact O-CA 3.27Å; R113-S127 WeakPolarHBondContact O-CB 3.49Å |
| 128 | I | 98.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 137.9 | 175.5 | -176 | 165.4 | 0 | 0 | 0 | 109.1 | V13 S14 F77 V79 C98 T112 R113 L115 I130 | V13-I128 HydrophobicContact CG1-CD1 3.62Å; V13-I128 HydrophobicContact CG1-CG1 3.82Å; S14-I128 CarbonylContact O-C 3.58Å; S14-I128 WeakPolarHBondContact O-CA 3.4Å; F77-I128 HydrophobicContact CB-CD1 3.59Å; F77-I128 HydrophobicContact CD1-CD1 4.37Å; F77-I128 HydrophobicContact CG-CD1 4.08Å; V79-I128 HydrophobicContact CG2-CD1 4.42Å; C98-I128 HydrophobicContact CB-CG2 3.5Å; C98-I128 VanDerWaalsContact CB-CG2 3.5Å; T112-I128 CarbonylContact C-O 3.49Å; T112-I128 VanDerWaalsContact CA-O 3.31Å; T112-I128 WeakPolarHBondContact CA-O 3.45Å; R113-I128 PolarHBondContact N-O 2.79Å; R113-I128 PolarHBondContact O-N 2.89Å; L115-I128 HydrophobicContact CD2-CB 3.94Å; L115-I128 HydrophobicContact CD2-CG2 3.76Å; L115-I128 HydrophobicContact CG-CB 4.27Å; L115-I128 HydrophobicContact CG-CG2 4.26Å; I128-I130 HydrophobicContact CD1-CD1 4.21Å; I128-I130 HydrophobicContact CD1-CG1 4.4Å; I128-I130 HydrophobicContact CG1-CD1 3.83Å; I128-I130 HydrophobicContact CG1-CG1 4.21Å; I128-I130 HydrophobicContact CG2-CD1 4.13Å |
| 129 | T | 97.5 | Very high | 92.7 | Very high | 26 Ų | 26 | 64.8 Ų | 64.8 | 16% | 0.16 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 125.4 | 172.6 | -62.7 | 0 | 0 | 0 | 0 | 108.5 | V13 S14 K110 L111 T112 | V13-T129 WeakPolarHBondContact CA-O 3.24Å; S14-T129 PolarHBondContact N-O 2.95Å; S14-T129 PolarHBondContact O-N 3.01Å; K110-T129 HydrophobicContact CD-CG2 4.37Å; K110-T129 HydrophobicContact CG-CG2 3.88Å; L111-T129 CarbonylContact O-C 3.24Å; L111-T129 WeakPolarHBondContact O-CA 3.35Å; T112-T129 WeakPolarHBondContact CG2-OG1 3.44Å; T112-T129 WeakPolarHBondContact OG1-CG2 3.16Å; T112-T129 PolarHBondContact OG1-OG1 3.41Å |
| 130 | I | 97.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.7 | 175 | -50 | 89.7 | 0 | 0 | 0 | 108 | L11 N12 V13 F77 I105 K110 L111 I128 | L11-I130 HydrophobicContact CB-CG2 4.17Å; L11-I130 HydrophobicContact CD2-CG2 4.45Å; N12-I130 CarbonylContact O-C 3.51Å; N12-I130 WeakPolarHBondContact O-CA 3.38Å; V13-I130 HydrophobicContact CG2-CG1 4.35Å; V13-I130 HydrophobicContact CG2-CG2 4.33Å; F77-I130 HydrophobicContact CD1-CG1 4.35Å; F77-I130 HydrophobicContact CD2-CD1 4.38Å; F77-I130 HydrophobicContact CD2-CG1 4.3Å; F77-I130 HydrophobicContact CE1-CG1 4.08Å; F77-I130 HydrophobicContact CE1-CG2 4.3Å; F77-I130 HydrophobicContact CE2-CD1 4.4Å; F77-I130 HydrophobicContact CE2-CG1 4.05Å; F77-I130 HydrophobicContact CG-CG1 4.45Å; F77-I130 HydrophobicContact CZ-CG1 3.93Å; F77-I130 HydrophobicContact CZ-CG2 3.98Å; I105-I130 HydrophobicContact CD1-CB 4.3Å; I105-I130 HydrophobicContact CD1-CG2 3.89Å; I105-I130 HydrophobicContact CG2-CB 4.25Å; I105-I130 HydrophobicContact CG2-CG2 3.91Å; K110-I130 CarbonylContact C-O 3.54Å; K110-I130 WeakPolarHBondContact CA-O 3.29Å; L111-I130 PolarHBondContact N-O 3.42Å; L111-I130 PolarHBondContact O-N 3.38Å; I128-I130 HydrophobicContact CD1-CD1 4.21Å; I128-I130 HydrophobicContact CD1-CG1 4.4Å; I128-I130 HydrophobicContact CG1-CD1 3.83Å; I128-I130 HydrophobicContact CG1-CG1 4.21Å; I128-I130 HydrophobicContact CG2-CD1 4.13Å |
| 131 | S | 94.3 | Very high | 93 | Very high | 20 Ų | 20 | 62.9 Ų | 62.9 | 14% | 0.14 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 142.8 | 171.6 | 54 | 0 | 0 | 0 | 0 | 110.4 | L11 N12 K109 | L11-S131 CarbonylContact C-O 3.55Å; L11-S131 VanDerWaalsContact CA-O 3.25Å; L11-S131 WeakPolarHBondContact CA-O 3.31Å; N12-S131 WeakPolarHBondContact CB-OG 3.2Å; N12-S131 PolarHBondContact N-O 3.23Å; N12-S131 PolarHBondContact O-N 2.86Å; K109-S131 CarbonylContact O-C 3.58Å; K109-S131 VanDerWaalsContact O-CA 3.23Å; K109-S131 WeakPolarHBondContact O-CA 3.47Å |
| 132 | A | 93.6 | Very high | 93.1 | Very high | 12 Ų | 12 | 58.8 Ų | 58.8 | 10% | 0.099 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 131.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V9 A10 L11 I105 V106 K109 | V9-A132 HydrophobicContact CG1-CB 3.84Å; A10-A132 WeakPolarHBondContact O-CA 2.83Å; L11-A132 HydrophobicContact CD2-CB 3.61Å; I105-A132 HydrophobicContact CB-CB 4.4Å; I105-A132 HydrophobicContact CG2-CB 3.68Å; V106-A132 HydrophobicContact CG2-CB 4.36Å; K109-A132 PolarHBondContact O-N 2.8Å |
| 133 | E | 91.1 | Very high | 93.2 | Very high | 25 Ų | 25 | 55.2 Ų | 55.2 | 12% | 0.117 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 132.2 | 174.6 | -70.6 | 177.9 | -170.4 | 0 | 0 | 110.4 | V9 A10 I135 K167 Y203 | V9-E133 CarbonylContact C-O 3.55Å; V9-E133 WeakPolarHBondContact CA-O 3.42Å; A10-E133 PolarHBondContact N-O 2.79Å; A10-E133 PolarHBondContact O-N 2.77Å; E133-I135 PolarHBondContact O-N 2.81Å; E133-K167 WeakPolarHBondContact OE1-CE 3.39Å; E133-K167 IonicContact OE1-NZ 3.1Å; E133-K167 PolarHBondContact OE1-NZ 2.93Å; E133-K167 IonicContact OE2-NZ 2.88Å; E133-K167 PolarHBondContact OE2-NZ 3.44Å; E133-Y203 HydrophobicContact CG-CE1 4.44Å; E133-Y203 VanDerWaalsContact OE1-CE1 3.24Å; E133-Y203 WeakPolarHBondContact OE1-CE1 3.34Å |
| 134 | E | 91.3 | Very high | 93.4 | Very high | 94 Ų | 94 | 62.2 Ų | 62.2 | 44% | 0.439 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 130.4 | 170 | 179.3 | 173.5 | -162.6 | 0 | 0 | 109.7 | T7 K136 N199 | T7-E134 HydrophobicContact CG2-CB 4.45Å; T7-E134 HydrophobicContact CG2-CG 3.48Å; T7-E134 VanDerWaalsContact CG2-CG 3.48Å; T7-E134 VanDerWaalsContact CG2-OE1 3.31Å; T7-E134 WeakPolarHBondContact CG2-OE1 3.45Å; E134-K136 HydrophobicContact CG-CG 3.96Å; E134-K136 PolarHBondContact O-N 2.99Å; E134-K136 WeakPolarHBondContact OE2-CE 3.31Å; E134-K136 IonicContact OE2-NZ 3.23Å; E134-K136 PolarHBondContact OE2-NZ 2.93Å; E134-N199 PolarHBondContact O-OD1 2.85Å |
| 135 | I | 89.9 | Confident | 93.6 | Very high | 30 Ų | 30 | 62 Ų | 62 | 15% | 0.154 | 31% | 0.306 | C | S | . | . | trans | -88.5 | 107.8 | 175.3 | -59.9 | 169.6 | 0 | 0 | 0 | 107.8 | K8 A10 I64 E133 | K8-I135 HydrophobicContact CB-CB 4.09Å; K8-I135 HydrophobicContact CB-CD1 4.18Å; K8-I135 PolarHBondContact O-N 3.07Å; A10-I135 HydrophobicContact CB-CD1 3.88Å; A10-I135 HydrophobicContact CB-CG1 3.86Å; I64-I135 HydrophobicContact CD1-CD1 4.29Å; I64-I135 HydrophobicContact CG1-CD1 4.11Å; I64-I135 HydrophobicContact CG2-CD1 3.83Å; E133-I135 PolarHBondContact O-N 2.81Å | ||
| 136 | K | 85.8 | Confident | 93.8 | Very high | 166 Ų | 166 | 58.8 Ų | 58.8 | 72% | 0.722 | 29% | 0.293 | S | S | * | . | trans | -103 | -18.3 | 176.6 | -62.7 | -175.6 | 179.4 | 179.1 | 0 | 113.1 | E134 N199 | E134-K136 HydrophobicContact CG-CG 3.96Å; E134-K136 PolarHBondContact O-N 2.99Å; E134-K136 WeakPolarHBondContact OE2-CE 3.31Å; E134-K136 IonicContact OE2-NZ 3.23Å; E134-K136 PolarHBondContact OE2-NZ 2.93Å; K136-N199 PolarHBondContact N-OD1 3.42Å | ||
| 137 | D | 83.3 | Confident | 93.8 | Very high | 26 Ų | 26 | 59.5 Ų | 59.5 | 14% | 0.139 | 30% | 0.299 | C | S | . | . | trans | -127.9 | 125.1 | -172.2 | -171.7 | -3.8 | 0 | 0 | 0 | 110.4 | R139 | D137-R139 WeakPolarHBondContact OD1-CB 3.35Å; D137-R139 WeakPolarHBondContact OD1-CG 3.48Å; D137-R139 PolarHBondContact OD1-N 2.71Å; D137-R139 IonicContact OD1-NE 2.66Å; D137-R139 PolarHBondContact OD1-NE 2.87Å; D137-R139 VanDerWaalsContact OD1-NE 3.15Å; D137-R139 IonicContact OD2-CZ 3.9Å; D137-R139 IonicContact OD2-NE 3.14Å; D137-R139 PolarHBondContact OD2-NE 3.49Å; D137-R139 IonicContact OD2-NH2 2.73Å; D137-R139 PolarHBondContact OD2-NH2 2.94Å | ||
| 138 | N | 85.4 | Confident | 93.8 | Very high | 134 Ų | 134 | 64 Ų | 64 | 72% | 0.717 | 31% | 0.312 | S | S | * | . | trans | -98.8 | 3.1 | 179.8 | -69.7 | -17.2 | 0 | 0 | 0 | 113 | ||||
| 139 | R | 92.3 | Very high | 93.8 | Very high | 125 Ų | 125 | 72.7 Ų | 72.7 | 47% | 0.472 | 35% | 0.349 | S | S | . | . | trans | -64.3 | 145.1 | 174.7 | -68.7 | 178.8 | -63.8 | 165.7 | 3.5 | 110.5 | D137 L198 G204 | D137-R139 WeakPolarHBondContact OD1-CB 3.35Å; D137-R139 WeakPolarHBondContact OD1-CG 3.48Å; D137-R139 PolarHBondContact OD1-N 2.71Å; D137-R139 IonicContact OD1-NE 2.66Å; D137-R139 PolarHBondContact OD1-NE 2.87Å; D137-R139 VanDerWaalsContact OD1-NE 3.15Å; D137-R139 IonicContact OD2-CZ 3.9Å; D137-R139 IonicContact OD2-NE 3.14Å; D137-R139 PolarHBondContact OD2-NE 3.49Å; D137-R139 IonicContact OD2-NH2 2.73Å; D137-R139 PolarHBondContact OD2-NH2 2.94Å; R139-L198 HydrophobicContact CB-CB 4.36Å; R139-L198 HydrophobicContact CB-CD1 3.7Å; R139-L198 HydrophobicContact CB-CG 4.22Å; R139-L198 PolarHBondContact O-N 3.39Å; R139-G204 PolarHBondContact NH2-O 2.91Å | ||
| 140 | V | 93.1 | Very high | 93.8 | Very high | 88 Ų | 88 | 72.8 Ų | 72.8 | 53% | 0.533 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 145.1 | 177.1 | -64.2 | 0 | 0 | 0 | 0 | 109.5 | I196 | V140-I196 WeakPolarHBondContact CA-O 3.37Å |
| 141 | V | 94.7 | Very high | 93.7 | Very high | 34 Ų | 34 | 77.7 Ų | 77.7 | 21% | 0.206 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 130.8 | 171.6 | -173.6 | 0 | 0 | 0 | 0 | 108 | F143 K195 I196 L198 | V141-F143 HydrophobicContact CB-CD2 4.27Å; V141-F143 HydrophobicContact CB-CE2 3.65Å; V141-F143 HydrophobicContact CB-CZ 4.11Å; V141-F143 HydrophobicContact CG1-CD2 4Å; V141-F143 HydrophobicContact CG1-CE1 4.18Å; V141-F143 HydrophobicContact CG1-CE2 3.52Å; V141-F143 HydrophobicContact CG1-CZ 3.61Å; V141-K195 VanDerWaalsContact O-CA 3.31Å; V141-K195 WeakPolarHBondContact O-CA 3.5Å; V141-I196 PolarHBondContact N-O 3.18Å; V141-I196 PolarHBondContact O-N 2.88Å; V141-I196 VanDerWaalsContact O-N 3.09Å; V141-L198 HydrophobicContact CG2-CD2 3.29Å; V141-L198 HydrophobicContact CG2-CG 3.72Å |
| 142 | L | 96.4 | Very high | 93.8 | Very high | 98 Ų | 98 | 80.1 Ų | 80.1 | 51% | 0.513 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123 | 169.5 | 177.7 | 66.5 | 0 | 0 | 0 | 108.1 | P193 K195 | L142-P193 HydrophobicContact CD1-CB 4.18Å; L142-K195 HydrophobicContact CD1-CG 3.96Å |
| 143 | F | 97 | Very high | 93.8 | Very high | 24 Ų | 24 | 83.3 Ų | 83.3 | 11% | 0.105 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 134.8 | 177.3 | -73.4 | -84.4 | 0 | 0 | 0 | 110.5 | V141 M145 F165 P193 F194 I196 L201 M233 | V141-F143 HydrophobicContact CB-CD2 4.27Å; V141-F143 HydrophobicContact CB-CE2 3.65Å; V141-F143 HydrophobicContact CB-CZ 4.11Å; V141-F143 HydrophobicContact CG1-CD2 4Å; V141-F143 HydrophobicContact CG1-CE1 4.18Å; V141-F143 HydrophobicContact CG1-CE2 3.52Å; V141-F143 HydrophobicContact CG1-CZ 3.61Å; F143-M145 HydrophobicContact CB-CG 4.18Å; F143-M145 HydrophobicContact CD1-SD 4.08Å; F143-F165 HydrophobicContact CD1-CE1 4.31Å; F143-F165 HydrophobicContact CE1-CE1 4.12Å; F143-F165 HydrophobicContact CZ-CE1 4.39Å; F143-P193 VanDerWaalsContact O-CA 3.27Å; F143-P193 WeakPolarHBondContact O-CA 3.5Å; F143-F194 HydrophobicContact CB-CD1 4.35Å; F143-F194 HydrophobicContact CB-CD2 3.96Å; F143-F194 HydrophobicContact CB-CE1 3.88Å; F143-F194 HydrophobicContact CB-CE2 3.44Å; F143-F194 VanDerWaalsContact CB-CE2 3.44Å; F143-F194 HydrophobicContact CB-CG 4.38Å; F143-F194 HydrophobicContact CB-CZ 3.38Å; F143-F194 HydrophobicContact CD2-CD2 4.14Å; F143-F194 AromaticContact CD2-CE2 3.6Å; F143-F194 HydrophobicContact CD2-CE2 3.6Å; F143-F194 HydrophobicContact CD2-CZ 4.29Å; F143-F194 HydrophobicContact CG-CD2 4.41Å; F143-F194 AromaticContact CG-CE2 3.66Å; F143-F194 HydrophobicContact CG-CE2 3.66Å; F143-F194 AromaticContact CG-CZ 3.88Å; F143-F194 HydrophobicContact CG-CZ 3.88Å; F143-F194 PolarHBondContact N-O 2.92Å; F143-F194 PolarHBondContact O-N 3.41Å; F143-F194 VanDerWaalsContact O-N 3.16Å; F143-I196 HydrophobicContact CD2-CD1 4.18Å; F143-I196 HydrophobicContact CD2-CG1 4.19Å; F143-I196 HydrophobicContact CE2-CB 4.24Å; F143-I196 HydrophobicContact CE2-CD1 3.95Å; F143-I196 HydrophobicContact CE2-CG1 4.14Å; F143-L201 HydrophobicContact CE2-CD2 3.86Å; F143-L201 HydrophobicContact CZ-CD2 3.6Å; F143-M233 HydrophobicContact CE1-SD 4.48Å; F143-M233 HydrophobicContact CZ-CE 4.3Å; F143-M233 HydrophobicContact CZ-SD 3.92Å |
| 144 | E | 97.7 | Very high | 93.7 | Very high | 148 Ų | 148 | 84.2 Ų | 84.2 | 69% | 0.692 | 40% | 0.404 | S | S | * | . | trans | -123.5 | 110.7 | 165.3 | -63.2 | -173.5 | -170.7 | 0 | 0 | 106.4 | P193 | E144-P193 HydrophobicContact CG-CB 4.12Å; E144-P193 HydrophobicContact CG-CG 4.1Å | ||
| 145 | M | 97.5 | Very high | 93.4 | Very high | 42 Ų | 42 | 87.6 Ų | 87.6 | 21% | 0.207 | 42% | 0.424 | C | S | . | . | trans | -119.9 | 140.6 | -168.4 | -62.6 | -66.3 | -69.8 | 0 | 0 | 110.5 | F143 L163 F165 W191 F194 F229 | F143-M145 HydrophobicContact CB-CG 4.18Å; F143-M145 HydrophobicContact CD1-SD 4.08Å; M145-L163 HydrophobicContact CB-CD1 3.99Å; M145-L163 HydrophobicContact CE-CD1 4.03Å; M145-L163 HydrophobicContact CG-CD1 4.26Å; M145-F165 HydrophobicContact CE-CZ 4.15Å; M145-F165 HydrophobicContact CG-CZ 4.33Å; M145-F165 HydrophobicContact SD-CZ 4.45Å; M145-W191 HydrophobicContact CB-CE3 3.99Å; M145-W191 PolarHBondContact O-N 3.05Å; M145-W191 VanDerWaalsContact O-N 3.11Å; M145-F194 HydrophobicContact CG-CE1 3.97Å; M145-F194 HydrophobicContact CG-CZ 3.96Å; M145-F229 HydrophobicContact CE-CZ 4.44Å | ||
| 146 | E | 98.1 | Very high | 93.2 | Very high | 113 Ų | 113 | 95.9 Ų | 95.9 | 53% | 0.528 | 46% | 0.46 | S | S | . | . | B | Isolated β-bridge | trans | -143.2 | 153.5 | 172.2 | 67.4 | 173.1 | -139.9 | 0 | 0 | 110.9 | R148 P189 V190 | E146-R148 IonicContact OE1-CZ 3.4Å; E146-R148 VanDerWaalsContact OE1-CZ 3.23Å; E146-R148 IonicContact OE1-NE 2.93Å; E146-R148 IonicContact OE1-NH1 3.38Å; E146-R148 IonicContact OE1-NH2 2.71Å; E146-R148 PolarHBondContact OE1-NH2 3.11Å; E146-R148 IonicContact OE2-CZ 3.8Å; E146-R148 IonicContact OE2-NH1 3.81Å; E146-R148 IonicContact OE2-NH2 3.7Å; E146-R148 PolarHBondContact OE2-NH2 3.11Å; E146-P189 WeakPolarHBondContact CA-O 3.28Å; E146-V190 HydrophobicContact CB-CG2 4.02Å |
| 147 | A | 98 | Very high | 93.5 | Very high | 18 Ų | 18 | 90.1 Ų | 90.1 | 15% | 0.149 | 45% | 0.447 | C | S | . | . | trans | -126.9 | 160.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L150 N188 P189 W191 | A147-L150 HydrophobicContact CB-CD1 3.97Å; A147-L150 HydrophobicContact CB-CD2 3.69Å; A147-L150 HydrophobicContact CB-CG 3.88Å; A147-N188 CarbonylContact O-C 3.57Å; A147-N188 VanDerWaalsContact O-CA 3.23Å; A147-N188 WeakPolarHBondContact O-CA 3.48Å; A147-P189 HydrophobicContact CB-CG 3.92Å; A147-P189 PolarHBondContact N-O 2.99Å; A147-W191 HydrophobicContact CB-CH2 3.76Å; A147-W191 HydrophobicContact CB-CZ3 3.85Å | ||
| 148 | R | 97.8 | Very high | 94 | Very high | 120 Ų | 120 | 93.4 Ų | 93.4 | 45% | 0.453 | 46% | 0.46 | S | S | . | . | trans | -139.6 | 138.9 | -177.8 | -63 | -64.8 | -178 | -97.3 | -0.9 | 109.8 | E146 L150 N188 | E146-R148 IonicContact OE1-CZ 3.4Å; E146-R148 VanDerWaalsContact OE1-CZ 3.23Å; E146-R148 IonicContact OE1-NE 2.93Å; E146-R148 IonicContact OE1-NH1 3.38Å; E146-R148 IonicContact OE1-NH2 2.71Å; E146-R148 PolarHBondContact OE1-NH2 3.11Å; E146-R148 IonicContact OE2-CZ 3.8Å; E146-R148 IonicContact OE2-NH1 3.81Å; E146-R148 IonicContact OE2-NH2 3.7Å; E146-R148 PolarHBondContact OE2-NH2 3.11Å; R148-L150 PolarHBondContact O-N 2.83Å; R148-N188 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 149 | K | 97.4 | Very high | 94.5 | Very high | 183 Ų | 183 | 87 Ų | 87 | 80% | 0.796 | 43% | 0.426 | S | S | * | . | S | Bend | trans | 51 | 45.2 | 177 | -54.6 | 178.6 | -179.2 | 178.6 | 0 | 112.4 | L187 N188 | K149-L187 PolarHBondContact N-O 3.23Å; K149-N188 PolarHBondContact N-OD1 3.21Å |
| 150 | L | 97.7 | Very high | 94.7 | Very high | 28 Ų | 28 | 82.3 Ų | 82.3 | 15% | 0.147 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 145.1 | 172.8 | -66.3 | -179.6 | 0 | 0 | 0 | 110.2 | A147 R148 N152 P161 L187 P189 I226 | A147-L150 HydrophobicContact CB-CD1 3.97Å; A147-L150 HydrophobicContact CB-CD2 3.69Å; A147-L150 HydrophobicContact CB-CG 3.88Å; R148-L150 PolarHBondContact O-N 2.83Å; L150-N152 PolarHBondContact O-N 2.57Å; L150-P161 HydrophobicContact CD1-CB 3.61Å; L150-P161 HydrophobicContact CD1-CG 3.77Å; L150-L187 HydrophobicContact CB-CB 4.35Å; L150-L187 HydrophobicContact CB-CD2 4.38Å; L150-L187 PolarHBondContact N-O 3.2Å; L150-P189 HydrophobicContact CD1-CG 3.8Å; L150-I226 HydrophobicContact CB-CG2 4.28Å; L150-I226 HydrophobicContact CD1-CD1 4.44Å; L150-I226 HydrophobicContact CD2-CG2 4.15Å |
| 151 | D | 96.1 | Very high | 94.9 | Very high | 103 Ų | 103 | 78.1 Ų | 78.1 | 55% | 0.551 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 132.2 | 171 | -74.4 | -7.7 | 0 | 0 | 0 | 109.1 | S159 I226 | D151-S159 PolarHBondContact O-OG 2.84Å; D151-I226 HydrophobicContact CB-CG2 4.28Å |
| 152 | N | 95.3 | Very high | 95.1 | Very high | 71 Ų | 71 | 76.7 Ų | 76.7 | 38% | 0.38 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 122.2 | 175.1 | -169.6 | 16.3 | 0 | 0 | 0 | 110 | L150 D154 G157 K158 S159 L187 | L150-N152 PolarHBondContact O-N 2.57Å; N152-D154 PolarHBondContact OD1-N 2.88Å; N152-G157 PolarHBondContact ND2-O 2.93Å; N152-K158 VanDerWaalsContact OD1-CA 3.23Å; N152-K158 WeakPolarHBondContact OD1-CA 3.33Å; N152-S159 PolarHBondContact OD1-N 2.84Å; N152-S159 PolarHBondContact OD1-OG 2.63Å; N152-L187 HydrophobicContact CB-CD1 4.13Å; N152-L187 HydrophobicContact CB-CD2 4.02Å |
| 153 | K | 94.2 | Very high | 95.2 | Very high | 79 Ų | 79 | 72.4 Ų | 72.4 | 34% | 0.343 | 35% | 0.353 | S | S | . | . | trans | -97.9 | -21 | 175 | -49 | -65.7 | -174.6 | 174.3 | 0 | 113 | S159 D216 D224 L225 I226 | K153-S159 PolarHBondContact N-OG 2.92Å; K153-D216 HydrophobicContact CB-CB 4.22Å; K153-D216 WeakPolarHBondContact CB-OD2 3.28Å; K153-D216 HydrophobicContact CG-CB 4.19Å; K153-D224 HydrophobicContact CB-CB 4.05Å; K153-D224 HydrophobicContact CG-CB 4.03Å; K153-L225 VanDerWaalsContact CE-O 3.31Å; K153-L225 WeakPolarHBondContact CE-O 3.3Å; K153-I226 HydrophobicContact CG-CG1 4.06Å | ||
| 154 | D | 88.5 | Confident | 95.2 | Very high | 45 Ų | 45 | 72 Ų | 72 | 24% | 0.241 | 35% | 0.351 | C | S | . | . | trans | -75 | 139.1 | -179.5 | -80.2 | -44.4 | 0 | 0 | 0 | 114.8 | N152 K158 S159 | N152-D154 PolarHBondContact OD1-N 2.88Å; D154-K158 VanDerWaalsContact OD2-C 3.25Å; D154-S159 WeakPolarHBondContact OD2-CA 2.94Å; D154-S159 PolarHBondContact OD2-N 2.98Å | ||
| 155 | L | 85.8 | Confident | 95.2 | Very high | 165 Ų | 165 | 65 Ų | 65 | 86% | 0.864 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -76 | -29.8 | 172.1 | -67.1 | 177 | 0 | 0 | 0 | 113.2 | ||
| 156 | F | 85.8 | Confident | 95.2 | Very high | 204 Ų | 204 | 63.5 Ų | 63.5 | 90% | 0.895 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -130.5 | 88.6 | -179.5 | -66.5 | -74.4 | 0 | 0 | 0 | 110.9 | ||
| 157 | G | 90.8 | Very high | 95 | Very high | 44 Ų | 44 | 58.2 Ų | 58.2 | 45% | 0.454 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 125.7 | -154.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | N152 | N152-G157 PolarHBondContact ND2-O 2.93Š|
| 158 | K | 94.3 | Very high | 94.8 | Very high | 96 Ų | 96 | 61.7 Ų | 61.7 | 42% | 0.417 | 30% | 0.3 | S | S | . | . | trans | -118.1 | 156.9 | 167.8 | -60.2 | 164.9 | 177.8 | 174.9 | 0 | 107.5 | N152 D154 N185 L187 | N152-K158 VanDerWaalsContact OD1-CA 3.23Å; N152-K158 WeakPolarHBondContact OD1-CA 3.33Å; D154-K158 VanDerWaalsContact OD2-C 3.25Å; K158-N185 WeakPolarHBondContact CB-OD1 3.17Å; K158-N185 WeakPolarHBondContact CD-O 3.1Å; K158-N185 WeakPolarHBondContact CG-OD1 3.49Å; K158-N185 PolarHBondContact N-OD1 3.14Å; K158-N185 WeakPolarHBondContact O-CA 3.42Å; K158-L187 HydrophobicContact CB-CD2 3.93Å; K158-L187 HydrophobicContact CB-CG 3.94Å; K158-L187 HydrophobicContact CD-CG 4.09Å; K158-L187 HydrophobicContact CG-CD1 4.24Å; K158-L187 HydrophobicContact CG-CD2 4.49Å; K158-L187 HydrophobicContact CG-CG 4.02Å | ||
| 159 | S | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -46.3 | 147.6 | 169.9 | -64.1 | 0 | 0 | 0 | 0 | 114.1 | D151 N152 K153 D154 P161 N185 N186 D216 | D151-S159 PolarHBondContact O-OG 2.84Å; N152-S159 PolarHBondContact OD1-N 2.84Å; N152-S159 PolarHBondContact OD1-OG 2.63Å; K153-S159 PolarHBondContact N-OG 2.92Å; D154-S159 WeakPolarHBondContact OD2-CA 2.94Å; D154-S159 PolarHBondContact OD2-N 2.98Å; S159-P161 WeakPolarHBondContact O-CD 3.42Å; S159-N185 WeakPolarHBondContact O-CA 3.47Å; S159-N185 PolarHBondContact O-N 2.96Å; S159-N186 PolarHBondContact O-N 2.69Å; S159-D216 VanDerWaalsContact CA-OD1 3.23Å; S159-D216 WeakPolarHBondContact CA-OD1 3.48Å; S159-D216 VanDerWaalsContact CA-OD2 3.26Å; S159-D216 WeakPolarHBondContact CA-OD2 3.39Å; S159-D216 WeakPolarHBondContact CB-OD1 3.43Å; S159-D216 WeakPolarHBondContact CB-OD2 3.21Å; S159-D216 VanDerWaalsContact OG-CG 3.29Å; S159-D216 PolarHBondContact OG-OD2 3.02Å | ||
| 160 | D | 96.7 | Very high | 93.6 | Very high | 25 Ų | 25 | 54.6 Ų | 54.6 | 13% | 0.134 | 29% | 0.291 | C | S | . | . | trans | -102 | 70.1 | 172.9 | -72.8 | -14.8 | 0 | 0 | 0 | 110.1 | V182 V183 K184 N185 D216 Y217 | D160-V182 HydrophobicContact CB-CG1 3.78Å; D160-V182 WeakPolarHBondContact O-CG1 3.23Å; D160-V183 CarbonylContact C-O 3.53Å; D160-V183 WeakPolarHBondContact CA-O 3.33Å; D160-K184 WeakPolarHBondContact OD1-CA 3.46Å; D160-K184 WeakPolarHBondContact OD1-CB 3.41Å; D160-N185 PolarHBondContact OD1-N 2.98Å; D160-D216 WeakPolarHBondContact CA-OD1 3.17Å; D160-D216 PolarHBondContact N-OD1 3.07Å; D160-Y217 WeakPolarHBondContact O-CB 3.03Å; D160-Y217 PolarHBondContact O-N 2.83Å; D160-Y217 VanDerWaalsContact O-N 3.11Å | ||
| 161 | P | 98.1 | Very high | 93 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 145.1 | -167.4 | 30.4 | -42.2 | 0 | 0 | 0 | 115.4 | L150 S159 V183 N186 P189 W191 Y215 I226 | L150-P161 HydrophobicContact CD1-CB 3.61Å; L150-P161 HydrophobicContact CD1-CG 3.77Å; S159-P161 WeakPolarHBondContact O-CD 3.42Å; P161-V183 WeakPolarHBondContact CD-O 3.39Å; P161-V183 PolarHBondContact O-N 3.48Å; P161-N186 VanDerWaalsContact CD-O 3.32Å; P161-N186 WeakPolarHBondContact CD-O 3.27Å; P161-N186 WeakPolarHBondContact CG-O 3.4Å; P161-P189 HydrophobicContact CB-CG 4.33Å; P161-P189 HydrophobicContact CG-CB 3.92Å; P161-P189 HydrophobicContact CG-CG 3.63Å; P161-W191 HydrophobicContact CB-CZ2 4.04Å; P161-W191 HydrophobicContact CG-CZ2 4.39Å; P161-W191 PolarHBondContact O-NE1 2.83Å; P161-Y215 CarbonylContact C-O 3.59Å; P161-Y215 WeakPolarHBondContact CA-O 3.17Å; P161-I226 HydrophobicContact CB-CD1 4.14Å |
| 162 | Y | 97.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 161 | 166.5 | 70.3 | -85.7 | 0 | 0 | 0 | 111.5 | E164 R179 V182 C214 Y215 Y217 H223 | Y162-E164 HydrophobicContact CD2-CG 4.09Å; Y162-E164 HydrophobicContact CE2-CG 3.63Å; Y162-E164 WeakPolarHBondContact CE2-OE1 3.48Å; Y162-R179 HydrophobicContact CD2-CG 3.68Å; Y162-R179 HydrophobicContact CE2-CG 4.03Å; Y162-V182 HydrophobicContact CD1-CG2 4.05Å; Y162-V182 HydrophobicContact CG-CG2 4.27Å; Y162-C214 WeakPolarHBondContact O-CA 3.35Å; Y162-Y215 VanDerWaalsContact CE1-CB 3.42Å; Y162-Y215 HydrophobicContact CE1-CG 4.48Å; Y162-Y215 HydrophobicContact CE2-CD2 4.22Å; Y162-Y215 HydrophobicContact CE2-CG 4.38Å; Y162-Y215 AromaticContact CZ-CG 3.97Å; Y162-Y215 PolarHBondContact N-O 3.35Å; Y162-Y215 PolarHBondContact O-N 2.95Å; Y162-Y215 WeakPolarHBondContact OH-CB 3.36Å; Y162-Y217 HydrophobicContact CE1-CD2 4.49Å; Y162-H223 HydrophobicContact CE1-CB 4.38Å; Y162-H223 PolarHBondContact OH-CD2 3.28Å |
| 163 | L | 98.4 | Very high | 92.3 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 143.1 | 179.5 | -57.6 | 178.6 | 0 | 0 | 0 | 111.7 | M145 F165 R179 T180 W191 V212 E213 C214 | M145-L163 HydrophobicContact CB-CD1 3.99Å; M145-L163 HydrophobicContact CE-CD1 4.03Å; M145-L163 HydrophobicContact CG-CD1 4.26Å; L163-F165 HydrophobicContact CB-CE2 4.02Å; L163-F165 HydrophobicContact CD1-CE2 4.28Å; L163-R179 VanDerWaalsContact O-CA 3.3Å; L163-R179 WeakPolarHBondContact O-CA 3.3Å; L163-T180 HydrophobicContact CB-CG2 3.85Å; L163-T180 HydrophobicContact CD1-CG2 4.44Å; L163-T180 HydrophobicContact CG-CG2 4.44Å; L163-T180 PolarHBondContact N-OG1 3.41Å; L163-T180 PolarHBondContact O-N 3.5Å; L163-W191 HydrophobicContact CD1-CD2 4.13Å; L163-W191 HydrophobicContact CD1-CE3 3.78Å; L163-W191 HydrophobicContact CD1-CH2 4.01Å; L163-W191 HydrophobicContact CD1-CZ2 4.35Å; L163-W191 HydrophobicContact CD1-CZ3 3.72Å; L163-W191 HydrophobicContact CD2-CH2 3.68Å; L163-W191 HydrophobicContact CD2-CZ2 3.94Å; L163-W191 HydrophobicContact CD2-CZ3 4.21Å; L163-W191 HydrophobicContact CG-CD2 4.21Å; L163-W191 HydrophobicContact CG-CE3 4.22Å; L163-W191 HydrophobicContact CG-CH2 3.74Å; L163-W191 HydrophobicContact CG-CZ2 3.74Å; L163-W191 HydrophobicContact CG-CZ3 4Å; L163-V212 HydrophobicContact CB-CG1 4.46Å; L163-V212 HydrophobicContact CD2-CG1 4.39Å; L163-E213 CarbonylContact C-O 3.53Å; L163-E213 WeakPolarHBondContact CA-O 3.49Å; L163-C214 HydrophobicContact CD2-CB 3.71Å |
| 164 | E | 97.9 | Very high | 92.3 | Very high | 16 Ų | 16 | 54.2 Ų | 54.2 | 8% | 0.075 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 124.6 | 168.6 | -61.9 | -168.8 | 157.5 | 0 | 0 | 110.9 | Y162 H166 M176 H178 R179 V212 E213 Y215 | Y162-E164 HydrophobicContact CD2-CG 4.09Å; Y162-E164 HydrophobicContact CE2-CG 3.63Å; Y162-E164 WeakPolarHBondContact CE2-OE1 3.48Å; E164-H166 VanDerWaalsContact CB-CE1 3.41Å; E164-H166 WeakPolarHBondContact CB-CE1 3.41Å; E164-H166 PolarHBondContact O-ND1 2.63Å; E164-H166 IonicContact OE2-CE1 3.37Å; E164-H166 PolarHBondContact OE2-CE1 2.89Å; E164-H166 IonicContact OE2-NE2 3.53Å; E164-M176 HydrophobicContact CB-CG 4.34Å; E164-M176 HydrophobicContact CB-SD 4.29Å; E164-M176 HydrophobicContact CG-SD 3.97Å; E164-H178 WeakPolarHBondContact CA-O 3.34Å; E164-R179 HydrophobicContact CG-CG 4.2Å; E164-R179 IonicContact OE1-CZ 3.25Å; E164-R179 IonicContact OE1-NE 3.01Å; E164-R179 PolarHBondContact OE1-NE 3.19Å; E164-R179 IonicContact OE1-NH2 2.83Å; E164-R179 PolarHBondContact OE1-NH2 3.37Å; E164-V212 WeakPolarHBondContact O-CA 3.12Å; E164-E213 PolarHBondContact N-O 2.95Å; E164-E213 PolarHBondContact O-N 3.31Å; E164-Y215 HydrophobicContact CG-CD2 4.13Å; E164-Y215 HydrophobicContact CG-CE2 4.3Å; E164-Y215 WeakPolarHBondContact OE2-CE2 3.4Å |
| 165 | F | 97.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.009 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 131.9 | 175.1 | -69.3 | -107.8 | 0 | 0 | 0 | 109.4 | F143 M145 L163 M176 V177 H178 T180 F194 I196 L201 I210 V212 | F143-F165 HydrophobicContact CD1-CE1 4.31Å; F143-F165 HydrophobicContact CE1-CE1 4.12Å; F143-F165 HydrophobicContact CZ-CE1 4.39Å; M145-F165 HydrophobicContact CE-CZ 4.15Å; M145-F165 HydrophobicContact CG-CZ 4.33Å; M145-F165 HydrophobicContact SD-CZ 4.45Å; L163-F165 HydrophobicContact CB-CE2 4.02Å; L163-F165 HydrophobicContact CD1-CE2 4.28Å; F165-M176 WeakPolarHBondContact O-CA 3.42Å; F165-V177 HydrophobicContact CB-CG2 4.21Å; F165-V177 WeakPolarHBondContact O-CG2 3.44Å; F165-V177 PolarHBondContact O-N 3.27Å; F165-H178 HydrophobicContact CB-CB 4.08Å; F165-H178 HydrophobicContact CD2-CB 4.35Å; F165-H178 HydrophobicContact CG-CB 4.48Å; F165-H178 PolarHBondContact N-O 2.99Å; F165-H178 PolarHBondContact O-N 2.66Å; F165-T180 HydrophobicContact CE2-CG2 4.45Å; F165-F194 HydrophobicContact CD2-CE2 4.44Å; F165-F194 HydrophobicContact CD2-CZ 4.36Å; F165-F194 HydrophobicContact CE2-CE1 4.47Å; F165-F194 AromaticContact CE2-CE2 3.94Å; F165-F194 HydrophobicContact CE2-CE2 3.94Å; F165-F194 AromaticContact CE2-CZ 3.47Å; F165-F194 HydrophobicContact CE2-CZ 3.47Å; F165-F194 VanDerWaalsContact CE2-CZ 3.47Å; F165-F194 HydrophobicContact CZ-CE2 4.09Å; F165-F194 AromaticContact CZ-CZ 3.58Å; F165-F194 HydrophobicContact CZ-CZ 3.58Å; F165-I196 HydrophobicContact CB-CD1 4.2Å; F165-I196 HydrophobicContact CD1-CD1 4.14Å; F165-I196 HydrophobicContact CD2-CD1 4.38Å; F165-I196 HydrophobicContact CG-CD1 3.98Å; F165-L201 HydrophobicContact CB-CD1 4.42Å; F165-L201 HydrophobicContact CD1-CD1 4.3Å; F165-I210 HydrophobicContact CD1-CD1 4.24Å; F165-V212 HydrophobicContact CD1-CG2 3.65Å; F165-V212 HydrophobicContact CE1-CG1 4.41Å; F165-V212 HydrophobicContact CE1-CG2 3.64Å; F165-V212 HydrophobicContact CE2-CG1 4.35Å; F165-V212 HydrophobicContact CG-CG2 4.31Å; F165-V212 HydrophobicContact CZ-CG1 4.22Å; F165-V212 HydrophobicContact CZ-CG2 4.27Å |
| 166 | H | 96.9 | Very high | 92.9 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.046 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 137.8 | -176.4 | -64.1 | 87.3 | 0 | 0 | 0 | 111.1 | E164 W174 L175 M176 I210 K211 E213 | E164-H166 VanDerWaalsContact CB-CE1 3.41Å; E164-H166 WeakPolarHBondContact CB-CE1 3.41Å; E164-H166 PolarHBondContact O-ND1 2.63Å; E164-H166 IonicContact OE2-CE1 3.37Å; E164-H166 PolarHBondContact OE2-CE1 2.89Å; E164-H166 IonicContact OE2-NE2 3.53Å; H166-W174 HydrophobicContact CB-CB 4.21Å; H166-W174 HydrophobicContact CB-CD2 4.47Å; H166-W174 HydrophobicContact CB-CE3 3.84Å; H166-L175 VanDerWaalsContact CA-O 3.27Å; H166-L175 WeakPolarHBondContact CA-O 3.34Å; H166-M176 VanDerWaalsContact CD2-CA 3.49Å; H166-M176 WeakPolarHBondContact CD2-CA 3.16Å; H166-M176 PolarHBondContact CD2-N 3.44Å; H166-I210 WeakPolarHBondContact O-CA 3.27Å; H166-K211 HydrophobicContact CB-CB 4.15Å; H166-K211 PolarHBondContact N-O 2.76Å; H166-K211 PolarHBondContact O-N 3.29Å; H166-E213 IonicContact CE1-OE2 3.48Å; H166-E213 PolarHBondContact CE1-OE2 2.98Å; H166-E213 IonicContact ND1-OE2 2.72Å; H166-E213 PolarHBondContact ND1-OE2 3.48Å; H166-E213 IonicContact NE2-OE2 2.82Å |
| 167 | K | 94.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 149.2 | 165.6 | 72.4 | 173.3 | 159.3 | -157.8 | 0 | 110.5 | E133 W174 L175 V177 S200 L201 Y203 | E133-K167 WeakPolarHBondContact OE1-CE 3.39Å; E133-K167 IonicContact OE1-NZ 3.1Å; E133-K167 PolarHBondContact OE1-NZ 2.93Å; E133-K167 IonicContact OE2-NZ 2.88Å; E133-K167 PolarHBondContact OE2-NZ 3.44Å; K167-W174 VanDerWaalsContact C-CE3 3.45Å; K167-W174 WeakPolarHBondContact O-CA 3.44Å; K167-L175 HydrophobicContact CG-CB 4.16Å; K167-L175 PolarHBondContact N-O 3.18Å; K167-L175 PolarHBondContact O-N 3.37Å; K167-V177 HydrophobicContact CB-CG1 4.33Å; K167-V177 HydrophobicContact CD-CG1 3.94Å; K167-V177 HydrophobicContact CG-CG1 3.76Å; K167-S200 VanDerWaalsContact CD-O 3.29Å; K167-S200 WeakPolarHBondContact CD-O 3.15Å; K167-S200 PolarHBondContact NZ-O 3.02Å; K167-L201 WeakPolarHBondContact CB-O 3.45Å; K167-Y203 HydrophobicContact CD-CE1 4.34Å; K167-Y203 HydrophobicContact CD-CE2 4.08Å |
| 168 | Q | 93 | Very high | 93.5 | Very high | 92 Ų | 92 | 35.8 Ų | 35.8 | 43% | 0.43 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 127.4 | 170.4 | -159.4 | 173 | 25.5 | 0 | 0 | 110.2 | G172 N173 W174 Y203 | Q168-G172 PolarHBondContact NE2-O 3.12Å; Q168-N173 CarbonylContact C-O 3.57Å; Q168-N173 WeakPolarHBondContact CA-O 3.34Å; Q168-W174 HydrophobicContact CB-CE3 4.03Å; Q168-W174 HydrophobicContact CB-CH2 3.93Å; Q168-W174 HydrophobicContact CB-CZ2 4.43Å; Q168-W174 HydrophobicContact CB-CZ3 3.71Å; Q168-W174 HydrophobicContact CG-CH2 4.39Å; Q168-W174 HydrophobicContact CG-CZ2 4.42Å; Q168-W174 HydrophobicContact CG-CZ3 4.48Å; Q168-Y203 VanDerWaalsContact O-CE2 3.29Å; Q168-Y203 WeakPolarHBondContact O-CE2 3.23Å; Q168-Y203 PolarHBondContact O-OH 2.95Å; Q168-Y203 VanDerWaalsContact O-OH 3.13Å |
| 169 | T | 87.8 | Confident | 93.6 | Very high | 26 Ų | 26 | 34.3 Ų | 34.3 | 16% | 0.16 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -84.6 | 162.6 | 175.8 | 49.3 | 0 | 0 | 0 | 0 | 111.5 | D171 G172 N173 L175 Y203 | T169-D171 WeakPolarHBondContact CB-OD1 3.32Å; T169-D171 PolarHBondContact O-N 3.16Å; T169-D171 VanDerWaalsContact O-N 3.15Å; T169-D171 PolarHBondContact OG1-OD1 3.45Å; T169-G172 WeakPolarHBondContact O-CA 3.33Å; T169-G172 PolarHBondContact O-N 3.05Å; T169-N173 PolarHBondContact N-O 2.83Å; T169-N173 WeakPolarHBondContact OG1-CB 3.25Å; T169-N173 PolarHBondContact OG1-N 2.62Å; T169-N173 PolarHBondContact OG1-O 2.98Å; T169-L175 HydrophobicContact CG2-CB 3.74Å; T169-L175 HydrophobicContact CG2-CD2 4.27Å; T169-Y203 WeakPolarHBondContact CA-OH 3.21Å |
| 170 | S | 83.4 | Confident | 93.7 | Very high | 128 Ų | 128 | 35 Ų | 35 | 90% | 0.895 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.5 | -177.4 | 56.7 | 0 | 0 | 0 | 0 | 114 | G172 | S170-G172 VanDerWaalsContact C-N 3.27Š|
| 171 | D | 84.6 | Confident | 93.7 | Very high | 81 Ų | 81 | 36.9 Ų | 36.9 | 43% | 0.433 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 6.7 | 172.9 | 62 | -9.9 | 0 | 0 | 0 | 112.8 | K110 T169 N173 | K110-D171 IonicContact NZ-OD2 2.69Å; K110-D171 PolarHBondContact NZ-OD2 3.41Å; T169-D171 WeakPolarHBondContact CB-OD1 3.32Å; T169-D171 PolarHBondContact O-N 3.16Å; T169-D171 VanDerWaalsContact O-N 3.15Å; T169-D171 PolarHBondContact OG1-OD1 3.45Å; D171-N173 VanDerWaalsContact C-N 3.29Å; D171-N173 PolarHBondContact O-N 3.33Å; D171-N173 PolarHBondContact OD1-N 2.74Å; D171-N173 PolarHBondContact OD1-ND2 3.48Å; D171-N173 PolarHBondContact OD2-ND2 3.29Å |
| 172 | G | 86.6 | Confident | 93.6 | Very high | 38 Ų | 38 | 39.4 Ų | 39.4 | 39% | 0.392 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 83.3 | -4.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | Q168 T169 S170 | Q168-G172 PolarHBondContact NE2-O 3.12Å; T169-G172 WeakPolarHBondContact O-CA 3.33Å; T169-G172 PolarHBondContact O-N 3.05Å; S170-G172 VanDerWaalsContact C-N 3.27Å |
| 173 | N | 89.9 | Confident | 93.6 | Very high | 89 Ų | 89 | 40.4 Ų | 40.4 | 48% | 0.476 | 22% | 0.222 | S | C | . | . | trans | -75 | 164.6 | 178.3 | -66.8 | -50.5 | 0 | 0 | 0 | 112 | Q168 T169 D171 | Q168-N173 CarbonylContact C-O 3.57Å; Q168-N173 WeakPolarHBondContact CA-O 3.34Å; T169-N173 PolarHBondContact N-O 2.83Å; T169-N173 WeakPolarHBondContact OG1-CB 3.25Å; T169-N173 PolarHBondContact OG1-N 2.62Å; T169-N173 PolarHBondContact OG1-O 2.98Å; D171-N173 VanDerWaalsContact C-N 3.29Å; D171-N173 PolarHBondContact O-N 3.33Å; D171-N173 PolarHBondContact OD1-N 2.74Å; D171-N173 PolarHBondContact OD1-ND2 3.48Å; D171-N173 PolarHBondContact OD2-ND2 3.29Å | ||
| 174 | W | 93.3 | Very high | 93.5 | Very high | 65 Ų | 65 | 47.2 Ų | 47.2 | 25% | 0.246 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 127.3 | 171.7 | -67.8 | 102.2 | 0 | 0 | 0 | 109.5 | H166 K167 Q168 T209 K211 | H166-W174 HydrophobicContact CB-CB 4.21Å; H166-W174 HydrophobicContact CB-CD2 4.47Å; H166-W174 HydrophobicContact CB-CE3 3.84Å; K167-W174 VanDerWaalsContact C-CE3 3.45Å; K167-W174 WeakPolarHBondContact O-CA 3.44Å; Q168-W174 HydrophobicContact CB-CE3 4.03Å; Q168-W174 HydrophobicContact CB-CH2 3.93Å; Q168-W174 HydrophobicContact CB-CZ2 4.43Å; Q168-W174 HydrophobicContact CB-CZ3 3.71Å; Q168-W174 HydrophobicContact CG-CH2 4.39Å; Q168-W174 HydrophobicContact CG-CZ2 4.42Å; Q168-W174 HydrophobicContact CG-CZ3 4.48Å; W174-T209 HydrophobicContact CH2-CG2 4.29Å; W174-K211 HydrophobicContact CD2-CB 4.14Å; W174-K211 HydrophobicContact CD2-CD 4.14Å; W174-K211 HydrophobicContact CE3-CB 3.74Å; W174-K211 HydrophobicContact CG-CD 4.4Å; W174-K211 HydrophobicContact CH2-CB 3.78Å; W174-K211 HydrophobicContact CZ2-CB 4.16Å; W174-K211 HydrophobicContact CZ2-CD 4.49Å; W174-K211 HydrophobicContact CZ3-CB 3.54Å |
| 175 | L | 92.3 | Very high | 93.4 | Very high | 25 Ų | 25 | 50.8 Ų | 50.8 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 122.2 | 174.5 | 175.5 | 60.1 | 0 | 0 | 0 | 108.8 | N12 H166 K167 T169 V177 | N12-L175 HydrophobicContact CB-CD2 4.02Å; H166-L175 VanDerWaalsContact CA-O 3.27Å; H166-L175 WeakPolarHBondContact CA-O 3.34Å; K167-L175 HydrophobicContact CG-CB 4.16Å; K167-L175 PolarHBondContact N-O 3.18Å; K167-L175 PolarHBondContact O-N 3.37Å; T169-L175 HydrophobicContact CG2-CB 3.74Å; T169-L175 HydrophobicContact CG2-CD2 4.27Å; L175-V177 HydrophobicContact CG-CG1 4.44Å; L175-V177 PolarHBondContact O-N 2.9Å |
| 176 | M | 94.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 127 | 173 | -170.5 | -170.8 | 64.2 | 0 | 0 | 109.5 | Q58 E164 F165 H166 R179 | Q58-M176 HydrophobicContact CB-CE 4.2Å; Q58-M176 WeakPolarHBondContact O-CE 3.38Å; E164-M176 HydrophobicContact CB-CG 4.34Å; E164-M176 HydrophobicContact CB-SD 4.29Å; E164-M176 HydrophobicContact CG-SD 3.97Å; F165-M176 WeakPolarHBondContact O-CA 3.42Å; H166-M176 VanDerWaalsContact CD2-CA 3.49Å; H166-M176 WeakPolarHBondContact CD2-CA 3.16Å; H166-M176 PolarHBondContact CD2-N 3.44Å; M176-R179 HydrophobicContact SD-CB 4.1Å |
| 177 | V | 94.4 | Very high | 93.4 | Very high | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | -15 | -176.8 | -65 | 0 | 0 | 0 | 0 | 112.7 | F165 K167 L175 S200 L201 | F165-V177 HydrophobicContact CB-CG2 4.21Å; F165-V177 WeakPolarHBondContact O-CG2 3.44Å; F165-V177 PolarHBondContact O-N 3.27Å; K167-V177 HydrophobicContact CB-CG1 4.33Å; K167-V177 HydrophobicContact CD-CG1 3.94Å; K167-V177 HydrophobicContact CG-CG1 3.76Å; L175-V177 HydrophobicContact CG-CG1 4.44Å; L175-V177 PolarHBondContact O-N 2.9Å; V177-S200 VanDerWaalsContact CG1-O 3.32Å; V177-S200 WeakPolarHBondContact CG1-O 3.4Å; V177-L201 HydrophobicContact CG2-CD1 4.17Å |
| 178 | H | 95.9 | Very high | 93.6 | Very high | 37 Ų | 37 | 57.2 Ų | 57.2 | 17% | 0.171 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 145.4 | 174 | -169.3 | 72.3 | 0 | 0 | 0 | 110.8 | E164 F165 F194 I196 | E164-H178 WeakPolarHBondContact CA-O 3.34Å; F165-H178 HydrophobicContact CB-CB 4.08Å; F165-H178 HydrophobicContact CD2-CB 4.35Å; F165-H178 HydrophobicContact CG-CB 4.48Å; F165-H178 PolarHBondContact N-O 2.99Å; F165-H178 PolarHBondContact O-N 2.66Å; H178-F194 AromaticContact CD2-CD2 3.47Å; H178-F194 VanDerWaalsContact CD2-CD2 3.47Å; H178-F194 WeakPolarHBondContact CD2-CD2 2.98Å; H178-F194 AromaticContact CD2-CE2 3.49Å; H178-F194 VanDerWaalsContact CD2-CE2 3.49Å; H178-F194 WeakPolarHBondContact CD2-CE2 3.24Å; H178-F194 AromaticContact CE1-CD2 3.81Å; H178-F194 AromaticContact NE2-CD1 3.97Å; H178-F194 AromaticContact NE2-CD2 3.17Å; H178-F194 WeakPolarHBondContact NE2-CD2 3.5Å; H178-F194 AromaticContact NE2-CE2 3.68Å; H178-F194 AromaticContact NE2-CG 3.35Å; H178-F194 VanDerWaalsContact NE2-CG 3.35Å; H178-F194 WeakPolarHBondContact NE2-CG 3.14Å; H178-I196 HydrophobicContact CB-CD1 3.4Å; H178-I196 HydrophobicContact CB-CG1 3.93Å |
| 179 | R | 96.5 | Very high | 93.9 | Very high | 66 Ų | 66 | 52.9 Ų | 52.9 | 25% | 0.249 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 135 | 168.4 | -174 | -176.7 | -71 | 169.3 | -1.5 | 108.9 | Y162 L163 E164 M176 | Y162-R179 HydrophobicContact CD2-CG 3.68Å; Y162-R179 HydrophobicContact CE2-CG 4.03Å; L163-R179 VanDerWaalsContact O-CA 3.3Å; L163-R179 WeakPolarHBondContact O-CA 3.3Å; E164-R179 HydrophobicContact CG-CG 4.2Å; E164-R179 IonicContact OE1-CZ 3.25Å; E164-R179 IonicContact OE1-NE 3.01Å; E164-R179 PolarHBondContact OE1-NE 3.19Å; E164-R179 IonicContact OE1-NH2 2.83Å; E164-R179 PolarHBondContact OE1-NH2 3.37Å; M176-R179 HydrophobicContact SD-CB 4.1Å |
| 180 | T | 97.4 | Very high | 94.4 | Very high | 13 Ų | 13 | 56 Ų | 56 | 8% | 0.08 | 30% | 0.304 | C | S | . | . | trans | -79.7 | 175.2 | 176.5 | 65.6 | 0 | 0 | 0 | 0 | 111.6 | L163 F165 W191 F194 | L163-T180 HydrophobicContact CB-CG2 3.85Å; L163-T180 HydrophobicContact CD1-CG2 4.44Å; L163-T180 HydrophobicContact CG-CG2 4.44Å; L163-T180 PolarHBondContact N-OG1 3.41Å; L163-T180 PolarHBondContact O-N 3.5Å; F165-T180 HydrophobicContact CE2-CG2 4.45Å; T180-W191 HydrophobicContact CG2-CG 4.43Å; T180-W191 PolarHBondContact OG1-NE1 3.21Å; T180-F194 HydrophobicContact CG2-CD1 4.07Å; T180-F194 HydrophobicContact CG2-CE1 3.59Å; T180-F194 HydrophobicContact CG2-CZ 4.05Å | ||
| 181 | E | 95.9 | Very high | 95.1 | Very high | 66 Ų | 66 | 50.1 Ų | 50.1 | 31% | 0.308 | 26% | 0.263 | S | S | . | . | trans | -66 | 158.2 | 163.9 | 77.5 | -79.4 | -164.3 | 0 | 0 | 112.2 | V183 W191 R192 | E181-V183 HydrophobicContact CG-CG2 4.43Å; E181-W191 PolarHBondContact O-NE1 3.24Å; E181-W191 WeakPolarHBondContact OE1-CA 3.32Å; E181-R192 WeakPolarHBondContact OE1-CB 3.39Å; E181-R192 WeakPolarHBondContact OE1-CG 3.14Å; E181-R192 PolarHBondContact OE1-N 2.88Å | ||
| 182 | V | 96.7 | Very high | 95.7 | Very high | 52 Ų | 52 | 55.6 Ų | 55.6 | 32% | 0.315 | 28% | 0.277 | S | S | . | . | trans | -82.4 | 125.6 | 170 | 176.9 | 0 | 0 | 0 | 0 | 109.2 | D160 Y162 K184 Y217 | D160-V182 HydrophobicContact CB-CG1 3.78Å; D160-V182 WeakPolarHBondContact O-CG1 3.23Å; Y162-V182 HydrophobicContact CD1-CG2 4.05Å; Y162-V182 HydrophobicContact CG-CG2 4.27Å; V182-K184 HydrophobicContact CG1-CG 4.46Å; V182-Y217 HydrophobicContact CG1-CD1 4.35Å; V182-Y217 HydrophobicContact CG1-CG 4.09Å; V182-Y217 HydrophobicContact CG2-CD2 3.98Å; V182-Y217 HydrophobicContact CG2-CG 3.94Å | ||
| 183 | V | 97.8 | Very high | 96.3 | Very high | 26 Ų | 26 | 57.8 Ų | 57.8 | 16% | 0.158 | 28% | 0.284 | C | S | . | . | trans | -102.6 | 107.3 | 175.3 | -178.5 | 0 | 0 | 0 | 0 | 109 | D160 P161 E181 N186 P189 W191 | D160-V183 CarbonylContact C-O 3.53Å; D160-V183 WeakPolarHBondContact CA-O 3.33Å; P161-V183 WeakPolarHBondContact CD-O 3.39Å; P161-V183 PolarHBondContact O-N 3.48Å; E181-V183 HydrophobicContact CG-CG2 4.43Å; V183-N186 HydrophobicContact CG1-CB 3.94Å; V183-P189 HydrophobicContact CB-CB 3.98Å; V183-P189 HydrophobicContact CG1-CB 4.02Å; V183-P189 HydrophobicContact CG2-CB 4.17Å; V183-W191 HydrophobicContact CG2-CG 4.3Å | ||
| 184 | K | 96.4 | Very high | 96.6 | Very high | 150 Ų | 150 | 54.5 Ų | 54.5 | 65% | 0.652 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 141.7 | -170.9 | -63.4 | -170.8 | 172.7 | -166.5 | 0 | 114.7 | D160 V182 N186 | D160-K184 WeakPolarHBondContact OD1-CA 3.46Å; D160-K184 WeakPolarHBondContact OD1-CB 3.41Å; V182-K184 HydrophobicContact CG1-CG 4.46Å; K184-N186 PolarHBondContact O-N 2.77Å |
| 185 | N | 95.9 | Very high | 96.7 | Very high | 92 Ų | 92 | 58.4 Ų | 58.4 | 49% | 0.492 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 49.3 | 168.6 | -169.5 | 16.4 | 0 | 0 | 0 | 112.7 | K158 S159 D160 | K158-N185 WeakPolarHBondContact CB-OD1 3.17Å; K158-N185 WeakPolarHBondContact CD-O 3.1Å; K158-N185 WeakPolarHBondContact CG-OD1 3.49Å; K158-N185 PolarHBondContact N-OD1 3.14Å; K158-N185 WeakPolarHBondContact O-CA 3.42Å; S159-N185 WeakPolarHBondContact O-CA 3.47Å; S159-N185 PolarHBondContact O-N 2.96Å; D160-N185 PolarHBondContact OD1-N 2.98Å |
| 186 | N | 97.1 | Very high | 96.7 | Very high | 47 Ų | 47 | 57.6 Ų | 57.6 | 25% | 0.251 | 28% | 0.28 | S | S | . | . | trans | -147.1 | 111.8 | -169.6 | -165.8 | -6.4 | 0 | 0 | 0 | 114.1 | S159 P161 V183 K184 N188 | S159-N186 PolarHBondContact O-N 2.69Å; P161-N186 VanDerWaalsContact CD-O 3.32Å; P161-N186 WeakPolarHBondContact CD-O 3.27Å; P161-N186 WeakPolarHBondContact CG-O 3.4Å; V183-N186 HydrophobicContact CG1-CB 3.94Å; K184-N186 PolarHBondContact O-N 2.77Å; N186-N188 VanDerWaalsContact C-N 3.3Å; N186-N188 PolarHBondContact O-N 3.37Å; N186-N188 VanDerWaalsContact OD1-C 3.25Å; N186-N188 WeakPolarHBondContact OD1-CA 3.16Å; N186-N188 PolarHBondContact OD1-N 2.63Å; N186-N188 PolarHBondContact OD1-O 2.84Å | ||
| 187 | L | 97.8 | Very high | 96.6 | Very high | 32 Ų | 32 | 59.2 Ų | 59.2 | 17% | 0.168 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -85 | 1.4 | 174.7 | -53.2 | 179.4 | 0 | 0 | 0 | 113.9 | K149 L150 N152 K158 P189 | K149-L187 PolarHBondContact N-O 3.23Å; L150-L187 HydrophobicContact CB-CB 4.35Å; L150-L187 HydrophobicContact CB-CD2 4.38Å; L150-L187 PolarHBondContact N-O 3.2Å; N152-L187 HydrophobicContact CB-CD1 4.13Å; N152-L187 HydrophobicContact CB-CD2 4.02Å; K158-L187 HydrophobicContact CB-CD2 3.93Å; K158-L187 HydrophobicContact CB-CG 3.94Å; K158-L187 HydrophobicContact CD-CG 4.09Å; K158-L187 HydrophobicContact CG-CD1 4.24Å; K158-L187 HydrophobicContact CG-CD2 4.49Å; K158-L187 HydrophobicContact CG-CG 4.02Å; L187-P189 VanDerWaalsContact C-CD 3.47Å |
| 188 | N | 98.4 | Very high | 96.5 | Very high | 69 Ų | 69 | 59.3 Ų | 59.3 | 37% | 0.369 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -134.7 | 57.3 | 177.4 | -55.8 | -87.2 | 0 | 0 | 0 | 110.4 | A147 R148 K149 N186 | A147-N188 CarbonylContact O-C 3.57Å; A147-N188 VanDerWaalsContact O-CA 3.23Å; A147-N188 WeakPolarHBondContact O-CA 3.48Å; R148-N188 WeakPolarHBondContact CA-OD1 3.47Å; K149-N188 PolarHBondContact N-OD1 3.21Å; N186-N188 VanDerWaalsContact C-N 3.3Å; N186-N188 PolarHBondContact O-N 3.37Å; N186-N188 VanDerWaalsContact OD1-C 3.25Å; N186-N188 WeakPolarHBondContact OD1-CA 3.16Å; N186-N188 PolarHBondContact OD1-N 2.63Å; N186-N188 PolarHBondContact OD1-O 2.84Å |
| 189 | P | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -68.5 | 150.5 | -174.8 | 32.6 | -39.2 | 0 | 0 | 0 | 111.9 | E146 A147 L150 P161 V183 L187 W191 | E146-P189 WeakPolarHBondContact CA-O 3.28Å; A147-P189 HydrophobicContact CB-CG 3.92Å; A147-P189 PolarHBondContact N-O 2.99Å; L150-P189 HydrophobicContact CD1-CG 3.8Å; P161-P189 HydrophobicContact CB-CG 4.33Å; P161-P189 HydrophobicContact CG-CB 3.92Å; P161-P189 HydrophobicContact CG-CG 3.63Å; V183-P189 HydrophobicContact CB-CB 3.98Å; V183-P189 HydrophobicContact CG1-CB 4.02Å; V183-P189 HydrophobicContact CG2-CB 4.17Å; L187-P189 VanDerWaalsContact C-CD 3.47Å; P189-W191 HydrophobicContact CB-CD2 4.35Å; P189-W191 HydrophobicContact CB-CE3 4.48Å; P189-W191 HydrophobicContact CB-CH2 4.11Å; P189-W191 HydrophobicContact CB-CZ2 3.92Å; P189-W191 HydrophobicContact CB-CZ3 4.37Å; P189-W191 HydrophobicContact CG-CE3 4.37Å; P189-W191 HydrophobicContact CG-CH2 3.31Å; P189-W191 HydrophobicContact CG-CZ2 3.48Å; P189-W191 VanDerWaalsContact CG-CZ2 3.48Å; P189-W191 HydrophobicContact CG-CZ3 3.78Å | ||
| 190 | V | 98.4 | Very high | 96 | Very high | 92 Ų | 92 | 55.5 Ų | 55.5 | 56% | 0.558 | 28% | 0.279 | S | S | * | . | B | Isolated β-bridge | trans | -123.4 | 114.6 | 162 | 179.7 | 0 | 0 | 0 | 0 | 105.1 | E146 | E146-V190 HydrophobicContact CB-CG2 4.02Å |
| 191 | W | 98.4 | Very high | 95.8 | Very high | 5 Ų | 5 | 54.9 Ų | 54.9 | 2% | 0.019 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 152.5 | 178 | -64.2 | -87.3 | 0 | 0 | 0 | 110 | M145 A147 P161 L163 T180 E181 V183 P189 | M145-W191 HydrophobicContact CB-CE3 3.99Å; M145-W191 PolarHBondContact O-N 3.05Å; M145-W191 VanDerWaalsContact O-N 3.11Å; A147-W191 HydrophobicContact CB-CH2 3.76Å; A147-W191 HydrophobicContact CB-CZ3 3.85Å; P161-W191 HydrophobicContact CB-CZ2 4.04Å; P161-W191 HydrophobicContact CG-CZ2 4.39Å; P161-W191 PolarHBondContact O-NE1 2.83Å; L163-W191 HydrophobicContact CD1-CD2 4.13Å; L163-W191 HydrophobicContact CD1-CE3 3.78Å; L163-W191 HydrophobicContact CD1-CH2 4.01Å; L163-W191 HydrophobicContact CD1-CZ2 4.35Å; L163-W191 HydrophobicContact CD1-CZ3 3.72Å; L163-W191 HydrophobicContact CD2-CH2 3.68Å; L163-W191 HydrophobicContact CD2-CZ2 3.94Å; L163-W191 HydrophobicContact CD2-CZ3 4.21Å; L163-W191 HydrophobicContact CG-CD2 4.21Å; L163-W191 HydrophobicContact CG-CE3 4.22Å; L163-W191 HydrophobicContact CG-CH2 3.74Å; L163-W191 HydrophobicContact CG-CZ2 3.74Å; L163-W191 HydrophobicContact CG-CZ3 4Å; T180-W191 HydrophobicContact CG2-CG 4.43Å; T180-W191 PolarHBondContact OG1-NE1 3.21Å; E181-W191 PolarHBondContact O-NE1 3.24Å; E181-W191 WeakPolarHBondContact OE1-CA 3.32Å; V183-W191 HydrophobicContact CG2-CG 4.3Å; P189-W191 HydrophobicContact CB-CD2 4.35Å; P189-W191 HydrophobicContact CB-CE3 4.48Å; P189-W191 HydrophobicContact CB-CH2 4.11Å; P189-W191 HydrophobicContact CB-CZ2 3.92Å; P189-W191 HydrophobicContact CB-CZ3 4.37Å; P189-W191 HydrophobicContact CG-CE3 4.37Å; P189-W191 HydrophobicContact CG-CH2 3.31Å; P189-W191 HydrophobicContact CG-CZ2 3.48Å; P189-W191 VanDerWaalsContact CG-CZ2 3.48Å; P189-W191 HydrophobicContact CG-CZ3 3.78Å |
| 192 | R | 98 | Very high | 95.6 | Very high | 195 Ų | 195 | 51.8 Ų | 51.8 | 74% | 0.736 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 144 | 175.8 | -70.5 | 177.4 | -175.2 | -178 | 2.8 | 109.8 | E181 F194 | E181-R192 WeakPolarHBondContact OE1-CB 3.39Å; E181-R192 WeakPolarHBondContact OE1-CG 3.14Å; E181-R192 PolarHBondContact OE1-N 2.88Å; R192-F194 WeakPolarHBondContact O-CD1 3.47Å; R192-F194 PolarHBondContact O-N 3.42Å |
| 193 | P | 98 | Very high | 95.3 | Very high | 84 Ų | 84 | 52.7 Ų | 52.7 | 55% | 0.545 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 136.6 | 174.7 | -24.3 | 33.2 | 0 | 0 | 0 | 111.9 | L142 F143 E144 | L142-P193 HydrophobicContact CD1-CB 4.18Å; F143-P193 VanDerWaalsContact O-CA 3.27Å; F143-P193 WeakPolarHBondContact O-CA 3.5Å; E144-P193 HydrophobicContact CG-CB 4.12Å; E144-P193 HydrophobicContact CG-CG 4.1Å |
| 194 | F | 96.4 | Very high | 94.9 | Very high | 21 Ų | 21 | 52.2 Ų | 52.2 | 9% | 0.092 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 163.1 | -179.6 | 60.7 | -93 | 0 | 0 | 0 | 111.6 | F143 M145 F165 H178 T180 R192 I196 | F143-F194 HydrophobicContact CB-CD1 4.35Å; F143-F194 HydrophobicContact CB-CD2 3.96Å; F143-F194 HydrophobicContact CB-CE1 3.88Å; F143-F194 HydrophobicContact CB-CE2 3.44Å; F143-F194 VanDerWaalsContact CB-CE2 3.44Å; F143-F194 HydrophobicContact CB-CG 4.38Å; F143-F194 HydrophobicContact CB-CZ 3.38Å; F143-F194 HydrophobicContact CD2-CD2 4.14Å; F143-F194 AromaticContact CD2-CE2 3.6Å; F143-F194 HydrophobicContact CD2-CE2 3.6Å; F143-F194 HydrophobicContact CD2-CZ 4.29Å; F143-F194 HydrophobicContact CG-CD2 4.41Å; F143-F194 AromaticContact CG-CE2 3.66Å; F143-F194 HydrophobicContact CG-CE2 3.66Å; F143-F194 AromaticContact CG-CZ 3.88Å; F143-F194 HydrophobicContact CG-CZ 3.88Å; F143-F194 PolarHBondContact N-O 2.92Å; F143-F194 PolarHBondContact O-N 3.41Å; F143-F194 VanDerWaalsContact O-N 3.16Å; M145-F194 HydrophobicContact CG-CE1 3.97Å; M145-F194 HydrophobicContact CG-CZ 3.96Å; F165-F194 HydrophobicContact CD2-CE2 4.44Å; F165-F194 HydrophobicContact CD2-CZ 4.36Å; F165-F194 HydrophobicContact CE2-CE1 4.47Å; F165-F194 AromaticContact CE2-CE2 3.94Å; F165-F194 HydrophobicContact CE2-CE2 3.94Å; F165-F194 AromaticContact CE2-CZ 3.47Å; F165-F194 HydrophobicContact CE2-CZ 3.47Å; F165-F194 VanDerWaalsContact CE2-CZ 3.47Å; F165-F194 HydrophobicContact CZ-CE2 4.09Å; F165-F194 AromaticContact CZ-CZ 3.58Å; F165-F194 HydrophobicContact CZ-CZ 3.58Å; H178-F194 AromaticContact CD2-CD2 3.47Å; H178-F194 VanDerWaalsContact CD2-CD2 3.47Å; H178-F194 WeakPolarHBondContact CD2-CD2 2.98Å; H178-F194 AromaticContact CD2-CE2 3.49Å; H178-F194 VanDerWaalsContact CD2-CE2 3.49Å; H178-F194 WeakPolarHBondContact CD2-CE2 3.24Å; H178-F194 AromaticContact CE1-CD2 3.81Å; H178-F194 AromaticContact NE2-CD1 3.97Å; H178-F194 AromaticContact NE2-CD2 3.17Å; H178-F194 WeakPolarHBondContact NE2-CD2 3.5Å; H178-F194 AromaticContact NE2-CE2 3.68Å; H178-F194 AromaticContact NE2-CG 3.35Å; H178-F194 VanDerWaalsContact NE2-CG 3.35Å; H178-F194 WeakPolarHBondContact NE2-CG 3.14Å; T180-F194 HydrophobicContact CG2-CD1 4.07Å; T180-F194 HydrophobicContact CG2-CE1 3.59Å; T180-F194 HydrophobicContact CG2-CZ 4.05Å; R192-F194 WeakPolarHBondContact O-CD1 3.47Å; R192-F194 PolarHBondContact O-N 3.42Å; F194-I196 HydrophobicContact CD2-CD1 4.21Å; F194-I196 HydrophobicContact CD2-CG1 3.95Å; F194-I196 HydrophobicContact CE2-CD1 3.76Å; F194-I196 HydrophobicContact CE2-CG1 4.01Å |
| 195 | K | 95.2 | Very high | 94.7 | Very high | 147 Ų | 147 | 48.3 Ų | 48.3 | 64% | 0.639 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 136.4 | -178.9 | -63.7 | 179.4 | -176.7 | 177.3 | 0 | 110.8 | V141 L142 | V141-K195 VanDerWaalsContact O-CA 3.31Å; V141-K195 WeakPolarHBondContact O-CA 3.5Å; L142-K195 HydrophobicContact CD1-CG 3.96Å |
| 196 | I | 93.9 | Very high | 94.6 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 137.5 | 169.5 | -48.5 | 177.2 | 0 | 0 | 0 | 108 | V140 V141 F143 F165 H178 F194 L201 | V140-I196 WeakPolarHBondContact CA-O 3.37Å; V141-I196 PolarHBondContact N-O 3.18Å; V141-I196 PolarHBondContact O-N 2.88Å; V141-I196 VanDerWaalsContact O-N 3.09Å; F143-I196 HydrophobicContact CD2-CD1 4.18Å; F143-I196 HydrophobicContact CD2-CG1 4.19Å; F143-I196 HydrophobicContact CE2-CB 4.24Å; F143-I196 HydrophobicContact CE2-CD1 3.95Å; F143-I196 HydrophobicContact CE2-CG1 4.14Å; F165-I196 HydrophobicContact CB-CD1 4.2Å; F165-I196 HydrophobicContact CD1-CD1 4.14Å; F165-I196 HydrophobicContact CD2-CD1 4.38Å; F165-I196 HydrophobicContact CG-CD1 3.98Å; H178-I196 HydrophobicContact CB-CD1 3.4Å; H178-I196 HydrophobicContact CB-CG1 3.93Å; F194-I196 HydrophobicContact CD2-CD1 4.21Å; F194-I196 HydrophobicContact CD2-CG1 3.95Å; F194-I196 HydrophobicContact CE2-CD1 3.76Å; F194-I196 HydrophobicContact CE2-CG1 4.01Å; I196-L201 HydrophobicContact CD1-CD1 4.22Å; I196-L201 HydrophobicContact CG2-CB 3.87Å; I196-L201 HydrophobicContact CG2-CD1 4.4Å |
| 197 | S | 92.6 | Very high | 94.4 | Very high | 36 Ų | 36 | 50.3 Ų | 50.3 | 25% | 0.252 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 142.5 | 172.6 | 84.2 | 0 | 0 | 0 | 0 | 110.4 | N199 S200 L201 | S197-N199 PolarHBondContact O-N 3.36Å; S197-S200 PolarHBondContact O-N 2.72Å; S197-S200 WeakPolarHBondContact OG-CB 3.45Å; S197-S200 PolarHBondContact OG-N 2.74Å; S197-S200 PolarHBondContact OG-OG 2.93Å; S197-L201 WeakPolarHBondContact O-CB 3.35Å; S197-L201 PolarHBondContact O-N 3.45Å |
| 198 | L | 92.2 | Very high | 94.3 | Very high | 9 Ų | 9 | 52.9 Ų | 52.9 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.1 | -33.3 | 175.6 | -83.7 | -177.5 | 0 | 0 | 0 | 111.5 | R139 V141 L201 C202 Y203 G204 M206 M233 | R139-L198 HydrophobicContact CB-CB 4.36Å; R139-L198 HydrophobicContact CB-CD1 3.7Å; R139-L198 HydrophobicContact CB-CG 4.22Å; R139-L198 PolarHBondContact O-N 3.39Å; V141-L198 HydrophobicContact CG2-CD2 3.29Å; V141-L198 HydrophobicContact CG2-CG 3.72Å; L198-L201 PolarHBondContact O-N 3.46Å; L198-C202 CarbonylContact O-C 3.54Å; L198-C202 PolarHBondContact O-N 2.75Å; L198-C202 PolarHBondContact O-SG 2.69Å; L198-Y203 PolarHBondContact O-N 3.06Å; L198-G204 PolarHBondContact O-N 3.04Å; L198-M206 HydrophobicContact CD1-CG 4.43Å; L198-M206 HydrophobicContact CD2-CG 4.35Å; L198-M233 HydrophobicContact CD2-CG 4.35Å |
| 199 | N | 91.6 | Very high | 94.1 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.7 | -49.7 | 174 | -163.2 | 90.9 | 0 | 0 | 0 | 111.3 | E134 K136 S197 Y203 | E134-N199 PolarHBondContact O-OD1 2.85Å; K136-N199 PolarHBondContact N-OD1 3.42Å; S197-N199 PolarHBondContact O-N 3.36Å; N199-Y203 VanDerWaalsContact O-CA 3.23Å; N199-Y203 WeakPolarHBondContact O-CA 3.49Å; N199-Y203 PolarHBondContact O-N 2.99Å |
| 200 | S | 90.3 | Very high | 94 | Very high | 15 Ų | 15 | 52.2 Ų | 52.2 | 11% | 0.105 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.2 | -37.6 | 178 | -62.6 | 0 | 0 | 0 | 0 | 112.3 | K167 V177 S197 | K167-S200 VanDerWaalsContact CD-O 3.29Å; K167-S200 WeakPolarHBondContact CD-O 3.15Å; K167-S200 PolarHBondContact NZ-O 3.02Å; V177-S200 VanDerWaalsContact CG1-O 3.32Å; V177-S200 WeakPolarHBondContact CG1-O 3.4Å; S197-S200 PolarHBondContact O-N 2.72Å; S197-S200 WeakPolarHBondContact OG-CB 3.45Å; S197-S200 PolarHBondContact OG-N 2.74Å; S197-S200 PolarHBondContact OG-OG 2.93Å |
| 201 | L | 92.7 | Very high | 94 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -78.9 | -40.8 | -173.4 | -173.1 | 60.8 | 0 | 0 | 0 | 113 | F143 F165 K167 V177 I196 S197 L198 I210 M233 | F143-L201 HydrophobicContact CE2-CD2 3.86Å; F143-L201 HydrophobicContact CZ-CD2 3.6Å; F165-L201 HydrophobicContact CB-CD1 4.42Å; F165-L201 HydrophobicContact CD1-CD1 4.3Å; K167-L201 WeakPolarHBondContact CB-O 3.45Å; V177-L201 HydrophobicContact CG2-CD1 4.17Å; I196-L201 HydrophobicContact CD1-CD1 4.22Å; I196-L201 HydrophobicContact CG2-CB 3.87Å; I196-L201 HydrophobicContact CG2-CD1 4.4Å; S197-L201 WeakPolarHBondContact O-CB 3.35Å; S197-L201 PolarHBondContact O-N 3.45Å; L198-L201 PolarHBondContact O-N 3.46Å; L201-I210 HydrophobicContact CD1-CD1 4.23Å; L201-I210 HydrophobicContact CD1-CG2 3.98Å; L201-I210 HydrophobicContact CG-CG2 3.93Å; L201-I210 WeakPolarHBondContact O-CG2 3.32Å; L201-M233 HydrophobicContact CD2-CE 4.08Å; L201-M233 HydrophobicContact CD2-CG 4.26Å; L201-M233 HydrophobicContact CD2-SD 3.45Å; L201-M233 WeakPolarHBondContact CD2-SD 3.37Å |
| 202 | C | 92.2 | Very high | 94 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.014 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -151.5 | 23.6 | -170.3 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | L198 G204 D205 K208 I210 | L198-C202 CarbonylContact O-C 3.54Å; L198-C202 PolarHBondContact O-N 2.75Å; L198-C202 PolarHBondContact O-SG 2.69Å; C202-G204 PolarHBondContact O-N 3.3Å; C202-D205 VanDerWaalsContact CB-O 3.27Å; C202-D205 WeakPolarHBondContact CB-O 3.2Å; C202-D205 PolarHBondContact O-N 2.67Å; C202-D205 PolarHBondContact SG-O 3.11Å; C202-D205 VanDerWaalsContact SG-O 3.42Å; C202-K208 HydrophobicContact CB-CB 4.24Å; C202-I210 HydrophobicContact CB-CG2 4.34Å |
| 203 | Y | 89.6 | Confident | 94 | Very high | 70 Ų | 70 | 40.5 Ų | 40.5 | 28% | 0.275 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 23.3 | -175.5 | -50.4 | -86.1 | 0 | 0 | 0 | 114.4 | E133 K167 Q168 T169 L198 N199 D205 K208 | E133-Y203 HydrophobicContact CG-CE1 4.44Å; E133-Y203 VanDerWaalsContact OE1-CE1 3.24Å; E133-Y203 WeakPolarHBondContact OE1-CE1 3.34Å; K167-Y203 HydrophobicContact CD-CE1 4.34Å; K167-Y203 HydrophobicContact CD-CE2 4.08Å; Q168-Y203 VanDerWaalsContact O-CE2 3.29Å; Q168-Y203 WeakPolarHBondContact O-CE2 3.23Å; Q168-Y203 PolarHBondContact O-OH 2.95Å; Q168-Y203 VanDerWaalsContact O-OH 3.13Å; T169-Y203 WeakPolarHBondContact CA-OH 3.21Å; L198-Y203 PolarHBondContact O-N 3.06Å; N199-Y203 VanDerWaalsContact O-CA 3.23Å; N199-Y203 WeakPolarHBondContact O-CA 3.49Å; N199-Y203 PolarHBondContact O-N 2.99Å; Y203-D205 PolarHBondContact O-N 3.11Å; Y203-K208 HydrophobicContact CD2-CD 3.77Å; Y203-K208 HydrophobicContact CE2-CD 4.49Å |
| 204 | G | 90.1 | Very high | 94 | Very high | 17 Ų | 17 | 37.2 Ų | 37.2 | 18% | 0.175 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -2.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R139 L198 C202 | R139-G204 PolarHBondContact NH2-O 2.91Å; L198-G204 PolarHBondContact O-N 3.04Å; C202-G204 PolarHBondContact O-N 3.3Å |
| 205 | D | 91.8 | Very high | 94.1 | Very high | 67 Ų | 67 | 38.3 Ų | 38.3 | 36% | 0.358 | 19% | 0.194 | S | C | . | . | trans | -102.4 | 101.2 | -177.7 | -176.7 | -4.5 | 0 | 0 | 0 | 110.1 | C202 Y203 D207 K208 | C202-D205 VanDerWaalsContact CB-O 3.27Å; C202-D205 WeakPolarHBondContact CB-O 3.2Å; C202-D205 PolarHBondContact O-N 2.67Å; C202-D205 PolarHBondContact SG-O 3.11Å; C202-D205 VanDerWaalsContact SG-O 3.42Å; Y203-D205 PolarHBondContact O-N 3.11Å; D205-D207 PolarHBondContact O-N 2.6Å; D205-D207 PolarHBondContact OD1-N 2.72Å; D205-K208 HydrophobicContact CB-CD 4.1Å; D205-K208 HydrophobicContact CB-CG 3.99Å; D205-K208 WeakPolarHBondContact O-CB 3.45Å; D205-K208 PolarHBondContact O-N 3.45Å; D205-K208 VanDerWaalsContact O-N 3.09Å | ||
| 206 | M | 93.3 | Very high | 94.2 | Very high | 69 Ų | 69 | 31.3 Ų | 31.3 | 34% | 0.34 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -17.4 | -173.9 | -72.1 | 169.7 | 26.6 | 0 | 0 | 113.9 | L198 K208 T232 M233 T234 | L198-M206 HydrophobicContact CD1-CG 4.43Å; L198-M206 HydrophobicContact CD2-CG 4.35Å; M206-K208 VanDerWaalsContact C-N 3.31Å; M206-T232 WeakPolarHBondContact O-CB 3Å; M206-M233 HydrophobicContact CB-CB 3.9Å; M206-M233 HydrophobicContact CG-CB 3.95Å; M206-M233 PolarHBondContact O-N 2.79Å; M206-T234 HydrophobicContact CB-CG2 4.05Å; M206-T234 HydrophobicContact CE-CG2 3.71Å |
| 207 | D | 94.3 | Very high | 94.2 | Very high | 112 Ų | 112 | 32.5 Ų | 32.5 | 60% | 0.599 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -8.5 | 177.7 | -64.3 | -39.1 | 0 | 0 | 0 | 112.3 | D205 T232 T234 | D205-D207 PolarHBondContact O-N 2.6Å; D205-D207 PolarHBondContact OD1-N 2.72Å; D207-T232 VanDerWaalsContact O-CG2 3.3Å; D207-T232 WeakPolarHBondContact O-CG2 3.43Å; D207-T234 WeakPolarHBondContact OD1-CG2 3.16Å |
| 208 | K | 93.6 | Very high | 94.1 | Very high | 87 Ų | 87 | 32.2 Ų | 32.2 | 38% | 0.378 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -74.2 | 133.6 | 173.7 | -73.3 | -171.3 | 178.5 | -172.6 | 0 | 111.5 | C202 Y203 D205 M206 I210 | C202-K208 HydrophobicContact CB-CB 4.24Å; Y203-K208 HydrophobicContact CD2-CD 3.77Å; Y203-K208 HydrophobicContact CE2-CD 4.49Å; D205-K208 HydrophobicContact CB-CD 4.1Å; D205-K208 HydrophobicContact CB-CG 3.99Å; D205-K208 WeakPolarHBondContact O-CB 3.45Å; D205-K208 PolarHBondContact O-N 3.45Å; D205-K208 VanDerWaalsContact O-N 3.09Å; M206-K208 VanDerWaalsContact C-N 3.31Å; K208-I210 PolarHBondContact O-N 3.5Å |
| 209 | T | 95.1 | Very high | 93.8 | Very high | 52 Ų | 52 | 37.1 Ų | 37.1 | 32% | 0.319 | 19% | 0.19 | S | C | . | . | trans | -62.6 | 130.7 | 175.5 | -51.3 | 0 | 0 | 0 | 0 | 111.4 | W174 Q230 T231 | W174-T209 HydrophobicContact CH2-CG2 4.29Å; T209-Q230 HydrophobicContact CG2-CB 3.76Å; T209-Q230 HydrophobicContact CG2-CG 4.24Å; T209-T231 WeakPolarHBondContact CA-O 3.32Å | ||
| 210 | I | 96.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 155.5 | 164.1 | 66.1 | 152.9 | 0 | 0 | 0 | 109.4 | F165 H166 L201 C202 K208 V212 Q230 T231 M233 | F165-I210 HydrophobicContact CD1-CD1 4.24Å; H166-I210 WeakPolarHBondContact O-CA 3.27Å; L201-I210 HydrophobicContact CD1-CD1 4.23Å; L201-I210 HydrophobicContact CD1-CG2 3.98Å; L201-I210 HydrophobicContact CG-CG2 3.93Å; L201-I210 WeakPolarHBondContact O-CG2 3.32Å; C202-I210 HydrophobicContact CB-CG2 4.34Å; K208-I210 PolarHBondContact O-N 3.5Å; I210-V212 HydrophobicContact CD1-CG2 4.05Å; I210-Q230 VanDerWaalsContact O-CA 3.25Å; I210-Q230 WeakPolarHBondContact O-CA 3.26Å; I210-T231 HydrophobicContact CD1-CG2 4.01Å; I210-T231 HydrophobicContact CG1-CG2 3.78Å; I210-T231 VanDerWaalsContact CG1-O 3.26Å; I210-T231 WeakPolarHBondContact CG1-O 3.36Å; I210-T231 PolarHBondContact N-O 2.91Å; I210-T231 PolarHBondContact O-N 3.17Å; I210-M233 HydrophobicContact CD1-CE 3.24Å; I210-M233 HydrophobicContact CG1-CE 3.81Å |
| 211 | K | 98.1 | Very high | 92.9 | Very high | 23 Ų | 23 | 41.5 Ų | 41.5 | 10% | 0.1 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 134.6 | 173.2 | 180 | -173.5 | 66.1 | 151 | 0 | 109 | H166 W174 E213 F229 Q230 | H166-K211 HydrophobicContact CB-CB 4.15Å; H166-K211 PolarHBondContact N-O 2.76Å; H166-K211 PolarHBondContact O-N 3.29Å; W174-K211 HydrophobicContact CD2-CB 4.14Å; W174-K211 HydrophobicContact CD2-CD 4.14Å; W174-K211 HydrophobicContact CE3-CB 3.74Å; W174-K211 HydrophobicContact CG-CD 4.4Å; W174-K211 HydrophobicContact CH2-CB 3.78Å; W174-K211 HydrophobicContact CZ2-CB 4.16Å; W174-K211 HydrophobicContact CZ2-CD 4.49Å; W174-K211 HydrophobicContact CZ3-CB 3.54Å; K211-E213 HydrophobicContact CD-CG 4.28Å; K211-E213 WeakPolarHBondContact CE-OE1 3.49Å; K211-E213 WeakPolarHBondContact CE-OE2 3.22Å; K211-E213 HydrophobicContact CG-CG 4.29Å; K211-E213 IonicContact NZ-OE1 2.69Å; K211-E213 PolarHBondContact NZ-OE1 3.34Å; K211-E213 IonicContact NZ-OE2 3.35Å; K211-E213 PolarHBondContact NZ-OE2 3.22Å; K211-F229 WeakPolarHBondContact CA-O 3.37Å; K211-Q230 HydrophobicContact CB-CG 3.99Å; K211-Q230 HydrophobicContact CG-CG 4.06Å |
| 212 | V | 98.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 128.7 | 173.8 | -175 | 0 | 0 | 0 | 0 | 108.3 | L163 E164 F165 I210 T228 F229 | L163-V212 HydrophobicContact CB-CG1 4.46Å; L163-V212 HydrophobicContact CD2-CG1 4.39Å; E164-V212 WeakPolarHBondContact O-CA 3.12Å; F165-V212 HydrophobicContact CD1-CG2 3.65Å; F165-V212 HydrophobicContact CE1-CG1 4.41Å; F165-V212 HydrophobicContact CE1-CG2 3.64Å; F165-V212 HydrophobicContact CE2-CG1 4.35Å; F165-V212 HydrophobicContact CG-CG2 4.31Å; F165-V212 HydrophobicContact CZ-CG1 4.22Å; F165-V212 HydrophobicContact CZ-CG2 4.27Å; I210-V212 HydrophobicContact CD1-CG2 4.05Å; V212-T228 WeakPolarHBondContact O-CA 3.32Å; V212-T228 PolarHBondContact O-OG1 3.39Å; V212-F229 HydrophobicContact CB-CD1 4.03Å; V212-F229 HydrophobicContact CB-CD2 4.44Å; V212-F229 HydrophobicContact CB-CE1 3.5Å; V212-F229 VanDerWaalsContact CB-CE1 3.5Å; V212-F229 HydrophobicContact CB-CE2 3.95Å; V212-F229 HydrophobicContact CB-CG 4.49Å; V212-F229 HydrophobicContact CB-CZ 3.45Å; V212-F229 VanDerWaalsContact CB-CZ 3.45Å; V212-F229 HydrophobicContact CG1-CD1 4.5Å; V212-F229 HydrophobicContact CG1-CE1 3.68Å; V212-F229 HydrophobicContact CG1-CZ 3.84Å; V212-F229 HydrophobicContact CG2-CE1 4.18Å; V212-F229 HydrophobicContact CG2-CE2 3.83Å; V212-F229 HydrophobicContact CG2-CZ 3.59Å; V212-F229 PolarHBondContact N-O 3.23Å; V212-F229 PolarHBondContact O-N 2.86Å |
| 213 | E | 98.4 | Very high | 92.7 | Very high | 22 Ų | 22 | 46.5 Ų | 46.5 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 135.2 | 177.9 | -73.7 | 168 | 154.6 | 0 | 0 | 109.1 | L163 E164 H166 K211 Y215 L225 T228 | L163-E213 CarbonylContact C-O 3.53Å; L163-E213 WeakPolarHBondContact CA-O 3.49Å; E164-E213 PolarHBondContact N-O 2.95Å; E164-E213 PolarHBondContact O-N 3.31Å; H166-E213 IonicContact CE1-OE2 3.48Å; H166-E213 PolarHBondContact CE1-OE2 2.98Å; H166-E213 IonicContact ND1-OE2 2.72Å; H166-E213 PolarHBondContact ND1-OE2 3.48Å; H166-E213 IonicContact NE2-OE2 2.82Å; K211-E213 HydrophobicContact CD-CG 4.28Å; K211-E213 WeakPolarHBondContact CE-OE1 3.49Å; K211-E213 WeakPolarHBondContact CE-OE2 3.22Å; K211-E213 HydrophobicContact CG-CG 4.29Å; K211-E213 IonicContact NZ-OE1 2.69Å; K211-E213 PolarHBondContact NZ-OE1 3.34Å; K211-E213 IonicContact NZ-OE2 3.35Å; K211-E213 PolarHBondContact NZ-OE2 3.22Å; E213-Y215 HydrophobicContact CB-CD2 4.03Å; E213-Y215 HydrophobicContact CB-CE2 3.44Å; E213-Y215 VanDerWaalsContact CB-CE2 3.44Å; E213-Y215 HydrophobicContact CG-CE2 4.38Å; E213-L225 HydrophobicContact CB-CD1 4.08Å; E213-L225 HydrophobicContact CG-CD1 4.27Å; E213-T228 WeakPolarHBondContact CG-OG1 3.05Å |
| 214 | C | 98.5 | Very high | 92.9 | Very high | 14 Ų | 14 | 46.9 Ų | 46.9 | 10% | 0.095 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 122.9 | 173.9 | -172.6 | 0 | 0 | 0 | 0 | 108 | Y162 L163 I226 G227 | Y162-C214 WeakPolarHBondContact O-CA 3.35Å; L163-C214 HydrophobicContact CD2-CB 3.71Å; C214-I226 HydrophobicContact CB-CB 4.43Å; C214-I226 WeakPolarHBondContact O-CA 3.24Å; C214-I226 WeakPolarHBondContact O-CB 3.39Å; C214-I226 PolarHBondContact O-N 3.47Å; C214-G227 PolarHBondContact N-O 2.57Å; C214-G227 PolarHBondContact O-N 3.26Å |
| 215 | Y | 97.9 | Very high | 93.3 | Very high | 45 Ų | 45 | 49.7 Ų | 49.7 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 153 | -179 | -75.3 | -86.9 | 0 | 0 | 0 | 110.7 | P161 Y162 E164 E213 H223 D224 L225 | P161-Y215 CarbonylContact C-O 3.59Å; P161-Y215 WeakPolarHBondContact CA-O 3.17Å; Y162-Y215 VanDerWaalsContact CE1-CB 3.42Å; Y162-Y215 HydrophobicContact CE1-CG 4.48Å; Y162-Y215 HydrophobicContact CE2-CD2 4.22Å; Y162-Y215 HydrophobicContact CE2-CG 4.38Å; Y162-Y215 AromaticContact CZ-CG 3.97Å; Y162-Y215 PolarHBondContact N-O 3.35Å; Y162-Y215 PolarHBondContact O-N 2.95Å; Y162-Y215 WeakPolarHBondContact OH-CB 3.36Å; E164-Y215 HydrophobicContact CG-CD2 4.13Å; E164-Y215 HydrophobicContact CG-CE2 4.3Å; E164-Y215 WeakPolarHBondContact OE2-CE2 3.4Å; E213-Y215 HydrophobicContact CB-CD2 4.03Å; E213-Y215 HydrophobicContact CB-CE2 3.44Å; E213-Y215 VanDerWaalsContact CB-CE2 3.44Å; E213-Y215 HydrophobicContact CG-CE2 4.38Å; Y215-H223 HydrophobicContact CD1-CB 4.39Å; Y215-D224 CarbonylContact C-O 3.49Å; Y215-D224 WeakPolarHBondContact CA-O 3.24Å; Y215-L225 HydrophobicContact CD1-CB 4.17Å; Y215-L225 HydrophobicContact CD1-CD1 4.18Å; Y215-L225 HydrophobicContact CD2-CD1 4.42Å; Y215-L225 HydrophobicContact CE1-CB 3.85Å; Y215-L225 HydrophobicContact CE1-CD1 3.78Å; Y215-L225 HydrophobicContact CE1-CG 4.42Å; Y215-L225 HydrophobicContact CE2-CD1 4.07Å; Y215-L225 HydrophobicContact CG-CD1 4.47Å |
| 216 | D | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 134 | 164.3 | -162 | 2.5 | 0 | 0 | 0 | 109.8 | K153 S159 D160 D218 H223 D224 I226 | K153-D216 HydrophobicContact CB-CB 4.22Å; K153-D216 WeakPolarHBondContact CB-OD2 3.28Å; K153-D216 HydrophobicContact CG-CB 4.19Å; S159-D216 VanDerWaalsContact CA-OD1 3.23Å; S159-D216 WeakPolarHBondContact CA-OD1 3.48Å; S159-D216 VanDerWaalsContact CA-OD2 3.26Å; S159-D216 WeakPolarHBondContact CA-OD2 3.39Å; S159-D216 WeakPolarHBondContact CB-OD1 3.43Å; S159-D216 WeakPolarHBondContact CB-OD2 3.21Å; S159-D216 VanDerWaalsContact OG-CG 3.29Å; S159-D216 PolarHBondContact OG-OD2 3.02Å; D160-D216 WeakPolarHBondContact CA-OD1 3.17Å; D160-D216 PolarHBondContact N-OD1 3.07Å; D216-D218 PolarHBondContact O-N 3.18Å; D216-H223 CarbonylContact O-C 3.58Å; D216-H223 VanDerWaalsContact O-CA 3.24Å; D216-H223 WeakPolarHBondContact O-CA 3.43Å; D216-H223 VanDerWaalsContact O-CB 3.24Å; D216-H223 WeakPolarHBondContact O-CB 3.07Å; D216-D224 HydrophobicContact CB-CB 4.17Å; D216-D224 PolarHBondContact N-O 2.93Å; D216-D224 PolarHBondContact O-N 3.39Å; D216-I226 HydrophobicContact CB-CD1 4.04Å; D216-I226 HydrophobicContact CB-CG1 4.11Å |
| 217 | Y | 94.8 | Very high | 93.8 | Very high | 32 Ų | 32 | 45.7 Ų | 45.7 | 13% | 0.125 | 25% | 0.252 | C | S | . | . | trans | -88.5 | 108.8 | -176.9 | 175.9 | -93.3 | 0 | 0 | 0 | 112.1 | K52 D160 Y162 V182 N219 H223 | K52-Y217 WeakPolarHBondContact CD-OH 3.37Å; D160-Y217 WeakPolarHBondContact O-CB 3.03Å; D160-Y217 PolarHBondContact O-N 2.83Å; D160-Y217 VanDerWaalsContact O-N 3.11Å; Y162-Y217 HydrophobicContact CE1-CD2 4.49Å; V182-Y217 HydrophobicContact CG1-CD1 4.35Å; V182-Y217 HydrophobicContact CG1-CG 4.09Å; V182-Y217 HydrophobicContact CG2-CD2 3.98Å; V182-Y217 HydrophobicContact CG2-CG 3.94Å; Y217-N219 WeakPolarHBondContact CE1-OD1 3.5Å; Y217-H223 AromaticContact CD2-CE1 3.22Å; Y217-H223 WeakPolarHBondContact CD2-CE1 3.31Å; Y217-H223 AromaticContact CD2-ND1 3.69Å; Y217-H223 AromaticContact CD2-NE2 3.89Å; Y217-H223 AromaticContact CE2-CE1 3.27Å; Y217-H223 WeakPolarHBondContact CE2-CE1 3.48Å; Y217-H223 AromaticContact CE2-NE2 3.89Å | ||
| 218 | D | 89.9 | Confident | 94 | Very high | 30 Ų | 30 | 44.1 Ų | 44.1 | 16% | 0.16 | 25% | 0.246 | C | C | . | . | trans | -93.8 | 137.7 | 166.6 | -59.8 | -70.8 | 0 | 0 | 0 | 114.4 | D216 D220 G221 H223 D224 | D216-D218 PolarHBondContact O-N 3.18Å; D218-D220 VanDerWaalsContact C-N 3.26Å; D218-D220 WeakPolarHBondContact CB-OD1 3.09Å; D218-D220 PolarHBondContact O-N 3.15Å; D218-G221 PolarHBondContact O-N 3.19Å; D218-G221 VanDerWaalsContact O-N 3.15Å; D218-H223 PolarHBondContact N-ND1 2.96Å; D218-H223 PolarHBondContact O-CE1 2.68Å; D218-H223 PolarHBondContact O-ND1 3.37Å; D218-H223 WeakPolarHBondContact OD2-CA 3.23Å; D218-D224 PolarHBondContact OD2-N 3.43Å | ||
| 219 | N | 85.1 | Confident | 94.1 | Very high | 112 Ų | 112 | 44.6 Ų | 44.6 | 60% | 0.599 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -25.1 | -176.8 | -72.7 | -66 | 0 | 0 | 0 | 113.9 | N53 Y217 G221 | N53-N219 PolarHBondContact ND2-O 3.27Å; Y217-N219 WeakPolarHBondContact CE1-OD1 3.5Å; N219-G221 VanDerWaalsContact C-N 3.25Å; N219-G221 PolarHBondContact O-N 2.96Å |
| 220 | D | 81.4 | Confident | 94.3 | Very high | 91 Ų | 91 | 47.8 Ų | 47.8 | 49% | 0.487 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 0.3 | 179.2 | 64.5 | -1.1 | 0 | 0 | 0 | 113.8 | K26 D218 S222 | K26-D220 PolarHBondContact NZ-O 3.47Å; D218-D220 VanDerWaalsContact C-N 3.26Å; D218-D220 WeakPolarHBondContact CB-OD1 3.09Å; D218-D220 PolarHBondContact O-N 3.15Å; D220-S222 VanDerWaalsContact CG-OG 3.27Å; D220-S222 PolarHBondContact OD1-N 3.08Å; D220-S222 PolarHBondContact OD1-OG 3.23Å; D220-S222 PolarHBondContact OD2-OG 2.71Å |
| 221 | G | 83.2 | Confident | 94.2 | Very high | 22 Ų | 22 | 50.4 Ų | 50.4 | 23% | 0.227 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 81.8 | 6.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D218 N219 H223 | D218-G221 PolarHBondContact O-N 3.19Å; D218-G221 VanDerWaalsContact O-N 3.15Å; N219-G221 VanDerWaalsContact C-N 3.25Å; N219-G221 PolarHBondContact O-N 2.96Å; G221-H223 VanDerWaalsContact C-N 3.29Å; G221-H223 PolarHBondContact O-N 2.88Å |
| 222 | S | 87.4 | Confident | 94.1 | Very high | 66 Ų | 66 | 51.3 Ų | 51.3 | 46% | 0.462 | 28% | 0.284 | S | S | . | . | trans | -91.3 | 57.1 | 172 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | D220 D224 | D220-S222 VanDerWaalsContact CG-OG 3.27Å; D220-S222 PolarHBondContact OD1-N 3.08Å; D220-S222 PolarHBondContact OD1-OG 3.23Å; D220-S222 PolarHBondContact OD2-OG 2.71Å; S222-D224 PolarHBondContact O-N 2.92Å | ||
| 223 | H | 91.5 | Very high | 93.8 | Very high | 42 Ų | 42 | 53.4 Ų | 53.4 | 19% | 0.194 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 126.2 | -178.8 | -52.4 | -39 | 0 | 0 | 0 | 113 | Y162 Y215 D216 Y217 D218 G221 | Y162-H223 HydrophobicContact CE1-CB 4.38Å; Y162-H223 PolarHBondContact OH-CD2 3.28Å; Y215-H223 HydrophobicContact CD1-CB 4.39Å; D216-H223 CarbonylContact O-C 3.58Å; D216-H223 VanDerWaalsContact O-CA 3.24Å; D216-H223 WeakPolarHBondContact O-CA 3.43Å; D216-H223 VanDerWaalsContact O-CB 3.24Å; D216-H223 WeakPolarHBondContact O-CB 3.07Å; Y217-H223 AromaticContact CD2-CE1 3.22Å; Y217-H223 WeakPolarHBondContact CD2-CE1 3.31Å; Y217-H223 AromaticContact CD2-ND1 3.69Å; Y217-H223 AromaticContact CD2-NE2 3.89Å; Y217-H223 AromaticContact CE2-CE1 3.27Å; Y217-H223 WeakPolarHBondContact CE2-CE1 3.48Å; Y217-H223 AromaticContact CE2-NE2 3.89Å; D218-H223 PolarHBondContact N-ND1 2.96Å; D218-H223 PolarHBondContact O-CE1 2.68Å; D218-H223 PolarHBondContact O-ND1 3.37Å; D218-H223 WeakPolarHBondContact OD2-CA 3.23Å; G221-H223 VanDerWaalsContact C-N 3.29Å; G221-H223 PolarHBondContact O-N 2.88Å |
| 224 | D | 95.2 | Very high | 93.1 | Very high | 77 Ų | 77 | 58.4 Ų | 58.4 | 41% | 0.412 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 131.6 | -178.6 | -82.9 | -38.2 | 0 | 0 | 0 | 113.4 | K153 Y215 D216 D218 S222 I226 | K153-D224 HydrophobicContact CB-CB 4.05Å; K153-D224 HydrophobicContact CG-CB 4.03Å; Y215-D224 CarbonylContact C-O 3.49Å; Y215-D224 WeakPolarHBondContact CA-O 3.24Å; D216-D224 HydrophobicContact CB-CB 4.17Å; D216-D224 PolarHBondContact N-O 2.93Å; D216-D224 PolarHBondContact O-N 3.39Å; D218-D224 PolarHBondContact OD2-N 3.43Å; S222-D224 PolarHBondContact O-N 2.92Å; D224-I226 PolarHBondContact O-N 3.44Å |
| 225 | L | 97.4 | Very high | 92.9 | Very high | 77 Ų | 77 | 60.7 Ų | 60.7 | 40% | 0.403 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 121.4 | 173.9 | -177.5 | 69.8 | 0 | 0 | 0 | 110.5 | K153 E213 Y215 | K153-L225 VanDerWaalsContact CE-O 3.31Å; K153-L225 WeakPolarHBondContact CE-O 3.3Å; E213-L225 HydrophobicContact CB-CD1 4.08Å; E213-L225 HydrophobicContact CG-CD1 4.27Å; Y215-L225 HydrophobicContact CD1-CB 4.17Å; Y215-L225 HydrophobicContact CD1-CD1 4.18Å; Y215-L225 HydrophobicContact CD2-CD1 4.42Å; Y215-L225 HydrophobicContact CE1-CB 3.85Å; Y215-L225 HydrophobicContact CE1-CD1 3.78Å; Y215-L225 HydrophobicContact CE1-CG 4.42Å; Y215-L225 HydrophobicContact CE2-CD1 4.07Å; Y215-L225 HydrophobicContact CG-CD1 4.47Å |
| 226 | I | 97.8 | Very high | 92.6 | Very high | 21 Ų | 21 | 61.5 Ų | 61.5 | 11% | 0.108 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -49.2 | 172.6 | -58.5 | 176.2 | 0 | 0 | 0 | 109.9 | L150 D151 K153 P161 C214 D216 D224 | L150-I226 HydrophobicContact CB-CG2 4.28Å; L150-I226 HydrophobicContact CD1-CD1 4.44Å; L150-I226 HydrophobicContact CD2-CG2 4.15Å; D151-I226 HydrophobicContact CB-CG2 4.28Å; K153-I226 HydrophobicContact CG-CG1 4.06Å; P161-I226 HydrophobicContact CB-CD1 4.14Å; C214-I226 HydrophobicContact CB-CB 4.43Å; C214-I226 WeakPolarHBondContact O-CA 3.24Å; C214-I226 WeakPolarHBondContact O-CB 3.39Å; C214-I226 PolarHBondContact O-N 3.47Å; D216-I226 HydrophobicContact CB-CD1 4.04Å; D216-I226 HydrophobicContact CB-CG1 4.11Å; D224-I226 PolarHBondContact O-N 3.44Å |
| 227 | G | 97.8 | Very high | 92.4 | Very high | 31 Ų | 31 | 64.9 Ų | 64.9 | 32% | 0.32 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172 | 168.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | C214 | C214-G227 PolarHBondContact N-O 2.57Å; C214-G227 PolarHBondContact O-N 3.26Å |
| 228 | T | 98.1 | Very high | 92.2 | Very high | 78 Ų | 78 | 66.8 Ų | 66.8 | 48% | 0.479 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 149 | -179.2 | -174.5 | 0 | 0 | 0 | 0 | 111 | V212 E213 | V212-T228 WeakPolarHBondContact O-CA 3.32Å; V212-T228 PolarHBondContact O-OG1 3.39Å; E213-T228 WeakPolarHBondContact CG-OG1 3.05Å |
| 229 | F | 97.4 | Very high | 92.4 | Very high | 98 Ų | 98 | 69.1 Ų | 69.1 | 43% | 0.43 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 158.9 | 166.1 | 68.6 | -88.8 | 0 | 0 | 0 | 111.1 | M145 K211 V212 T231 | M145-F229 HydrophobicContact CE-CZ 4.44Å; K211-F229 WeakPolarHBondContact CA-O 3.37Å; V212-F229 HydrophobicContact CB-CD1 4.03Å; V212-F229 HydrophobicContact CB-CD2 4.44Å; V212-F229 HydrophobicContact CB-CE1 3.5Å; V212-F229 VanDerWaalsContact CB-CE1 3.5Å; V212-F229 HydrophobicContact CB-CE2 3.95Å; V212-F229 HydrophobicContact CB-CG 4.49Å; V212-F229 HydrophobicContact CB-CZ 3.45Å; V212-F229 VanDerWaalsContact CB-CZ 3.45Å; V212-F229 HydrophobicContact CG1-CD1 4.5Å; V212-F229 HydrophobicContact CG1-CE1 3.68Å; V212-F229 HydrophobicContact CG1-CZ 3.84Å; V212-F229 HydrophobicContact CG2-CE1 4.18Å; V212-F229 HydrophobicContact CG2-CE2 3.83Å; V212-F229 HydrophobicContact CG2-CZ 3.59Å; V212-F229 PolarHBondContact N-O 3.23Å; V212-F229 PolarHBondContact O-N 2.86Å; F229-T231 HydrophobicContact CD2-CG2 4.17Å; F229-T231 HydrophobicContact CE2-CG2 3.78Å |
| 230 | Q | 97.6 | Very high | 92.9 | Very high | 118 Ų | 118 | 66.3 Ų | 66.3 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 139.6 | 172 | -70.1 | -177.5 | 31.6 | 0 | 0 | 109.2 | T209 I210 K211 | T209-Q230 HydrophobicContact CG2-CB 3.76Å; T209-Q230 HydrophobicContact CG2-CG 4.24Å; I210-Q230 VanDerWaalsContact O-CA 3.25Å; I210-Q230 WeakPolarHBondContact O-CA 3.26Å; K211-Q230 HydrophobicContact CB-CG 3.99Å; K211-Q230 HydrophobicContact CG-CG 4.06Å |
| 231 | T | 96.1 | Very high | 93.7 | Very high | 57 Ų | 57 | 64.5 Ų | 64.5 | 35% | 0.35 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 169.2 | -179.3 | -167.9 | 0 | 0 | 0 | 0 | 110.5 | T209 I210 F229 | T209-T231 WeakPolarHBondContact CA-O 3.32Å; I210-T231 HydrophobicContact CD1-CG2 4.01Å; I210-T231 HydrophobicContact CG1-CG2 3.78Å; I210-T231 VanDerWaalsContact CG1-O 3.26Å; I210-T231 WeakPolarHBondContact CG1-O 3.36Å; I210-T231 PolarHBondContact N-O 2.91Å; I210-T231 PolarHBondContact O-N 3.17Å; F229-T231 HydrophobicContact CD2-CG2 4.17Å; F229-T231 HydrophobicContact CE2-CG2 3.78Å |
| 232 | T | 95.6 | Very high | 94.5 | Very high | 43 Ų | 43 | 67.8 Ų | 67.8 | 26% | 0.264 | 38% | 0.383 | S | S | . | . | trans | -102 | 177 | 165.5 | 55 | 0 | 0 | 0 | 0 | 109.8 | M206 D207 T234 | M206-T232 WeakPolarHBondContact O-CB 3Å; D207-T232 VanDerWaalsContact O-CG2 3.3Å; D207-T232 WeakPolarHBondContact O-CG2 3.43Å; T232-T234 VanDerWaalsContact C-N 3.29Å; T232-T234 PolarHBondContact OG1-OG1 2.9Å | ||
| 233 | M | 91.3 | Very high | 95.1 | Very high | 46 Ų | 46 | 67.9 Ų | 67.9 | 23% | 0.227 | 38% | 0.376 | C | S | . | . | trans | -87.4 | -0.6 | 172.9 | -65.5 | -66.8 | 95.2 | 0 | 0 | 113.1 | F143 L198 L201 M206 I210 | F143-M233 HydrophobicContact CE1-SD 4.48Å; F143-M233 HydrophobicContact CZ-CE 4.3Å; F143-M233 HydrophobicContact CZ-SD 3.92Å; L198-M233 HydrophobicContact CD2-CG 4.35Å; L201-M233 HydrophobicContact CD2-CE 4.08Å; L201-M233 HydrophobicContact CD2-CG 4.26Å; L201-M233 HydrophobicContact CD2-SD 3.45Å; L201-M233 WeakPolarHBondContact CD2-SD 3.37Å; M206-M233 HydrophobicContact CB-CB 3.9Å; M206-M233 HydrophobicContact CG-CB 3.95Å; M206-M233 PolarHBondContact O-N 2.79Å; I210-M233 HydrophobicContact CD1-CE 3.24Å; I210-M233 HydrophobicContact CG1-CE 3.81Å | ||
| 234 | T | 84.9 | Confident | 95.4 | Very high | 127 Ų | 127 | 70.3 Ų | 70.3 | 78% | 0.779 | 39% | 0.393 | S | S | * | . | trans | -94 | 0 | -179 | 40.8 | 0 | 0 | 0 | 0 | 113.3 | M206 D207 T232 | M206-T234 HydrophobicContact CB-CG2 4.05Å; M206-T234 HydrophobicContact CE-CG2 3.71Å; D207-T234 WeakPolarHBondContact OD1-CG2 3.16Å; T232-T234 VanDerWaalsContact C-N 3.29Å; T232-T234 PolarHBondContact OG1-OG1 2.9Å |
Retrieved 234 of 234 residues in 1333.2 ms
(Link to these results)