| 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 | 36.7 | Very low | 79 | Confident | 234 Ų | 234 | 85.6 Ų | 85.6 | 100% | 1.153 | 49% | 0.486 | S | S | * | . | 0 | 117.1 | 0 | -62.6 | -172.5 | -132.5 | 0 | 0 | 105.7 | N3 | M1-N3 PolarHBondContact O-N 3.35Š| |||
| 2 | S | 44.8 | Very low | 80.6 | Confident | 93 Ų | 93 | 78.5 Ų | 78.5 | 65% | 0.65 | 45% | 0.445 | S | S | * | . | trans | -70.7 | 118.8 | 179.1 | 47.7 | 0 | 0 | 0 | 0 | 108.2 | E4 | S2-E4 PolarHBondContact O-N 3.1Å; S2-E4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | N | 57.1 | Low | 82 | Confident | 71 Ų | 71 | 72.5 Ų | 72.5 | 38% | 0.38 | 41% | 0.411 | S | S | . | . | trans | -81 | 31.1 | 173 | -71.4 | -25.2 | 0 | 0 | 0 | 110.6 | M1 G5 G6 I8 R38 | M1-N3 PolarHBondContact O-N 3.35Å; N3-G5 PolarHBondContact O-N 2.93Å; N3-G6 PolarHBondContact O-N 2.72Å; N3-G6 VanDerWaalsContact O-N 3.16Å; N3-I8 HydrophobicContact CB-CD1 4.01Å; N3-I8 HydrophobicContact CB-CG1 3.83Å; N3-R38 PolarHBondContact O-NH2 2.84Å | ||
| 4 | E | 66.8 | Low | 83.2 | Confident | 138 Ų | 138 | 67.3 Ų | 67.3 | 65% | 0.645 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 105.2 | -176.7 | -84.4 | -179.9 | 157.5 | 0 | 0 | 109.1 | S2 | S2-E4 PolarHBondContact O-N 3.1Å; S2-E4 VanDerWaalsContact O-N 3.1Å |
| 5 | G | 78.9 | Confident | 84.2 | Confident | 61 Ų | 61 | 62.8 Ų | 62.8 | 63% | 0.629 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.3 | -8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | N3 | N3-G5 PolarHBondContact O-N 2.93Š|
| 6 | G | 93.9 | Very high | 85.1 | Confident | 27 Ų | 27 | 61.7 Ų | 61.7 | 28% | 0.278 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -103.4 | 158.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N3 R38 | N3-G6 PolarHBondContact O-N 2.72Å; N3-G6 VanDerWaalsContact O-N 3.16Å; G6-R38 PolarHBondContact O-NH1 2.85Å |
| 7 | P | 96.7 | Very high | 85.8 | Confident | 74 Ų | 74 | 59.9 Ų | 59.9 | 48% | 0.481 | 34% | 0.34 | S | S | . | . | trans | -59.6 | 147.8 | 165.3 | -20.9 | 32.9 | 0 | 0 | 0 | 111.8 | L28 V29 | P7-L28 HydrophobicContact CB-CD2 4.29Å; P7-V29 CarbonylContact C-O 3.56Å; P7-V29 VanDerWaalsContact CA-O 3.31Å; P7-V29 WeakPolarHBondContact CA-O 3.3Å | ||
| 8 | I | 98.2 | Very high | 86.5 | Confident | 5 Ų | 5 | 59.3 Ų | 59.3 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 128.6 | 175.9 | -65.5 | -178.6 | 0 | 0 | 0 | 109.4 | N3 C10 L28 V29 R38 Y151 | N3-I8 HydrophobicContact CB-CD1 4.01Å; N3-I8 HydrophobicContact CB-CG1 3.83Å; I8-C10 HydrophobicContact CG2-CB 4.21Å; I8-L28 CarbonylContact O-C 3.51Å; I8-L28 WeakPolarHBondContact O-CA 3.33Å; I8-V29 HydrophobicContact CB-CB 4.5Å; I8-V29 PolarHBondContact N-O 3.01Å; I8-V29 PolarHBondContact O-N 3.07Å; I8-R38 VanDerWaalsContact CD1-CZ 3.42Å; I8-Y151 HydrophobicContact CD1-CD1 3.94Å; I8-Y151 HydrophobicContact CD1-CE1 3.99Å; I8-Y151 HydrophobicContact CD1-CG 4.29Å; I8-Y151 HydrophobicContact CG2-CD2 3.79Å; I8-Y151 HydrophobicContact CG2-CE2 3.97Å; I8-Y151 HydrophobicContact CG2-CG 4.24Å |
| 9 | E | 98.1 | Very high | 86.9 | Confident | 143 Ų | 143 | 59.4 Ų | 59.4 | 67% | 0.668 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 124.9 | 163 | -75 | -171.3 | -173.8 | 0 | 0 | 110.4 | T26 V27 L28 | E9-T26 HydrophobicContact CB-CG2 4.14Å; E9-T26 HydrophobicContact CG-CG2 4.43Å; E9-V27 WeakPolarHBondContact CA-O 3.13Å; E9-L28 HydrophobicContact CG-CD2 3.36Å; E9-L28 HydrophobicContact CG-CG 4.2Å |
| 10 | C | 98.5 | Very high | 87.4 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 5% | 0.047 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 173.3 | 177.1 | 73.9 | 0 | 0 | 0 | 0 | 112.7 | I8 T26 V27 Q150 Y151 | I8-C10 HydrophobicContact CG2-CB 4.21Å; C10-T26 CarbonylContact O-C 3.54Å; C10-T26 WeakPolarHBondContact O-CA 3.39Å; C10-V27 PolarHBondContact N-O 2.82Å; C10-V27 PolarHBondContact O-N 2.75Å; C10-Q150 HydrophobicContact CB-CB 3.93Å; C10-Y151 HydrophobicContact CB-CD2 3.75Å; C10-Y151 HydrophobicContact CB-CE2 4.34Å |
| 11 | K | 98.7 | Very high | 87.8 | Confident | 89 Ų | 89 | 62.5 Ų | 62.5 | 39% | 0.387 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 138.2 | 174.4 | -64.5 | -59 | -172.8 | -176.6 | 0 | 111.8 | I24 E25 T26 Q150 | K11-I24 HydrophobicContact CD-CG2 4.3Å; K11-E25 WeakPolarHBondContact CA-O 3.3Å; K11-T26 PolarHBondContact NZ-OG1 3.39Å; K11-Q150 HydrophobicContact CB-CG 4.4Å; K11-Q150 PolarHBondContact O-N 2.86Å |
| 12 | A | 98.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 153.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | I24 E25 V27 I66 F148 | A12-I24 WeakPolarHBondContact O-CA 3.41Å; A12-E25 PolarHBondContact N-O 2.88Å; A12-E25 PolarHBondContact O-N 2.94Å; A12-V27 HydrophobicContact CB-CB 4.49Å; A12-V27 HydrophobicContact CB-CG1 3.9Å; A12-V27 HydrophobicContact CB-CG2 3.7Å; A12-I66 HydrophobicContact CB-CD1 3.79Å; A12-I66 HydrophobicContact CB-CG1 4.26Å; A12-F148 CarbonylContact C-O 3.57Å; A12-F148 WeakPolarHBondContact CA-O 3.38Å |
| 13 | A | 98.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 114 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | L22 K23 I24 F148 L356 I359 | A13-L22 HydrophobicContact CB-CB 4.23Å; A13-L22 HydrophobicContact CB-CD1 4.2Å; A13-K23 WeakPolarHBondContact CA-O 3.49Å; A13-I24 HydrophobicContact CB-CD1 3.7Å; A13-F148 HydrophobicContact CB-CB 4.19Å; A13-F148 PolarHBondContact N-O 3.1Å; A13-L356 HydrophobicContact CB-CD1 4.31Å; A13-I359 HydrophobicContact CB-CD1 3.9Å; A13-I359 HydrophobicContact CB-CG2 3.92Å |
| 14 | I | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 129.4 | -178.1 | -54.6 | -178.8 | 0 | 0 | 0 | 109.5 | W16 L22 K23 E25 V27 P64 I66 C134 I139 | I14-W16 HydrophobicContact CD1-CH2 4.49Å; I14-W16 HydrophobicContact CD1-CZ2 3.88Å; I14-W16 HydrophobicContact CG2-CD2 3.97Å; I14-W16 HydrophobicContact CG2-CG 4.15Å; I14-W16 HydrophobicContact CG2-CZ2 4.31Å; I14-L22 WeakPolarHBondContact O-CA 3.31Å; I14-K23 PolarHBondContact N-O 3.38Å; I14-K23 PolarHBondContact O-N 3.24Å; I14-E25 HydrophobicContact CD1-CB 3.85Å; I14-E25 HydrophobicContact CD1-CG 4Å; I14-E25 HydrophobicContact CG1-CB 4.38Å; I14-E25 HydrophobicContact CG1-CG 4.46Å; I14-V27 HydrophobicContact CD1-CG1 3.65Å; I14-V27 HydrophobicContact CG1-CG1 4.23Å; I14-P64 HydrophobicContact CG2-CB 4.18Å; I14-I66 HydrophobicContact CG1-CG1 4.2Å; I14-C134 HydrophobicContact CD1-CB 3.76Å; I14-I139 HydrophobicContact CD1-CD1 4.35Å; I14-I139 HydrophobicContact CD1-CG1 4.36Å; I14-I139 HydrophobicContact CG2-CG2 4.28Å |
| 15 | A | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -85.3 | 106.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | L22 L54 F63 P64 V65 L67 | A15-L22 HydrophobicContact CB-CD2 3.54Å; A15-L54 HydrophobicContact CB-CD1 3.68Å; A15-F63 HydrophobicContact CB-CD1 3.94Å; A15-F63 HydrophobicContact CB-CE1 3.78Å; A15-P64 CarbonylContact O-C 3.53Å; A15-P64 VanDerWaalsContact O-CA 3.27Å; A15-P64 WeakPolarHBondContact O-CA 3.46Å; A15-V65 HydrophobicContact CB-CG1 3.92Å; A15-V65 PolarHBondContact N-O 2.87Å; A15-V65 PolarHBondContact O-N 3.43Å; A15-L67 HydrophobicContact CB-CD1 4.26Å; A15-L67 HydrophobicContact CB-CG 4.44Å |
| 16 | W | 98.2 | Very high | 97.7 | Very high | 45 Ų | 45 | 46.1 Ų | 46.1 | 17% | 0.17 | 27% | 0.27 | C | S | . | . | trans | -78.8 | -33.8 | -178 | -74.6 | 96.7 | 0 | 0 | 0 | 112.8 | I14 E25 P64 C134 I139 | I14-W16 HydrophobicContact CD1-CH2 4.49Å; I14-W16 HydrophobicContact CD1-CZ2 3.88Å; I14-W16 HydrophobicContact CG2-CD2 3.97Å; I14-W16 HydrophobicContact CG2-CG 4.15Å; I14-W16 HydrophobicContact CG2-CZ2 4.31Å; W16-E25 HydrophobicContact CZ2-CG 4.26Å; W16-P64 HydrophobicContact CD2-CB 4.41Å; W16-P64 HydrophobicContact CE3-CB 3.72Å; W16-P64 HydrophobicContact CE3-CG 4.25Å; W16-P64 HydrophobicContact CZ3-CB 4.11Å; W16-P64 HydrophobicContact CZ3-CG 4.24Å; W16-C134 HydrophobicContact CH2-CB 4.25Å; W16-C134 HydrophobicContact CZ2-CB 4.5Å; W16-I139 HydrophobicContact CH2-CD1 4.04Å; W16-I139 HydrophobicContact CZ3-CD1 4.06Å | ||
| 17 | A | 97.8 | Very high | 97.9 | Very high | 32 Ų | 32 | 44.9 Ų | 44.9 | 26% | 0.264 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -150 | 160.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110 | E20 | A17-E20 HydrophobicContact CB-CG 4.13Å; A17-E20 PolarHBondContact O-N 3.39Å |
| 18 | A | 97.1 | Very high | 98 | Very high | 49 Ų | 49 | 44.5 Ų | 44.5 | 41% | 0.405 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 137.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E20 L54 F63 | A18-E20 PolarHBondContact O-N 2.77Å; A18-L54 CarbonylContact C-O 3.46Å; A18-L54 WeakPolarHBondContact CA-O 3.44Å; A18-F63 HydrophobicContact CB-CD2 4.42Å; A18-F63 HydrophobicContact CB-CE2 3.76Å; A18-F63 HydrophobicContact CB-CZ 3.83Å |
| 19 | G | 95.7 | Very high | 98 | Very high | 61 Ų | 61 | 44.2 Ų | 44.2 | 63% | 0.629 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76 | -4.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | L54 | G19-L54 PolarHBondContact N-O 2.84Š|
| 20 | E | 96.6 | Very high | 98 | Very high | 87 Ų | 87 | 39.3 Ų | 39.3 | 41% | 0.407 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -87.9 | 149.5 | 176.1 | -68.8 | -167.8 | -167.9 | 0 | 0 | 112.2 | A17 A18 K23 | A17-E20 HydrophobicContact CB-CG 4.13Å; A17-E20 PolarHBondContact O-N 3.39Å; A18-E20 PolarHBondContact O-N 2.77Å; E20-K23 IonicContact OE2-NZ 3.83Å |
| 21 | P | 95.9 | Very high | 98 | Very high | 96 Ų | 96 | 40.7 Ų | 40.7 | 62% | 0.623 | 24% | 0.236 | S | C | * | . | P | Polyproline II helix | trans | -58.8 | 144.7 | 171.2 | -22.9 | 33.3 | 0 | 0 | 0 | 112.5 | ||
| 22 | L | 98.1 | Very high | 98 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 137.9 | 173.1 | -59.3 | -178.4 | 0 | 0 | 0 | 110.7 | A13 I14 A15 L54 L67 F148 I359 I363 | A13-L22 HydrophobicContact CB-CB 4.23Å; A13-L22 HydrophobicContact CB-CD1 4.2Å; I14-L22 WeakPolarHBondContact O-CA 3.31Å; A15-L22 HydrophobicContact CB-CD2 3.54Å; L22-L54 HydrophobicContact CD2-CD1 3.8Å; L22-L54 HydrophobicContact CD2-CD2 4.18Å; L22-L54 HydrophobicContact CG-CD2 4.24Å; L22-L67 HydrophobicContact CD2-CD1 4.26Å; L22-F148 HydrophobicContact CD1-CD2 4.05Å; L22-F148 HydrophobicContact CD1-CE2 4.2Å; L22-I359 HydrophobicContact CB-CG2 4.2Å; L22-I359 HydrophobicContact CD1-CD1 3.74Å; L22-I359 HydrophobicContact CD1-CG1 4.1Å; L22-I359 HydrophobicContact CD1-CG2 4.13Å; L22-I363 HydrophobicContact CD1-CD1 3.62Å; L22-I363 HydrophobicContact CG-CD1 4.15Å |
| 23 | K | 98 | Very high | 97.9 | Very high | 90 Ų | 90 | 42.2 Ų | 42.2 | 39% | 0.391 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 129 | 176.8 | -64.2 | -177.3 | -173 | 157.6 | 0 | 110.6 | A13 I14 E20 E25 | A13-K23 WeakPolarHBondContact CA-O 3.49Å; I14-K23 PolarHBondContact N-O 3.38Å; I14-K23 PolarHBondContact O-N 3.24Å; E20-K23 IonicContact OE2-NZ 3.83Å; K23-E25 HydrophobicContact CB-CG 4.27Å; K23-E25 PolarHBondContact O-N 3.44Å |
| 24 | I | 98.5 | Very high | 97.9 | Very high | 60 Ų | 60 | 44.5 Ų | 44.5 | 31% | 0.308 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 111 | 173.6 | -57 | -63.7 | 0 | 0 | 0 | 108.9 | K11 A12 A13 L356 I359 | K11-I24 HydrophobicContact CD-CG2 4.3Å; A12-I24 WeakPolarHBondContact O-CA 3.41Å; A13-I24 HydrophobicContact CB-CD1 3.7Å; I24-L356 HydrophobicContact CD1-CG 4.31Å; I24-L356 WeakPolarHBondContact CD1-O 3.27Å; I24-I359 HydrophobicContact CD1-CG2 3.98Å |
| 25 | E | 98.4 | Very high | 97.8 | Very high | 31 Ų | 31 | 48.4 Ų | 48.4 | 15% | 0.145 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 161.4 | -176.6 | -62.5 | -72.8 | 165.8 | 0 | 0 | 110.4 | K11 A12 I14 W16 K23 R135 | K11-E25 WeakPolarHBondContact CA-O 3.3Å; A12-E25 PolarHBondContact N-O 2.88Å; A12-E25 PolarHBondContact O-N 2.94Å; I14-E25 HydrophobicContact CD1-CB 3.85Å; I14-E25 HydrophobicContact CD1-CG 4Å; I14-E25 HydrophobicContact CG1-CB 4.38Å; I14-E25 HydrophobicContact CG1-CG 4.46Å; W16-E25 HydrophobicContact CZ2-CG 4.26Å; K23-E25 HydrophobicContact CB-CG 4.27Å; K23-E25 PolarHBondContact O-N 3.44Å; E25-R135 IonicContact OE1-CZ 3.69Å; E25-R135 IonicContact OE1-NE 2.67Å; E25-R135 IonicContact OE1-NH2 3.09Å; E25-R135 PolarHBondContact OE1-NH2 2.97Å; E25-R135 IonicContact OE2-CZ 2.74Å; E25-R135 IonicContact OE2-NE 3.5Å; E25-R135 PolarHBondContact OE2-NE 2.88Å; E25-R135 IonicContact OE2-NH2 3.32Å; E25-R135 PolarHBondContact OE2-NH2 3.06Å |
| 26 | T | 98.5 | Very high | 97.8 | Very high | 62 Ų | 62 | 48.6 Ų | 48.6 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 126.7 | 161.3 | -59.8 | 0 | 0 | 0 | 0 | 108.3 | E9 C10 K11 C134 | E9-T26 HydrophobicContact CB-CG2 4.14Å; E9-T26 HydrophobicContact CG-CG2 4.43Å; C10-T26 CarbonylContact O-C 3.54Å; C10-T26 WeakPolarHBondContact O-CA 3.39Å; K11-T26 PolarHBondContact NZ-OG1 3.39Å; T26-C134 PolarHBondContact O-SG 3.12Å |
| 27 | V | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 152 | 177.8 | -57.8 | 0 | 0 | 0 | 0 | 110.5 | E9 C10 A12 I14 V29 I66 S133 C134 | E9-V27 WeakPolarHBondContact CA-O 3.13Å; C10-V27 PolarHBondContact N-O 2.82Å; C10-V27 PolarHBondContact O-N 2.75Å; A12-V27 HydrophobicContact CB-CB 4.49Å; A12-V27 HydrophobicContact CB-CG1 3.9Å; A12-V27 HydrophobicContact CB-CG2 3.7Å; I14-V27 HydrophobicContact CD1-CG1 3.65Å; I14-V27 HydrophobicContact CG1-CG1 4.23Å; V27-V29 HydrophobicContact CG2-CG2 4.04Å; V27-I66 HydrophobicContact CG1-CD1 4.46Å; V27-S133 WeakPolarHBondContact CA-O 3.4Å; V27-C134 HydrophobicContact CG1-CB 4.02Å |
| 28 | L | 98.5 | Very high | 97.9 | Very high | 65 Ų | 65 | 45 Ų | 45 | 34% | 0.34 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 126.2 | 165.9 | -74.4 | 165.8 | 0 | 0 | 0 | 108.9 | P7 I8 E9 F132 S133 | P7-L28 HydrophobicContact CB-CD2 4.29Å; I8-L28 CarbonylContact O-C 3.51Å; I8-L28 WeakPolarHBondContact O-CA 3.33Å; E9-L28 HydrophobicContact CG-CD2 3.36Å; E9-L28 HydrophobicContact CG-CG 4.2Å; L28-F132 WeakPolarHBondContact O-CA 3.4Å; L28-S133 WeakPolarHBondContact CB-OG 3.24Å; L28-S133 PolarHBondContact N-O 3.14Å; L28-S133 PolarHBondContact O-N 2.85Å |
| 29 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 107.8 | 175.2 | -170.5 | 0 | 0 | 0 | 0 | 108.8 | P7 I8 V27 R131 F132 V153 | P7-V29 CarbonylContact C-O 3.56Å; P7-V29 VanDerWaalsContact CA-O 3.31Å; P7-V29 WeakPolarHBondContact CA-O 3.3Å; I8-V29 HydrophobicContact CB-CB 4.5Å; I8-V29 PolarHBondContact N-O 3.01Å; I8-V29 PolarHBondContact O-N 3.07Å; V27-V29 HydrophobicContact CG2-CG2 4.04Å; V29-R131 CarbonylContact C-O 3.55Å; V29-R131 WeakPolarHBondContact CA-O 3.22Å; V29-F132 HydrophobicContact CB-CD1 4.46Å; V29-F132 HydrophobicContact CB-CE1 4.4Å; V29-F132 HydrophobicContact CG1-CD1 4.27Å; V29-F132 HydrophobicContact CG1-CE1 3.91Å; V29-F132 HydrophobicContact CG2-CD1 3.9Å; V29-F132 HydrophobicContact CG2-CE1 3.79Å; V29-V153 HydrophobicContact CG1-CG2 3.81Å |
| 30 | D | 98.2 | Very high | 98.2 | Very high | 39 Ų | 39 | 44.5 Ų | 44.5 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -58.6 | 152.3 | 178.3 | -70.1 | -25.6 | 0 | 0 | 0 | 111.1 | R131 K138 V153 | D30-R131 HydrophobicContact CB-CB 4.2Å; D30-R131 PolarHBondContact N-O 2.76Å; D30-K138 IonicContact OD2-NZ 3.27Å; D30-V153 WeakPolarHBondContact O-CG2 3.42Å |
| 31 | P | 98.2 | Very high | 98.3 | Very high | 37 Ų | 37 | 41.2 Ų | 41.2 | 24% | 0.24 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 155.1 | 172.4 | 29.4 | -36 | 0 | 0 | 0 | 111.6 | ||
| 32 | P | 98.3 | Very high | 98.4 | Very high | 20 Ų | 20 | 39.7 Ų | 39.7 | 13% | 0.13 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 136.7 | 176.6 | 28.4 | -31.7 | 0 | 0 | 0 | 110.9 | E36 R38 S77 V153 | P32-E36 HydrophobicContact CB-CB 3.72Å; P32-E36 WeakPolarHBondContact CB-O 3.13Å; P32-R38 HydrophobicContact CB-CB 4.48Å; P32-R38 HydrophobicContact CG-CB 4.08Å; P32-S77 VanDerWaalsContact CD-OG 3.22Å; P32-S77 WeakPolarHBondContact CD-OG 3.34Å; P32-S77 VanDerWaalsContact CG-OG 3.3Å; P32-S77 WeakPolarHBondContact CG-OG 3.48Å; P32-V153 HydrophobicContact CB-CG1 4.17Å |
| 33 | K | 97.7 | Very high | 98.4 | Very high | 101 Ų | 101 | 40 Ų | 40 | 44% | 0.439 | 21% | 0.214 | S | C | . | . | trans | -85 | -175.8 | 167.5 | -60.4 | -168.3 | -167.3 | 169.6 | 0 | 110.8 | N35 E36 G79 D127 R131 | K33-N35 PolarHBondContact O-N 2.59Å; K33-E36 PolarHBondContact N-OE2 2.79Å; K33-E36 WeakPolarHBondContact O-CB 3.3Å; K33-E36 PolarHBondContact O-N 3.16Å; K33-G79 VanDerWaalsContact O-CA 3.22Å; K33-G79 WeakPolarHBondContact O-CA 3.42Å; K33-D127 WeakPolarHBondContact CD-OD2 3.31Å; K33-D127 WeakPolarHBondContact CE-OD2 3.38Å; K33-D127 IonicContact NZ-OD2 2.89Å; K33-D127 PolarHBondContact NZ-OD2 2.82Å; K33-R131 VanDerWaalsContact CD-NH2 3.27Å | ||
| 34 | A | 97.4 | Very high | 98.5 | Very high | 47 Ų | 47 | 37.7 Ų | 37.7 | 39% | 0.388 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | 132.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E36 E81 | A34-E36 VanDerWaalsContact C-N 3.26Å; A34-E36 PolarHBondContact O-N 2.89Å; A34-E81 HydrophobicContact CB-CB 4.49Å; A34-E81 HydrophobicContact CB-CG 3.76Å |
| 35 | N | 98 | Very high | 98.4 | Very high | 82 Ų | 82 | 35.8 Ų | 35.8 | 44% | 0.439 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 21.6 | -177.5 | -48.9 | -83.5 | 0 | 0 | 0 | 115.3 | K33 E81 E156 | K33-N35 PolarHBondContact O-N 2.59Å; N35-E81 WeakPolarHBondContact OD1-CB 3.29Å; N35-E156 WeakPolarHBondContact O-CB 3.26Å; N35-E156 PolarHBondContact O-N 2.86Å |
| 36 | E | 98.7 | Very high | 98.3 | Very high | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.023 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 152.9 | 177.9 | -59.9 | 175.7 | 173.2 | 0 | 0 | 111.8 | P32 K33 A34 G79 V82 M125 R131 V153 V154 | P32-E36 HydrophobicContact CB-CB 3.72Å; P32-E36 WeakPolarHBondContact CB-O 3.13Å; K33-E36 PolarHBondContact N-OE2 2.79Å; K33-E36 WeakPolarHBondContact O-CB 3.3Å; K33-E36 PolarHBondContact O-N 3.16Å; A34-E36 VanDerWaalsContact C-N 3.26Å; A34-E36 PolarHBondContact O-N 2.89Å; E36-G79 PolarHBondContact O-N 3.27Å; E36-V82 VanDerWaalsContact O-CG2 3.29Å; E36-V82 WeakPolarHBondContact O-CG2 3.41Å; E36-M125 HydrophobicContact CB-CE 4.5Å; E36-M125 HydrophobicContact CG-CE 3.8Å; E36-R131 VanDerWaalsContact CD-NH2 3.28Å; E36-R131 IonicContact OE1-CZ 2.58Å; E36-R131 IonicContact OE1-NE 2.77Å; E36-R131 IonicContact OE1-NH2 2.79Å; E36-R131 PolarHBondContact OE1-NH2 2.9Å; E36-R131 IonicContact OE2-CZ 3.36Å; E36-R131 VanDerWaalsContact OE2-CZ 3.32Å; E36-R131 IonicContact OE2-NE 3.39Å; E36-R131 PolarHBondContact OE2-NE 3Å; E36-R131 IonicContact OE2-NH2 3.88Å; E36-R131 PolarHBondContact OE2-NH2 3.12Å; E36-R131 VanDerWaalsContact OE2-NH2 3.09Å; E36-V153 HydrophobicContact CB-CG1 3.87Å; E36-V154 CarbonylContact C-O 3.58Å; E36-V154 VanDerWaalsContact CA-O 3.3Å; E36-V154 WeakPolarHBondContact CA-O 3.36Å |
| 37 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 126.5 | -177.9 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | I39 V75 V78 V82 V85 V153 V154 E156 V159 | V37-I39 HydrophobicContact CG1-CD1 4.48Å; V37-I39 HydrophobicContact CG1-CG1 3.9Å; V37-V75 HydrophobicContact CG1-CB 4.48Å; V37-V75 HydrophobicContact CG1-CG1 3.84Å; V37-V75 HydrophobicContact CG1-CG2 3.96Å; V37-V78 HydrophobicContact CG1-CG1 4.32Å; V37-V78 HydrophobicContact CG2-CG1 4.43Å; V37-V82 HydrophobicContact CG2-CG1 4.1Å; V37-V82 HydrophobicContact CG2-CG2 4.16Å; V37-V85 HydrophobicContact CG1-CG2 4.05Å; V37-V85 HydrophobicContact CG2-CG2 3.74Å; V37-V153 WeakPolarHBondContact O-CA 3.29Å; V37-V154 HydrophobicContact CB-CG2 4.34Å; V37-V154 PolarHBondContact N-O 2.87Å; V37-V154 PolarHBondContact O-N 3.14Å; V37-E156 HydrophobicContact CG2-CB 4.28Å; V37-V159 HydrophobicContact CB-CG2 4.07Å; V37-V159 HydrophobicContact CG1-CG2 4.41Å; V37-V159 HydrophobicContact CG2-CG2 4.07Å |
| 38 | R | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 126.3 | 171 | -171.2 | 163.2 | 64.2 | -176.3 | 3.1 | 109.6 | N3 G6 I8 P32 E76 S77 T152 V153 | N3-R38 PolarHBondContact O-NH2 2.84Å; G6-R38 PolarHBondContact O-NH1 2.85Å; I8-R38 VanDerWaalsContact CD1-CZ 3.42Å; P32-R38 HydrophobicContact CB-CB 4.48Å; P32-R38 HydrophobicContact CG-CB 4.08Å; R38-E76 IonicContact CZ-OE2 3.61Å; R38-E76 IonicContact NE-OE2 3.94Å; R38-E76 PolarHBondContact NE-OE2 3.14Å; R38-E76 IonicContact NH2-OE1 3.26Å; R38-E76 PolarHBondContact NH2-OE1 3.26Å; R38-E76 IonicContact NH2-OE2 2.89Å; R38-E76 PolarHBondContact NH2-OE2 2.97Å; R38-E76 PolarHBondContact O-N 3.17Å; R38-S77 PolarHBondContact N-O 2.92Å; R38-S77 PolarHBondContact NE-OG 2.93Å; R38-S77 PolarHBondContact O-N 3.25Å; R38-T152 CarbonylContact C-O 3.08Å; R38-T152 VanDerWaalsContact CA-O 3.29Å; R38-T152 WeakPolarHBondContact CA-O 3.48Å; R38-V153 HydrophobicContact CB-CG2 4.05Å; R38-V153 HydrophobicContact CG-CG2 3.91Å |
| 39 | I | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 129.9 | -172.2 | -55.9 | 172.2 | 0 | 0 | 0 | 108.4 | V37 I41 V91 P93 Y151 T152 V154 V159 | V37-I39 HydrophobicContact CG1-CD1 4.48Å; V37-I39 HydrophobicContact CG1-CG1 3.9Å; I39-I41 HydrophobicContact CB-CD1 4.48Å; I39-I41 HydrophobicContact CG2-CD1 3.94Å; I39-I41 PolarHBondContact O-N 3.05Å; I39-V91 HydrophobicContact CD1-CG2 3.77Å; I39-V91 HydrophobicContact CG1-CG2 3.97Å; I39-V91 HydrophobicContact CG2-CG2 3.76Å; I39-P93 HydrophobicContact CD1-CB 4.23Å; I39-Y151 VanDerWaalsContact O-CA 3.26Å; I39-Y151 WeakPolarHBondContact O-CA 3.22Å; I39-T152 HydrophobicContact CB-CG2 4.2Å; I39-T152 PolarHBondContact N-O 3.38Å; I39-T152 PolarHBondContact O-N 2.89Å; I39-V154 HydrophobicContact CD1-CG2 3.61Å; I39-V154 HydrophobicContact CG1-CG2 4.43Å; I39-V159 HydrophobicContact CD1-CG2 4.36Å |
| 40 | K | 98.8 | Very high | 97.2 | Very high | 101 Ų | 101 | 39.5 Ų | 39.5 | 44% | 0.439 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 109.2 | 162.7 | -175.2 | 179.3 | 178.2 | 178.8 | 0 | 108.6 | V42 G73 I74 Q150 Y151 | K40-V42 PolarHBondContact O-N 2.83Å; K40-G73 CarbonylContact O-C 3.52Å; K40-G73 WeakPolarHBondContact O-CA 3.41Å; K40-I74 PolarHBondContact N-O 2.93Å; K40-I74 PolarHBondContact O-N 3.06Å; K40-Q150 CarbonylContact C-O 3.37Å; K40-Q150 WeakPolarHBondContact CA-O 3.35Å; K40-Y151 HydrophobicContact CB-CD1 3.92Å; K40-Y151 HydrophobicContact CB-CE1 3.5Å; K40-Y151 VanDerWaalsContact CB-CE1 3.5Å; K40-Y151 HydrophobicContact CD-CE1 4.21Å; K40-Y151 HydrophobicContact CG-CD1 4.36Å; K40-Y151 HydrophobicContact CG-CE1 3.75Å; K40-Y151 HydrophobicContact CG-CE2 4.43Å |
| 41 | I | 98.9 | Very high | 97 | Very high | 18 Ų | 18 | 38.5 Ų | 38.5 | 9% | 0.092 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 126.6 | 178.5 | -59.3 | -63.3 | 0 | 0 | 0 | 108.9 | I39 A43 P93 T147 S149 Q150 T152 | I39-I41 HydrophobicContact CB-CD1 4.48Å; I39-I41 HydrophobicContact CG2-CD1 3.94Å; I39-I41 PolarHBondContact O-N 3.05Å; I41-A43 WeakPolarHBondContact CG2-O 3.3Å; I41-P93 HydrophobicContact CD1-CG 4.44Å; I41-T147 HydrophobicContact CD1-CG2 4.17Å; I41-S149 VanDerWaalsContact CB-O 3.31Å; I41-S149 WeakPolarHBondContact CB-O 3.17Å; I41-S149 WeakPolarHBondContact CG1-O 3.33Å; I41-Q150 PolarHBondContact N-O 3.22Å; I41-T152 HydrophobicContact CD1-CG2 3.82Å; I41-T152 HydrophobicContact CG1-CG2 3.98Å |
| 42 | V | 98.7 | Very high | 96.7 | Very high | 64 Ų | 64 | 38.8 Ų | 38.8 | 39% | 0.388 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -38.5 | 178.7 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | K40 A72 I74 M168 | K40-V42 PolarHBondContact O-N 2.83Å; V42-A72 PolarHBondContact N-O 3.32Å; V42-I74 HydrophobicContact CG2-CD1 4.31Å; V42-I74 HydrophobicContact CG2-CG1 4.25Å; V42-M168 HydrophobicContact CB-CB 4.2Å; V42-M168 HydrophobicContact CB-CG 4.49Å; V42-M168 HydrophobicContact CB-SD 3.45Å; V42-M168 WeakPolarHBondContact CB-SD 3.44Å; V42-M168 HydrophobicContact CG1-CB 4.02Å; V42-M168 HydrophobicContact CG1-SD 3.89Å; V42-M168 HydrophobicContact CG2-SD 3.49Å; V42-M168 WeakPolarHBondContact CG2-SD 3.35Å |
| 43 | A | 98.6 | Very high | 96.5 | Very high | 15 Ų | 15 | 38 Ų | 38 | 12% | 0.124 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 146.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | I41 G71 A72 M168 Q169 C172 | I41-A43 WeakPolarHBondContact CG2-O 3.3Å; A43-G71 CarbonylContact O-C 3.58Å; A43-G71 WeakPolarHBondContact O-CA 3.45Å; A43-A72 PolarHBondContact N-O 3.12Å; A43-A72 VanDerWaalsContact N-O 3.16Å; A43-A72 PolarHBondContact O-N 3.17Å; A43-M168 HydrophobicContact CB-CB 4.46Å; A43-M168 WeakPolarHBondContact CB-O 3.49Å; A43-Q169 HydrophobicContact CB-CB 4.41Å; A43-Q169 HydrophobicContact CB-CG 4.23Å; A43-C172 HydrophobicContact CB-CB 4.46Å |
| 44 | T | 98.7 | Very high | 96.5 | Very high | 43 Ų | 43 | 34.1 Ų | 34.1 | 26% | 0.264 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 138.8 | 170.8 | -173 | 0 | 0 | 0 | 0 | 109.5 | E70 T147 F148 | T44-E70 CarbonylContact C-O 3.55Å; T44-E70 WeakPolarHBondContact CA-O 3.42Å; T44-E70 PolarHBondContact OG1-O 2.85Å; T44-T147 WeakPolarHBondContact OG1-CB 3.33Å; T44-T147 PolarHBondContact OG1-OG1 3.07Å; T44-F148 HydrophobicContact CG2-CD1 3.83Å; T44-F148 HydrophobicContact CG2-CE1 4.21Å |
| 45 | A | 97.7 | Very high | 96.3 | Very high | 19 Ų | 19 | 34.1 Ų | 34.1 | 16% | 0.157 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 165.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | E70 F148 L173 | A45-E70 HydrophobicContact CB-CB 3.85Å; A45-E70 PolarHBondContact N-O 3.27Å; A45-F148 WeakPolarHBondContact O-CE1 3.08Å; A45-L173 HydrophobicContact CB-CD2 3.48Å; A45-L173 VanDerWaalsContact CB-CD2 3.48Å |
| 46 | I | 94.9 | Very high | 96.1 | Very high | 36 Ų | 36 | 32.1 Ų | 32.1 | 19% | 0.185 | 18% | 0.184 | C | C | . | . | trans | -113 | 135 | 175.3 | -53 | 177.3 | 0 | 0 | 0 | 107.3 | L51 F148 I359 A362 I363 M366 | I46-L51 HydrophobicContact CG2-CD2 4.28Å; I46-F148 HydrophobicContact CB-CZ 4.41Å; I46-F148 HydrophobicContact CG1-CE1 4.2Å; I46-F148 HydrophobicContact CG1-CZ 4Å; I46-F148 HydrophobicContact CG2-CZ 4.26Å; I46-I359 HydrophobicContact CD1-CG1 3.93Å; I46-A362 HydrophobicContact CD1-CB 3.47Å; I46-A362 VanDerWaalsContact CD1-CB 3.47Å; I46-I363 HydrophobicContact CD1-CG1 3.98Å; I46-I363 HydrophobicContact CG2-CG1 4.27Å; I46-M366 HydrophobicContact CB-SD 3.69Å; I46-M366 HydrophobicContact CG2-SD 3.45Å; I46-M366 WeakPolarHBondContact CG2-SD 3.5Å; I46-M366 VanDerWaalsContact O-SD 3.39Å | ||
| 47 | C | 93.3 | Very high | 95.7 | Very high | 23 Ų | 23 | 39.4 Ų | 39.4 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | trans | -129.1 | 158.8 | -179.9 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | T49 D50 L51 E70 | C47-T49 PolarHBondContact O-N 2.94Å; C47-T49 VanDerWaalsContact O-N 3.1Å; C47-D50 PolarHBondContact N-OD2 2.91Å; C47-D50 WeakPolarHBondContact O-CB 3.45Å; C47-D50 PolarHBondContact O-N 2.99Å; C47-L51 PolarHBondContact O-N 2.88Å; C47-E70 WeakPolarHBondContact CB-OE1 3.45Å | ||
| 48 | H | 91.1 | Very high | 95.2 | Very high | 132 Ų | 132 | 41 Ų | 41 | 61% | 0.611 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -56 | -27.9 | 176.5 | -78.5 | 82.2 | 0 | 0 | 0 | 112.5 | L51 Y52 | H48-L51 PolarHBondContact O-N 2.66Å; H48-Y52 VanDerWaalsContact O-CB 3.32Å; H48-Y52 WeakPolarHBondContact O-CB 3.33Å; H48-Y52 PolarHBondContact O-N 3.36Å |
| 49 | T | 92.4 | Very high | 94.7 | Very high | 48 Ų | 48 | 45.7 Ų | 45.7 | 29% | 0.294 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 174.6 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | C47 L51 Y52 T53 Y142 M143 | C47-T49 PolarHBondContact O-N 2.94Å; C47-T49 VanDerWaalsContact O-N 3.1Å; T49-L51 VanDerWaalsContact C-N 3.34Å; T49-L51 PolarHBondContact O-N 3.29Å; T49-Y52 PolarHBondContact O-N 2.91Å; T49-T53 PolarHBondContact O-N 2.85Å; T49-T53 PolarHBondContact O-OG1 2.82Å; T49-Y142 WeakPolarHBondContact CG2-OH 3.43Å; T49-Y142 PolarHBondContact O-OH 3.2Å; T49-Y142 VanDerWaalsContact O-OH 3.07Å; T49-M143 HydrophobicContact CG2-CE 4.33Å; T49-M143 HydrophobicContact CG2-SD 3.79Å |
| 50 | D | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 176.1 | -52.9 | -70 | 0 | 0 | 0 | 110.7 | C47 Y52 T53 L54 G68 H69 Y142 F148 | C47-D50 PolarHBondContact N-OD2 2.91Å; C47-D50 WeakPolarHBondContact O-CB 3.45Å; C47-D50 PolarHBondContact O-N 2.99Å; D50-Y52 PolarHBondContact O-N 2.92Å; D50-T53 PolarHBondContact O-N 3.46Å; D50-L54 WeakPolarHBondContact O-CB 3.45Å; D50-L54 PolarHBondContact O-N 2.99Å; D50-G68 WeakPolarHBondContact OD1-CA 3.42Å; D50-G68 PolarHBondContact OD1-N 2.81Å; D50-H69 IonicContact OD1-CE1 3.81Å; D50-H69 IonicContact OD1-ND1 2.89Å; D50-H69 PolarHBondContact OD1-ND1 3.44Å; D50-H69 IonicContact OD2-CE1 3.31Å; D50-H69 PolarHBondContact OD2-CE1 2.83Å; D50-H69 IonicContact OD2-ND1 3.47Å; D50-H69 PolarHBondContact OD2-ND1 2.84Å; D50-Y142 VanDerWaalsContact OD1-CE1 3.22Å; D50-Y142 WeakPolarHBondContact OD1-CE1 3.34Å; D50-F148 HydrophobicContact CB-CE2 4.27Å; D50-F148 HydrophobicContact CB-CZ 4.17Å |
| 51 | L | 94 | Very high | 94.1 | Very high | 17 Ų | 17 | 47.2 Ų | 47.2 | 9% | 0.089 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.7 | -32.9 | 179.8 | -56.3 | -174.7 | 0 | 0 | 0 | 112.7 | I46 C47 H48 T49 L54 S55 I363 M366 | I46-L51 HydrophobicContact CG2-CD2 4.28Å; C47-L51 PolarHBondContact O-N 2.88Å; H48-L51 PolarHBondContact O-N 2.66Å; T49-L51 VanDerWaalsContact C-N 3.34Å; T49-L51 PolarHBondContact O-N 3.29Å; L51-L54 HydrophobicContact CD2-CD2 4.46Å; L51-L54 PolarHBondContact O-N 2.83Å; L51-S55 WeakPolarHBondContact O-CB 3.49Å; L51-S55 PolarHBondContact O-N 2.74Å; L51-S55 PolarHBondContact O-OG 3.1Å; L51-I363 HydrophobicContact CD1-CG2 4.48Å; L51-I363 HydrophobicContact CD2-CB 4.39Å; L51-I363 HydrophobicContact CD2-CD1 4.11Å; L51-I363 HydrophobicContact CD2-CG1 3.94Å; L51-I363 HydrophobicContact CD2-CG2 3.67Å; L51-M366 HydrophobicContact CD1-CB 4.48Å; L51-M366 HydrophobicContact CD1-CE 4.15Å; L51-M366 HydrophobicContact CD1-SD 4.29Å |
| 52 | Y | 91.6 | Very high | 94 | Very high | 43 Ų | 43 | 48.4 Ų | 48.4 | 17% | 0.169 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.1 | -47 | 175.9 | -178.4 | -104.9 | 0 | 0 | 0 | 110.8 | H48 T49 D50 S55 R57 D58 G300 A301 | H48-Y52 VanDerWaalsContact O-CB 3.32Å; H48-Y52 WeakPolarHBondContact O-CB 3.33Å; H48-Y52 PolarHBondContact O-N 3.36Å; T49-Y52 PolarHBondContact O-N 2.91Å; D50-Y52 PolarHBondContact O-N 2.92Å; Y52-S55 PolarHBondContact O-N 3.38Å; Y52-S55 PolarHBondContact O-OG 3.01Å; Y52-R57 HydrophobicContact CD2-CB 3.91Å; Y52-R57 HydrophobicContact CE1-CB 4.41Å; Y52-R57 HydrophobicContact CE2-CB 3.37Å; Y52-R57 HydrophobicContact CE2-CG 4.41Å; Y52-R57 PolarHBondContact OH-O 3.1Å; Y52-D58 HydrophobicContact CD1-CB 3.85Å; Y52-D58 VanDerWaalsContact CE1-CA 3.48Å; Y52-D58 HydrophobicContact CE1-CB 3.81Å; Y52-G300 WeakPolarHBondContact OH-CA 3.21Å; Y52-A301 PolarHBondContact OH-N 2.9Å |
| 53 | T | 95 | Very high | 94 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.3 | -47 | 172.2 | -53.1 | 0 | 0 | 0 | 0 | 111 | T49 D50 S55 G56 D58 F63 L67 Y142 | T49-T53 PolarHBondContact O-N 2.85Å; T49-T53 PolarHBondContact O-OG1 2.82Å; D50-T53 PolarHBondContact O-N 3.46Å; T53-S55 PolarHBondContact O-N 2.82Å; T53-S55 VanDerWaalsContact O-N 3.16Å; T53-G56 PolarHBondContact O-N 3.09Å; T53-D58 HydrophobicContact CG2-CB 4.17Å; T53-D58 PolarHBondContact OG1-OD2 3.08Å; T53-F63 WeakPolarHBondContact O-CZ 3.09Å; T53-L67 HydrophobicContact CG2-CD2 4.04Å; T53-Y142 HydrophobicContact CG2-CD2 4.35Å; T53-Y142 HydrophobicContact CG2-CE2 3.75Å; T53-Y142 VanDerWaalsContact OG1-CE2 3.28Å; T53-Y142 WeakPolarHBondContact OG1-CE2 3.44Å; T53-Y142 PolarHBondContact OG1-OH 3.38Å |
| 54 | L | 96.2 | Very high | 94 | Very high | 20 Ų | 20 | 47.8 Ų | 47.8 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.9 | -37 | 178.4 | -175.5 | 58 | 0 | 0 | 0 | 112.3 | A15 A18 G19 L22 D50 L51 G56 L67 I363 | A15-L54 HydrophobicContact CB-CD1 3.68Å; A18-L54 CarbonylContact C-O 3.46Å; A18-L54 WeakPolarHBondContact CA-O 3.44Å; G19-L54 PolarHBondContact N-O 2.84Å; L22-L54 HydrophobicContact CD2-CD1 3.8Å; L22-L54 HydrophobicContact CD2-CD2 4.18Å; L22-L54 HydrophobicContact CG-CD2 4.24Å; D50-L54 WeakPolarHBondContact O-CB 3.45Å; D50-L54 PolarHBondContact O-N 2.99Å; L51-L54 HydrophobicContact CD2-CD2 4.46Å; L51-L54 PolarHBondContact O-N 2.83Å; L54-G56 PolarHBondContact O-N 2.67Å; L54-L67 HydrophobicContact CB-CD1 3.87Å; L54-L67 HydrophobicContact CD1-CD1 4.2Å; L54-L67 HydrophobicContact CG-CD1 4.47Å; L54-I363 HydrophobicContact CD2-CD1 4.29Å |
| 55 | S | 94.2 | Very high | 94 | Very high | 47 Ų | 47 | 45.9 Ų | 45.9 | 33% | 0.329 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -10.1 | 177.9 | 71.6 | 0 | 0 | 0 | 0 | 115.2 | L51 Y52 T53 R57 | L51-S55 WeakPolarHBondContact O-CB 3.49Å; L51-S55 PolarHBondContact O-N 2.74Å; L51-S55 PolarHBondContact O-OG 3.1Å; Y52-S55 PolarHBondContact O-N 3.38Å; Y52-S55 PolarHBondContact O-OG 3.01Å; T53-S55 PolarHBondContact O-N 2.82Å; T53-S55 VanDerWaalsContact O-N 3.16Å; S55-R57 VanDerWaalsContact C-N 3.31Å; S55-R57 WeakPolarHBondContact OG-CG 3.47Å; S55-R57 PolarHBondContact OG-NE 2.89Å |
| 56 | G | 93.4 | Very high | 94 | Very high | 41 Ų | 41 | 45 Ų | 45 | 42% | 0.423 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 11.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | T53 L54 | T53-G56 PolarHBondContact O-N 3.09Å; L54-G56 PolarHBondContact O-N 2.67Å |
| 57 | R | 89.7 | Confident | 94.2 | Very high | 158 Ų | 158 | 43.3 Ų | 43.3 | 60% | 0.596 | 24% | 0.238 | S | C | * | . | trans | -85.1 | -18.5 | 177.6 | -68.5 | -176.9 | -71 | 174.3 | -1 | 113 | Y52 S55 P59 | Y52-R57 HydrophobicContact CD2-CB 3.91Å; Y52-R57 HydrophobicContact CE1-CB 4.41Å; Y52-R57 HydrophobicContact CE2-CB 3.37Å; Y52-R57 HydrophobicContact CE2-CG 4.41Å; Y52-R57 PolarHBondContact OH-O 3.1Å; S55-R57 VanDerWaalsContact C-N 3.31Å; S55-R57 WeakPolarHBondContact OG-CG 3.47Å; S55-R57 PolarHBondContact OG-NE 2.89Å; R57-P59 WeakPolarHBondContact O-CD 3.18Å | ||
| 58 | D | 90.1 | Very high | 94.4 | Very high | 33 Ų | 33 | 42.2 Ų | 42.2 | 18% | 0.176 | 23% | 0.231 | C | C | . | . | trans | -72.1 | 117.8 | 176 | -176 | 1.7 | 0 | 0 | 0 | 111.2 | Y52 T53 E60 G61 | Y52-D58 HydrophobicContact CD1-CB 3.85Å; Y52-D58 VanDerWaalsContact CE1-CA 3.48Å; Y52-D58 HydrophobicContact CE1-CB 3.81Å; T53-D58 HydrophobicContact CG2-CB 4.17Å; T53-D58 PolarHBondContact OG1-OD2 3.08Å; D58-E60 PolarHBondContact O-N 3.47Å; D58-E60 PolarHBondContact OD1-N 2.7Å; D58-G61 PolarHBondContact O-N 3.02Å | ||
| 59 | P | 87.1 | Confident | 94.8 | Very high | 99 Ų | 99 | 35.9 Ų | 35.9 | 64% | 0.643 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -17.3 | 179 | 29.7 | -34.2 | 0 | 0 | 0 | 112.9 | R57 A301 | R57-P59 WeakPolarHBondContact O-CD 3.18Å; P59-A301 HydrophobicContact CB-CB 4.11Å; P59-A301 HydrophobicContact CG-CB 3.85Å |
| 60 | E | 91 | Very high | 95.1 | Very high | 104 Ų | 104 | 33.9 Ų | 33.9 | 49% | 0.486 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -0.9 | 171.6 | -61.4 | -171.7 | 172.5 | 0 | 0 | 112.6 | D58 V62 R117 | D58-E60 PolarHBondContact O-N 3.47Å; D58-E60 PolarHBondContact OD1-N 2.7Å; E60-V62 PolarHBondContact O-N 3.24Å; E60-R117 IonicContact OE1-NH2 4Å; E60-R117 PolarHBondContact OE1-NH2 3.22Å; E60-R117 IonicContact OE2-CZ 3.47Å; E60-R117 IonicContact OE2-NH2 3.9Å; E60-R117 PolarHBondContact OE2-NH2 2.84Å |
| 61 | G | 93.8 | Very high | 95.3 | Very high | 29 Ų | 29 | 33.9 Ų | 33.9 | 30% | 0.299 | 19% | 0.189 | S | C | . | . | trans | -60.7 | 124.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D58 | D58-G61 PolarHBondContact O-N 3.02Š| ||
| 62 | V | 97.2 | Very high | 95.5 | Very high | 42 Ų | 42 | 33 Ų | 33 | 26% | 0.255 | 18% | 0.184 | S | C | . | . | trans | -126.7 | 140.5 | 176.4 | 64.5 | 0 | 0 | 0 | 0 | 109.5 | E60 V65 F140 | E60-V62 PolarHBondContact O-N 3.24Å; V62-V65 VanDerWaalsContact O-CB 3.25Å; V62-V65 WeakPolarHBondContact O-CB 3.42Å; V62-V65 VanDerWaalsContact O-CG1 3.27Å; V62-V65 WeakPolarHBondContact O-CG1 3.26Å; V62-F140 HydrophobicContact CG1-CB 3.79Å; V62-F140 HydrophobicContact CG1-CD1 4.2Å; V62-F140 HydrophobicContact CG1-CD2 4.27Å; V62-F140 HydrophobicContact CG1-CG 3.83Å; V62-F140 HydrophobicContact CG2-CD1 4.14Å; V62-F140 HydrophobicContact CG2-CD2 3.56Å; V62-F140 HydrophobicContact CG2-CE1 4.15Å; V62-F140 HydrophobicContact CG2-CE2 3.57Å; V62-F140 HydrophobicContact CG2-CG 3.86Å; V62-F140 HydrophobicContact CG2-CZ 3.88Å | ||
| 63 | F | 98.2 | Very high | 95.8 | Very high | 48 Ų | 48 | 31 Ų | 31 | 21% | 0.211 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -133.1 | 151.1 | -177.5 | -62.6 | -93.4 | 0 | 0 | 0 | 110.3 | A15 A18 T53 V65 | A15-F63 HydrophobicContact CB-CD1 3.94Å; A15-F63 HydrophobicContact CB-CE1 3.78Å; A18-F63 HydrophobicContact CB-CD2 4.42Å; A18-F63 HydrophobicContact CB-CE2 3.76Å; A18-F63 HydrophobicContact CB-CZ 3.83Å; T53-F63 WeakPolarHBondContact O-CZ 3.09Å; F63-V65 HydrophobicContact CD1-CG1 3.81Å; F63-V65 HydrophobicContact CE1-CG1 4.02Å; F63-V65 HydrophobicContact CG-CG1 4.46Å |
| 64 | P | 98.6 | Very high | 96 | Very high | 19 Ų | 19 | 33.5 Ų | 33.5 | 12% | 0.123 | 19% | 0.189 | C | C | . | . | S | Bend | cis | -74.5 | 146.1 | -2.3 | 32.1 | -36.7 | 0 | 0 | 0 | 112.3 | I14 A15 W16 I139 F140 | I14-P64 HydrophobicContact CG2-CB 4.18Å; A15-P64 CarbonylContact O-C 3.53Å; A15-P64 VanDerWaalsContact O-CA 3.27Å; A15-P64 WeakPolarHBondContact O-CA 3.46Å; W16-P64 HydrophobicContact CD2-CB 4.41Å; W16-P64 HydrophobicContact CE3-CB 3.72Å; W16-P64 HydrophobicContact CE3-CG 4.25Å; W16-P64 HydrophobicContact CZ3-CB 4.11Å; W16-P64 HydrophobicContact CZ3-CG 4.24Å; P64-I139 HydrophobicContact CB-CD1 3.91Å; P64-I139 HydrophobicContact CG-CD1 3.6Å; P64-F140 WeakPolarHBondContact O-CD2 3.42Å; P64-F140 PolarHBondContact O-N 3.22Å |
| 65 | V | 98.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -142.1 | 148 | -171.7 | 62.1 | 0 | 0 | 0 | 0 | 112.4 | A15 V62 F63 L67 F140 | A15-V65 HydrophobicContact CB-CG1 3.92Å; A15-V65 PolarHBondContact N-O 2.87Å; A15-V65 PolarHBondContact O-N 3.43Å; V62-V65 VanDerWaalsContact O-CB 3.25Å; V62-V65 WeakPolarHBondContact O-CB 3.42Å; V62-V65 VanDerWaalsContact O-CG1 3.27Å; V62-V65 WeakPolarHBondContact O-CG1 3.26Å; F63-V65 HydrophobicContact CD1-CG1 3.81Å; F63-V65 HydrophobicContact CE1-CG1 4.02Å; F63-V65 HydrophobicContact CG-CG1 4.46Å; V65-L67 HydrophobicContact CG1-CD2 3.83Å; V65-L67 HydrophobicContact CG1-CG 4.2Å; V65-L67 HydrophobicContact CG2-CD2 4.31Å; V65-F140 HydrophobicContact CB-CB 4.33Å; V65-F140 HydrophobicContact CG2-CB 4.33Å; V65-F140 WeakPolarHBondContact CG2-O 3.34Å |
| 66 | I | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -96.4 | 109.8 | 163.9 | -65.1 | 168.1 | 0 | 0 | 0 | 107.4 | A12 I14 V27 F132 I139 F140 Y142 S146 F148 | A12-I66 HydrophobicContact CB-CD1 3.79Å; A12-I66 HydrophobicContact CB-CG1 4.26Å; I14-I66 HydrophobicContact CG1-CG1 4.2Å; V27-I66 HydrophobicContact CG1-CD1 4.46Å; I66-F132 HydrophobicContact CD1-CB 4.22Å; I66-F132 HydrophobicContact CD1-CD1 3.74Å; I66-F132 HydrophobicContact CD1-CD2 4Å; I66-F132 HydrophobicContact CD1-CE1 4Å; I66-F132 HydrophobicContact CD1-CE2 4.22Å; I66-F132 HydrophobicContact CD1-CG 3.73Å; I66-F132 HydrophobicContact CD1-CZ 4.22Å; I66-I139 HydrophobicContact CD1-CG2 4.32Å; I66-I139 HydrophobicContact CG1-CG2 3.92Å; I66-F140 PolarHBondContact N-O 2.94Å; I66-Y142 WeakPolarHBondContact O-CB 3.31Å; I66-S146 WeakPolarHBondContact O-CB 3.07Å; I66-S146 PolarHBondContact O-OG 3.48Å; I66-F148 HydrophobicContact CG2-CB 4.16Å | ||
| 67 | L | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | trans | -74.5 | -167.9 | 178.2 | -61.1 | 174.4 | 0 | 0 | 0 | 111.7 | A15 L22 T53 L54 V65 Y142 S146 T147 F148 | A15-L67 HydrophobicContact CB-CD1 4.26Å; A15-L67 HydrophobicContact CB-CG 4.44Å; L22-L67 HydrophobicContact CD2-CD1 4.26Å; T53-L67 HydrophobicContact CG2-CD2 4.04Å; L54-L67 HydrophobicContact CB-CD1 3.87Å; L54-L67 HydrophobicContact CD1-CD1 4.2Å; L54-L67 HydrophobicContact CG-CD1 4.47Å; V65-L67 HydrophobicContact CG1-CD2 3.83Å; V65-L67 HydrophobicContact CG1-CG 4.2Å; V65-L67 HydrophobicContact CG2-CD2 4.31Å; L67-Y142 HydrophobicContact CB-CD1 4.3Å; L67-Y142 HydrophobicContact CD2-CD1 4.1Å; L67-Y142 HydrophobicContact CD2-CD2 3.63Å; L67-Y142 HydrophobicContact CD2-CE1 4.28Å; L67-Y142 HydrophobicContact CD2-CE2 3.86Å; L67-Y142 HydrophobicContact CD2-CG 3.74Å; L67-S146 CarbonylContact O-C 3.57Å; L67-S146 WeakPolarHBondContact O-CA 3.44Å; L67-T147 PolarHBondContact O-N 2.96Å; L67-F148 HydrophobicContact CB-CD2 3.62Å; L67-F148 HydrophobicContact CB-CE2 3.73Å; L67-F148 WeakPolarHBondContact O-CB 3.15Å; L67-F148 WeakPolarHBondContact O-CG 3.49Å; L67-F148 PolarHBondContact O-N 2.9Å | ||
| 68 | G | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | 92.3 | 129.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D50 S146 T147 F148 | D50-G68 WeakPolarHBondContact OD1-CA 3.42Å; D50-G68 PolarHBondContact OD1-N 2.81Å; G68-S146 WeakPolarHBondContact O-CA 3.49Å; G68-S146 PolarHBondContact O-N 3.46Å; G68-T147 VanDerWaalsContact CA-OG1 3.26Å; G68-T147 WeakPolarHBondContact CA-OG1 3.26Å; G68-T147 PolarHBondContact O-N 2.69Å; G68-T147 PolarHBondContact O-OG1 3.16Å; G68-F148 VanDerWaalsContact CA-CD1 3.5Å; G68-F148 VanDerWaalsContact CA-CE1 3.44Å | ||
| 69 | H | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -139.9 | -0.3 | 178.5 | 65.6 | -75.2 | 0 | 0 | 0 | 113.9 | D50 Y142 M143 C145 T147 C176 | D50-H69 IonicContact OD1-CE1 3.81Å; D50-H69 IonicContact OD1-ND1 2.89Å; D50-H69 PolarHBondContact OD1-ND1 3.44Å; D50-H69 IonicContact OD2-CE1 3.31Å; D50-H69 PolarHBondContact OD2-CE1 2.83Å; D50-H69 IonicContact OD2-ND1 3.47Å; D50-H69 PolarHBondContact OD2-ND1 2.84Å; H69-Y142 AromaticContact ND1-CE1 3.99Å; H69-M143 HydrophobicContact CB-CB 4.2Å; H69-M143 HydrophobicContact CB-CE 4.31Å; H69-M143 HydrophobicContact CB-SD 4.04Å; H69-C145 HydrophobicContact CB-CB 4.17Å; H69-T147 PolarHBondContact N-OG1 3.21Å; H69-C176 PolarHBondContact NE2-SG 3.17Å; H69-C176 VanDerWaalsContact NE2-SG 3.42Å | ||
| 70 | E | 98.6 | Very high | 97.8 | Very high | 5 Ų | 5 | 24 Ų | 24 | 2% | 0.023 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 72.6 | 178.3 | -65.1 | -163.5 | -154.5 | 0 | 0 | 110.3 | T44 A45 C47 C172 L173 C176 | T44-E70 CarbonylContact C-O 3.55Å; T44-E70 WeakPolarHBondContact CA-O 3.42Å; T44-E70 PolarHBondContact OG1-O 2.85Å; A45-E70 HydrophobicContact CB-CB 3.85Å; A45-E70 PolarHBondContact N-O 3.27Å; C47-E70 WeakPolarHBondContact CB-OE1 3.45Å; E70-C172 CarbonylContact C-O 3.55Å; E70-L173 WeakPolarHBondContact OE2-CD2 3.29Å; E70-C176 HydrophobicContact CG-CB 3.51Å; E70-C176 WeakPolarHBondContact OE1-CB 3.17Å |
| 71 | G | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 157.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | A43 P93 | A43-G71 CarbonylContact O-C 3.58Å; A43-G71 WeakPolarHBondContact O-CA 3.45Å; G71-P93 WeakPolarHBondContact O-CD 3.41Å |
| 72 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 141.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | V42 A43 V91 I92 M168 I171 C172 | V42-A72 PolarHBondContact N-O 3.32Å; A43-A72 PolarHBondContact N-O 3.12Å; A43-A72 VanDerWaalsContact N-O 3.16Å; A43-A72 PolarHBondContact O-N 3.17Å; A72-V91 WeakPolarHBondContact CA-O 3.48Å; A72-I92 HydrophobicContact CB-CG1 4.27Å; A72-M168 HydrophobicContact CB-CB 3.83Å; A72-M168 HydrophobicContact CB-CG 4.08Å; A72-I171 HydrophobicContact CB-CD1 4.36Å; A72-I171 HydrophobicContact CB-CG1 4.09Å; A72-C172 HydrophobicContact CB-CB 3.91Å |
| 73 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163 | -173 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | K40 H90 V91 M168 | K40-G73 CarbonylContact O-C 3.52Å; K40-G73 WeakPolarHBondContact O-CA 3.41Å; G73-H90 WeakPolarHBondContact O-CA 3.45Å; G73-V91 PolarHBondContact N-O 3.49Å; G73-V91 PolarHBondContact O-N 3.21Å; G73-M168 WeakPolarHBondContact O-CE 3.35Å |
| 74 | I | 98.9 | Very high | 98.4 | Very high | 55 Ų | 55 | 27.4 Ų | 27.4 | 28% | 0.282 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 132.6 | -179.6 | -55.3 | 171.7 | 0 | 0 | 0 | 107.8 | K40 V42 E76 D89 M168 | K40-I74 PolarHBondContact N-O 2.93Å; K40-I74 PolarHBondContact O-N 3.06Å; V42-I74 HydrophobicContact CG2-CD1 4.31Å; V42-I74 HydrophobicContact CG2-CG1 4.25Å; I74-E76 PolarHBondContact O-N 3.14Å; I74-D89 CarbonylContact C-O 3.58Å; I74-D89 WeakPolarHBondContact CA-O 3.4Å; I74-M168 HydrophobicContact CD1-CE 4.29Å; I74-M168 HydrophobicContact CG1-CE 3.51Å; I74-M168 HydrophobicContact CG1-SD 4.29Å |
| 75 | V | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 122.7 | 173.4 | 179.1 | 0 | 0 | 0 | 0 | 109 | V37 V78 V85 T86 P87 G88 D89 V91 | V37-V75 HydrophobicContact CG1-CB 4.48Å; V37-V75 HydrophobicContact CG1-CG1 3.84Å; V37-V75 HydrophobicContact CG1-CG2 3.96Å; V75-V78 HydrophobicContact CG1-CG1 3.65Å; V75-V85 HydrophobicContact CG2-CB 4.22Å; V75-V85 HydrophobicContact CG2-CG2 4.23Å; V75-T86 WeakPolarHBondContact CB-O 3.38Å; V75-P87 WeakPolarHBondContact O-CA 3.32Å; V75-G88 PolarHBondContact O-N 3.46Å; V75-D89 HydrophobicContact CB-CB 4.46Å; V75-D89 HydrophobicContact CG2-CB 4.05Å; V75-D89 PolarHBondContact N-O 2.92Å; V75-V91 HydrophobicContact CG2-CB 4.37Å; V75-V91 HydrophobicContact CG2-CG1 3.53Å; V75-V91 HydrophobicContact CG2-CG2 3.86Å |
| 76 | E | 98.6 | Very high | 98.3 | Very high | 38 Ų | 38 | 30.3 Ų | 30.3 | 18% | 0.178 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -48.2 | 176.1 | -175.5 | -87.5 | 167.9 | 0 | 0 | 111.1 | R38 I74 Y151 | R38-E76 IonicContact CZ-OE2 3.61Å; R38-E76 IonicContact NE-OE2 3.94Å; R38-E76 PolarHBondContact NE-OE2 3.14Å; R38-E76 IonicContact NH2-OE1 3.26Å; R38-E76 PolarHBondContact NH2-OE1 3.26Å; R38-E76 IonicContact NH2-OE2 2.89Å; R38-E76 PolarHBondContact NH2-OE2 2.97Å; R38-E76 PolarHBondContact O-N 3.17Å; I74-E76 PolarHBondContact O-N 3.14Å; E76-Y151 HydrophobicContact CB-CD1 4.43Å; E76-Y151 HydrophobicContact CB-CE1 4.1Å; E76-Y151 HydrophobicContact CG-CE1 3.97Å |
| 77 | S | 98.5 | Very high | 98.3 | Very high | 9 Ų | 9 | 33.4 Ų | 33.4 | 6% | 0.063 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 159.3 | 176.9 | 72 | 0 | 0 | 0 | 0 | 111.1 | P32 R38 | P32-S77 VanDerWaalsContact CD-OG 3.22Å; P32-S77 WeakPolarHBondContact CD-OG 3.34Å; P32-S77 VanDerWaalsContact CG-OG 3.3Å; P32-S77 WeakPolarHBondContact CG-OG 3.48Å; R38-S77 PolarHBondContact N-O 2.92Å; R38-S77 PolarHBondContact NE-OG 2.93Å; R38-S77 PolarHBondContact O-N 3.25Å |
| 78 | V | 98.6 | Very high | 98.3 | Very high | 46 Ų | 46 | 35.6 Ų | 35.6 | 28% | 0.279 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 152.2 | 178.7 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | V37 V75 V82 V85 | V37-V78 HydrophobicContact CG1-CG1 4.32Å; V37-V78 HydrophobicContact CG2-CG1 4.43Å; V75-V78 HydrophobicContact CG1-CG1 3.65Å; V78-V82 HydrophobicContact CB-CB 3.83Å; V78-V82 HydrophobicContact CB-CG1 3.85Å; V78-V82 HydrophobicContact CB-CG2 4.16Å; V78-V82 HydrophobicContact CG1-CB 4.46Å; V78-V82 HydrophobicContact CG1-CG1 3.93Å; V78-V82 HydrophobicContact CG2-CB 4.28Å; V78-V82 HydrophobicContact CG2-CG1 4.43Å; V78-V85 HydrophobicContact CG1-CG2 4.2Å |
| 79 | G | 97.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 7% | 0.072 | 23% | 0.226 | C | C | . | . | trans | -74.5 | 167.7 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | K33 E36 E81 V82 | K33-G79 VanDerWaalsContact O-CA 3.22Å; K33-G79 WeakPolarHBondContact O-CA 3.42Å; E36-G79 PolarHBondContact O-N 3.27Å; G79-E81 VanDerWaalsContact C-N 3.28Å; G79-E81 PolarHBondContact O-N 3.43Å; G79-E81 VanDerWaalsContact O-N 3.14Å; G79-V82 WeakPolarHBondContact O-CB 3.31Å; G79-V82 PolarHBondContact O-N 3.46Å; G79-V82 VanDerWaalsContact O-N 3.12Å | ||
| 80 | S | 96 | Very high | 98.3 | Very high | 95 Ų | 95 | 38.1 Ų | 38.1 | 66% | 0.664 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -33.4 | -171.3 | 64.2 | 0 | 0 | 0 | 0 | 115.6 | ||
| 81 | E | 97 | Very high | 98.4 | Very high | 109 Ų | 109 | 37.9 Ų | 37.9 | 51% | 0.509 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 0.6 | -175.5 | -52.5 | -50.7 | 121.9 | 0 | 0 | 113.7 | A34 N35 G79 | A34-E81 HydrophobicContact CB-CB 4.49Å; A34-E81 HydrophobicContact CB-CG 3.76Å; N35-E81 WeakPolarHBondContact OD1-CB 3.29Å; G79-E81 VanDerWaalsContact C-N 3.28Å; G79-E81 PolarHBondContact O-N 3.43Å; G79-E81 VanDerWaalsContact O-N 3.14Å |
| 82 | V | 98.4 | Very high | 98.4 | Very high | 17 Ų | 17 | 37.9 Ų | 37.9 | 10% | 0.103 | 23% | 0.234 | C | C | . | . | trans | -75.1 | 130.6 | -178.6 | 175.7 | 0 | 0 | 0 | 0 | 110 | E36 V37 V78 G79 V85 E156 | E36-V82 VanDerWaalsContact O-CG2 3.29Å; E36-V82 WeakPolarHBondContact O-CG2 3.41Å; V37-V82 HydrophobicContact CG2-CG1 4.1Å; V37-V82 HydrophobicContact CG2-CG2 4.16Å; V78-V82 HydrophobicContact CB-CB 3.83Å; V78-V82 HydrophobicContact CB-CG1 3.85Å; V78-V82 HydrophobicContact CB-CG2 4.16Å; V78-V82 HydrophobicContact CG1-CB 4.46Å; V78-V82 HydrophobicContact CG1-CG1 3.93Å; V78-V82 HydrophobicContact CG2-CB 4.28Å; V78-V82 HydrophobicContact CG2-CG1 4.43Å; G79-V82 WeakPolarHBondContact O-CB 3.31Å; G79-V82 PolarHBondContact O-N 3.46Å; G79-V82 VanDerWaalsContact O-N 3.12Å; V82-V85 HydrophobicContact CG1-CG2 3.93Å; V82-E156 HydrophobicContact CG1-CG 4.05Å; V82-E156 HydrophobicContact CG2-CB 4.16Å; V82-E156 HydrophobicContact CG2-CG 4.37Å | ||
| 83 | T | 98.1 | Very high | 98.4 | Very high | 130 Ų | 130 | 37.9 Ų | 37.9 | 80% | 0.798 | 23% | 0.234 | S | C | * | . | trans | -128.5 | -14.1 | -179.3 | 55 | 0 | 0 | 0 | 0 | 113.3 | E156 | T83-E156 PolarHBondContact N-OE1 2.57Š| ||
| 84 | S | 98.4 | Very high | 98.4 | Very high | 39 Ų | 39 | 38 Ų | 38 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -94.2 | -12.8 | -170.6 | 60.2 | 0 | 0 | 0 | 0 | 115.7 | E156 R329 | S84-E156 VanDerWaalsContact CB-OE1 3.3Å; S84-E156 WeakPolarHBondContact CB-OE1 3.41Å; S84-E156 PolarHBondContact N-OE1 3.04Å; S84-E156 VanDerWaalsContact OG-CD 3.24Å; S84-E156 WeakPolarHBondContact OG-CG 3.3Å; S84-E156 PolarHBondContact OG-OE1 3Å; S84-R329 PolarHBondContact OG-NH2 2.89Å |
| 85 | V | 98.7 | Very high | 98.3 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.024 | 23% | 0.228 | C | C | . | . | trans | -144.9 | 155.6 | 175.1 | -66.4 | 0 | 0 | 0 | 0 | 110.3 | V37 V75 V78 V82 D89 V91 V159 K161 | V37-V85 HydrophobicContact CG1-CG2 4.05Å; V37-V85 HydrophobicContact CG2-CG2 3.74Å; V75-V85 HydrophobicContact CG2-CB 4.22Å; V75-V85 HydrophobicContact CG2-CG2 4.23Å; V78-V85 HydrophobicContact CG1-CG2 4.2Å; V82-V85 HydrophobicContact CG1-CG2 3.93Å; V85-D89 WeakPolarHBondContact CA-OD2 3.48Å; V85-V91 HydrophobicContact CG1-CG1 4.13Å; V85-V159 HydrophobicContact CG1-CG1 4.01Å; V85-V159 HydrophobicContact CG2-CG1 4.48Å; V85-K161 HydrophobicContact CG1-CB 4.05Å | ||
| 86 | T | 98.4 | Very high | 98.2 | Very high | 79 Ų | 79 | 37.7 Ų | 37.7 | 49% | 0.485 | 23% | 0.231 | S | C | . | . | trans | -129.5 | 160.4 | 176.8 | 55.3 | 0 | 0 | 0 | 0 | 111.2 | V75 G88 D89 | V75-T86 WeakPolarHBondContact CB-O 3.38Å; T86-G88 PolarHBondContact O-N 3.23Å; T86-D89 PolarHBondContact N-OD2 2.89Å; T86-D89 VanDerWaalsContact O-CB 3.3Å; T86-D89 WeakPolarHBondContact O-CB 3.43Å; T86-D89 PolarHBondContact O-N 3.16Å | ||
| 87 | P | 98.3 | Very high | 98.2 | Very high | 65 Ų | 65 | 36 Ų | 36 | 42% | 0.422 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.8 | 135.3 | 171.3 | -29.1 | 36.7 | 0 | 0 | 0 | 112.6 | V75 | V75-P87 WeakPolarHBondContact O-CA 3.32Š|
| 88 | G | 98.3 | Very high | 98.2 | Very high | 46 Ų | 46 | 36 Ų | 36 | 47% | 0.474 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | -14.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V75 T86 | V75-G88 PolarHBondContact O-N 3.46Å; T86-G88 PolarHBondContact O-N 3.23Å |
| 89 | D | 98.8 | Very high | 98.2 | Very high | 16 Ų | 16 | 34.6 Ų | 34.6 | 9% | 0.086 | 22% | 0.215 | C | C | . | . | trans | -64.6 | 138.9 | 175.1 | -78.6 | -22.5 | 0 | 0 | 0 | 111.6 | I74 V75 V85 T86 V91 K161 | I74-D89 CarbonylContact C-O 3.58Å; I74-D89 WeakPolarHBondContact CA-O 3.4Å; V75-D89 HydrophobicContact CB-CB 4.46Å; V75-D89 HydrophobicContact CG2-CB 4.05Å; V75-D89 PolarHBondContact N-O 2.92Å; V85-D89 WeakPolarHBondContact CA-OD2 3.48Å; T86-D89 PolarHBondContact N-OD2 2.89Å; T86-D89 VanDerWaalsContact O-CB 3.3Å; T86-D89 WeakPolarHBondContact O-CB 3.43Å; T86-D89 PolarHBondContact O-N 3.16Å; D89-V91 HydrophobicContact CB-CG1 4.4Å; D89-K161 HydrophobicContact CB-CD 4.47Å; D89-K161 HydrophobicContact CB-CG 4.47Å; D89-K161 WeakPolarHBondContact OD1-CE 3.37Å; D89-K161 IonicContact OD1-NZ 2.67Å; D89-K161 PolarHBondContact OD1-NZ 3.48Å; D89-K161 WeakPolarHBondContact OD2-CD 3.15Å; D89-K161 VanDerWaalsContact OD2-CE 3.31Å; D89-K161 WeakPolarHBondContact OD2-CE 3.21Å; D89-K161 IonicContact OD2-NZ 2.72Å; D89-K161 PolarHBondContact OD2-NZ 3.02Å | ||
| 90 | H | 98.9 | Very high | 98.2 | Very high | 37 Ų | 37 | 40.5 Ų | 40.5 | 17% | 0.171 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 134.1 | 171 | -71.9 | -159 | 0 | 0 | 0 | 109.5 | G73 V162 V164 M168 | G73-H90 WeakPolarHBondContact O-CA 3.45Å; H90-V162 HydrophobicContact CB-CG2 4.02Å; H90-V162 WeakPolarHBondContact O-CG2 3.33Å; H90-V162 PolarHBondContact O-N 3.21Å; H90-V164 HydrophobicContact CB-CG1 4.3Å; H90-V164 PolarHBondContact CE1-O 3.25Å; H90-V164 VanDerWaalsContact ND1-CA 3.33Å; H90-V164 WeakPolarHBondContact ND1-CA 3.31Å; H90-V164 PolarHBondContact ND1-O 3.45Å; H90-M168 HydrophobicContact CB-CE 3.76Å; H90-M168 VanDerWaalsContact CE1-CE 3.42Å; H90-M168 WeakPolarHBondContact CE1-CE 3.36Å; H90-M168 WeakPolarHBondContact ND1-CE 3.13Å |
| 91 | V | 99 | Very high | 98.3 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 154.3 | -170.1 | -66.4 | 0 | 0 | 0 | 0 | 113.6 | I39 A72 G73 V75 V85 D89 V159 A160 | I39-V91 HydrophobicContact CD1-CG2 3.77Å; I39-V91 HydrophobicContact CG1-CG2 3.97Å; I39-V91 HydrophobicContact CG2-CG2 3.76Å; A72-V91 WeakPolarHBondContact CA-O 3.48Å; G73-V91 PolarHBondContact N-O 3.49Å; G73-V91 PolarHBondContact O-N 3.21Å; V75-V91 HydrophobicContact CG2-CB 4.37Å; V75-V91 HydrophobicContact CG2-CG1 3.53Å; V75-V91 HydrophobicContact CG2-CG2 3.86Å; V85-V91 HydrophobicContact CG1-CG1 4.13Å; D89-V91 HydrophobicContact CB-CG1 4.4Å; V91-V159 HydrophobicContact CB-CG1 3.66Å; V91-V159 HydrophobicContact CG1-CG1 3.45Å; V91-V159 VanDerWaalsContact CG1-CG1 3.45Å; V91-V159 HydrophobicContact CG2-CG1 4.3Å; V91-A160 CarbonylContact C-O 3.58Å; V91-A160 WeakPolarHBondContact CA-O 3.47Å; V91-A160 WeakPolarHBondContact CB-O 3.49Å |
| 92 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 119.9 | 165 | -67.1 | 173.8 | 0 | 0 | 0 | 107.6 | A72 L94 A160 V162 I171 L174 V332 V336 | A72-I92 HydrophobicContact CB-CG1 4.27Å; I92-L94 HydrophobicContact CG2-CD2 3.94Å; I92-A160 PolarHBondContact N-O 3.06Å; I92-A160 PolarHBondContact O-N 2.96Å; I92-V162 HydrophobicContact CD1-CG1 4.07Å; I92-V162 HydrophobicContact CG1-CG1 4.19Å; I92-I171 HydrophobicContact CD1-CB 4.24Å; I92-I171 HydrophobicContact CD1-CD1 4.19Å; I92-I171 HydrophobicContact CD1-CG1 4.43Å; I92-I171 WeakPolarHBondContact CD1-O 3.27Å; I92-I171 HydrophobicContact CG1-CD1 4.4Å; I92-L174 HydrophobicContact CD1-CB 4.17Å; I92-V332 HydrophobicContact CB-CG1 4.25Å; I92-V332 HydrophobicContact CD1-CG1 3.7Å; I92-V332 HydrophobicContact CG2-CG1 4.33Å; I92-V336 HydrophobicContact CD1-CG2 4.11Å |
| 93 | P | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 143.7 | 166.9 | 29.5 | -34.4 | 0 | 0 | 0 | 110.9 | I39 I41 G71 C145 T147 V154 S158 | I39-P93 HydrophobicContact CD1-CB 4.23Å; I41-P93 HydrophobicContact CD1-CG 4.44Å; G71-P93 WeakPolarHBondContact O-CD 3.41Å; P93-C145 HydrophobicContact CB-CB 4.45Å; P93-T147 HydrophobicContact CG-CG2 3.76Å; P93-V154 HydrophobicContact CB-CG1 4.15Å; P93-S158 CarbonylContact C-O 3.57Å; P93-S158 WeakPolarHBondContact CA-O 3.49Å |
| 94 | L | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | trans | -126.4 | 121.5 | -168.7 | -59.6 | 168.6 | 0 | 0 | 0 | 111.1 | I92 T96 C145 S158 A160 F323 S328 R329 V332 | I92-L94 HydrophobicContact CG2-CD2 3.94Å; L94-T96 VanDerWaalsContact C-N 3.27Å; L94-T96 PolarHBondContact O-N 3.22Å; L94-C145 VanDerWaalsContact C-SG 3.54Å; L94-S158 WeakPolarHBondContact CB-O 3.23Å; L94-S158 PolarHBondContact N-O 3.35Å; L94-S158 VanDerWaalsContact O-CB 3.24Å; L94-S158 WeakPolarHBondContact O-CB 3.38Å; L94-S158 PolarHBondContact O-OG 2.88Å; L94-A160 HydrophobicContact CD1-CB 3.65Å; L94-A160 HydrophobicContact CD2-CB 4.44Å; L94-A160 HydrophobicContact CG-CB 4.24Å; L94-F323 HydrophobicContact CD2-CZ 4.45Å; L94-S328 VanDerWaalsContact CD1-CB 3.5Å; L94-R329 HydrophobicContact CD1-CG 3.78Å; L94-V332 HydrophobicContact CD2-CB 4.38Å; L94-V332 HydrophobicContact CD2-CG1 4.42Å; L94-V332 HydrophobicContact CD2-CG2 3.78Å | ||
| 95 | Y | 97.6 | Very high | 98.3 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 15% | 0.153 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -70.8 | -24.4 | 175.8 | 71.3 | -90.2 | 0 | 0 | 0 | 113.1 | P97 Q120 M143 C145 G175 C176 F323 | Y95-P97 WeakPolarHBondContact O-CD 3.48Å; Y95-Q120 PolarHBondContact O-NE2 2.98Å; Y95-M143 WeakPolarHBondContact CA-O 3.27Å; Y95-M143 HydrophobicContact CD1-CE 4.12Å; Y95-M143 HydrophobicContact CD2-CE 3.5Å; Y95-M143 HydrophobicContact CE2-CE 4.16Å; Y95-M143 HydrophobicContact CG-CE 3.46Å; Y95-M143 VanDerWaalsContact CG-CE 3.46Å; Y95-C145 PolarHBondContact N-SG 3.27Å; Y95-C145 VanDerWaalsContact N-SG 3.38Å; Y95-G175 WeakPolarHBondContact CD1-O 3.5Å; Y95-G175 WeakPolarHBondContact CE1-O 3.41Å; Y95-C176 HydrophobicContact CE1-CB 3.97Å; Y95-F323 AromaticContact CE1-CD2 3.71Å; Y95-F323 HydrophobicContact CE1-CD2 3.71Å; Y95-F323 HydrophobicContact CE1-CE2 4.1Å; Y95-F323 HydrophobicContact CE1-CG 4.43Å; Y95-F323 AromaticContact CZ-CD2 3.73Å; Y95-F323 WeakPolarHBondContact OH-CB 3.43Å; Y95-F323 VanDerWaalsContact OH-CD2 3.28Å; Y95-F323 WeakPolarHBondContact OH-CD2 3.45Å |
| 96 | T | 97.2 | Very high | 98.3 | Very high | 13 Ų | 13 | 44.3 Ų | 44.3 | 8% | 0.08 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -97.2 | 105.2 | 168.9 | -60.9 | 0 | 0 | 0 | 0 | 108.2 | L94 S328 | L94-T96 VanDerWaalsContact C-N 3.27Å; L94-T96 PolarHBondContact O-N 3.22Å; T96-S328 WeakPolarHBondContact O-CB 3.49Å; T96-S328 PolarHBondContact O-OG 3.34Å |
| 97 | P | 98.2 | Very high | 98.3 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | trans | -70.3 | 166.8 | -179.6 | 25.7 | -30.8 | 0 | 0 | 0 | 111.8 | Y95 C113 I116 I157 | Y95-P97 WeakPolarHBondContact O-CD 3.48Å; P97-C113 HydrophobicContact CB-CB 4.44Å; P97-C113 HydrophobicContact CG-CB 4.05Å; P97-C113 WeakPolarHBondContact O-CB 3.31Å; P97-I116 HydrophobicContact CB-CD1 4.19Å; P97-I116 HydrophobicContact CB-CG1 4.28Å; P97-I116 HydrophobicContact CG-CD1 4.18Å; P97-I116 HydrophobicContact CG-CG1 3.86Å; P97-I157 CarbonylContact C-O 3.56Å; P97-I157 WeakPolarHBondContact CA-O 3.34Å; P97-I157 HydrophobicContact CB-CD1 3.89Å; P97-I157 HydrophobicContact CB-CG1 3.94Å | ||
| 98 | Q | 98.7 | Very high | 98.1 | Very high | 7 Ų | 7 | 44.8 Ų | 44.8 | 3% | 0.033 | 25% | 0.247 | C | C | . | . | trans | -141.5 | 96.2 | 169.8 | -172.3 | -176.5 | -11.3 | 0 | 0 | 110.9 | R100 I157 K327 R329 D330 | Q98-R100 HydrophobicContact CG-CG 4.07Å; Q98-I157 PolarHBondContact N-O 2.82Å; Q98-K327 PolarHBondContact OE1-O 3.02Å; Q98-R329 HydrophobicContact CB-CB 4.11Å; Q98-R329 HydrophobicContact CB-CG 3.98Å; Q98-R329 WeakPolarHBondContact O-CD 3.16Å; Q98-D330 PolarHBondContact NE2-OD1 2.96Å; Q98-D330 PolarHBondContact NE2-OD2 3.21Å; Q98-D330 VanDerWaalsContact OE1-N 3.12Å | ||
| 99 | C | 98.3 | Very high | 97.9 | Very high | 18 Ų | 18 | 51.5 Ų | 51.5 | 12% | 0.122 | 26% | 0.263 | C | S | . | . | trans | -82.7 | -11.7 | -179.2 | 76.5 | 0 | 0 | 0 | 0 | 114.9 | S101 C102 C113 K115 I157 | C99-S101 PolarHBondContact O-N 3.33Å; C99-S101 PolarHBondContact O-OG 3.29Å; C99-S101 PolarHBondContact SG-N 2.93Å; C99-S101 PolarHBondContact SG-OG 3.34Å; C99-C102 PolarHBondContact SG-N 2.89Å; C99-C102 VanDerWaalsContact SG-SG 3.65Å; C99-C113 PolarHBondContact N-SG 2.94Å; C99-C113 PolarHBondContact SG-SG 2.95Å; C99-K115 HydrophobicContact CB-CB 3.9Å; C99-K115 HydrophobicContact CB-CG 3.97Å; C99-I157 HydrophobicContact CB-CB 4.39Å; C99-I157 HydrophobicContact CB-CD1 4Å; C99-I157 HydrophobicContact CB-CG2 4.03Å | ||
| 100 | R | 98 | Very high | 97.9 | Very high | 131 Ų | 131 | 52.4 Ų | 52.4 | 49% | 0.494 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 58 | 7.2 | -178.6 | -58.4 | -178.2 | 179 | 150.9 | -1.2 | 116.2 | Q98 L106 D330 | Q98-R100 HydrophobicContact CG-CG 4.07Å; R100-L106 WeakPolarHBondContact O-CD2 3.43Å; R100-D330 IonicContact CZ-OD1 3.74Å; R100-D330 VanDerWaalsContact CZ-OD1 3.27Å; R100-D330 IonicContact NE-OD1 3.38Å; R100-D330 PolarHBondContact NE-OD1 3.38Å; R100-D330 VanDerWaalsContact NE-OD1 3.1Å; R100-D330 IonicContact NH2-OD1 3.26Å; R100-D330 PolarHBondContact NH2-OD1 3.2Å |
| 101 | S | 97.4 | Very high | 97.8 | Very high | 77 Ų | 77 | 51.3 Ų | 51.3 | 54% | 0.538 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -128 | -20.9 | -174.2 | 53.7 | 0 | 0 | 0 | 0 | 115 | C99 | C99-S101 PolarHBondContact O-N 3.33Å; C99-S101 PolarHBondContact O-OG 3.29Å; C99-S101 PolarHBondContact SG-N 2.93Å; C99-S101 PolarHBondContact SG-OG 3.34Å |
| 102 | C | 98.2 | Very high | 97.8 | Very high | 22 Ų | 22 | 55.5 Ų | 55.5 | 15% | 0.149 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -79 | 158.8 | 177 | 77.8 | 0 | 0 | 0 | 0 | 111.6 | C99 F104 C105 L106 | C99-C102 PolarHBondContact SG-N 2.89Å; C99-C102 VanDerWaalsContact SG-SG 3.65Å; C102-F104 PolarHBondContact O-N 2.66Å; C102-C105 PolarHBondContact O-N 3Å; C102-C105 PolarHBondContact SG-N 2.85Å; C102-L106 WeakPolarHBondContact O-CG 3.38Å; C102-L106 PolarHBondContact O-N 2.94Å |
| 103 | K | 98 | Very high | 97.7 | Very high | 161 Ų | 161 | 56 Ų | 56 | 70% | 0.7 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -51.6 | -33.7 | -179.9 | 70.6 | 177.5 | -175.4 | 177.3 | 0 | 114.1 | S107 | K103-S107 WeakPolarHBondContact O-CB 3.19Å; K103-S107 PolarHBondContact O-N 3.29Å |
| 104 | F | 98.3 | Very high | 97.6 | Very high | 72 Ų | 72 | 58.8 Ų | 58.8 | 32% | 0.316 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -72.1 | -46.6 | 178.1 | -60 | -83.1 | 0 | 0 | 0 | 111.4 | C102 L106 S107 T110 L112 S114 | C102-F104 PolarHBondContact O-N 2.66Å; F104-L106 VanDerWaalsContact C-N 3.31Å; F104-L106 PolarHBondContact O-N 2.86Å; F104-S107 PolarHBondContact O-N 3.3Å; F104-T110 HydrophobicContact CB-CG2 3.97Å; F104-T110 HydrophobicContact CD1-CG2 4.1Å; F104-T110 WeakPolarHBondContact O-CG2 3.49Å; F104-L112 WeakPolarHBondContact CB-O 3.44Å; F104-L112 WeakPolarHBondContact CG-O 3.46Å; F104-S114 WeakPolarHBondContact CD2-OG 3.47Å; F104-S114 WeakPolarHBondContact CE2-OG 3.29Å |
| 105 | C | 98.4 | Very high | 97.5 | Very high | 14 Ų | 14 | 65.1 Ų | 65.1 | 10% | 0.095 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 176.5 | -81.4 | 0 | 0 | 0 | 0 | 112.5 | C102 S107 C113 K327 | C102-C105 PolarHBondContact O-N 3Å; C102-C105 PolarHBondContact SG-N 2.85Å; C105-S107 VanDerWaalsContact C-N 3.26Å; C105-S107 PolarHBondContact O-N 3.03Å; C105-C113 VanDerWaalsContact SG-CB 3.57Å; C105-K327 PolarHBondContact O-NZ 2.77Å |
| 106 | L | 98.1 | Very high | 97.5 | Very high | 127 Ų | 127 | 64.1 Ų | 64.1 | 67% | 0.665 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -73.1 | -17.9 | 177.8 | -64 | 177 | 0 | 0 | 0 | 113.1 | R100 C102 F104 | R100-L106 WeakPolarHBondContact O-CD2 3.43Å; C102-L106 WeakPolarHBondContact O-CG 3.38Å; C102-L106 PolarHBondContact O-N 2.94Å; F104-L106 VanDerWaalsContact C-N 3.31Å; F104-L106 PolarHBondContact O-N 2.86Å |
| 107 | S | 97.7 | Very high | 97.5 | Very high | 38 Ų | 38 | 68.3 Ų | 68.3 | 27% | 0.266 | 35% | 0.349 | S | S | . | . | trans | -81.4 | 139.2 | 174.8 | -169.4 | 0 | 0 | 0 | 0 | 111.2 | K103 F104 C105 K109 K327 | K103-S107 WeakPolarHBondContact O-CB 3.19Å; K103-S107 PolarHBondContact O-N 3.29Å; F104-S107 PolarHBondContact O-N 3.3Å; C105-S107 VanDerWaalsContact C-N 3.26Å; C105-S107 PolarHBondContact O-N 3.03Å; S107-K109 PolarHBondContact O-N 3.01Å; S107-K109 WeakPolarHBondContact OG-CB 3.45Å; S107-K109 PolarHBondContact OG-N 2.69Å; S107-K327 PolarHBondContact O-NZ 3.38Å | ||
| 108 | S | 95 | Very high | 97.3 | Very high | 116 Ų | 116 | 75.1 Ų | 75.1 | 81% | 0.811 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -8.8 | 168 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 109 | K | 94.8 | Very high | 97.3 | Very high | 187 Ų | 187 | 76.1 Ų | 76.1 | 81% | 0.813 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -3.5 | -172.3 | -58.3 | 178 | -178.7 | 179.7 | 0 | 114 | S107 | S107-K109 PolarHBondContact O-N 3.01Å; S107-K109 WeakPolarHBondContact OG-CB 3.45Å; S107-K109 PolarHBondContact OG-N 2.69Å |
| 110 | T | 97 | Very high | 97.2 | Very high | 36 Ų | 36 | 75.9 Ų | 75.9 | 22% | 0.221 | 38% | 0.384 | C | S | . | . | trans | -162.4 | 157 | -173.1 | -172.3 | 0 | 0 | 0 | 0 | 113.2 | F104 L112 K327 | F104-T110 HydrophobicContact CB-CG2 3.97Å; F104-T110 HydrophobicContact CD1-CG2 4.1Å; F104-T110 WeakPolarHBondContact O-CG2 3.49Å; T110-L112 WeakPolarHBondContact OG1-CB 3.41Å; T110-L112 PolarHBondContact OG1-N 2.86Å; T110-L112 VanDerWaalsContact OG1-N 3.08Å; T110-K327 PolarHBondContact O-NZ 2.75Å | ||
| 111 | N | 97.8 | Very high | 97 | Very high | 14 Ų | 14 | 70.5 Ų | 70.5 | 8% | 0.075 | 37% | 0.369 | C | S | . | . | trans | -105.6 | 0 | 168 | 67 | -28.4 | 0 | 0 | 0 | 113.9 | C113 A322 W326 K327 | N111-C113 PolarHBondContact O-N 3Å; N111-A322 PolarHBondContact ND2-O 3.47Å; N111-W326 WeakPolarHBondContact CB-O 3.39Å; N111-W326 PolarHBondContact ND2-O 3.43Å; N111-K327 HydrophobicContact CB-CG 4.32Å | ||
| 112 | L | 97.9 | Very high | 96.9 | Very high | 89 Ų | 89 | 72.1 Ų | 72.1 | 47% | 0.466 | 37% | 0.367 | S | S | . | . | trans | -77.7 | 76.9 | -171 | -65.5 | 175.2 | 0 | 0 | 0 | 112.9 | F104 T110 S114 A322 | F104-L112 WeakPolarHBondContact CB-O 3.44Å; F104-L112 WeakPolarHBondContact CG-O 3.46Å; T110-L112 WeakPolarHBondContact OG1-CB 3.41Å; T110-L112 PolarHBondContact OG1-N 2.86Å; T110-L112 VanDerWaalsContact OG1-N 3.08Å; L112-S114 PolarHBondContact O-N 2.7Å; L112-A322 HydrophobicContact CD2-CB 3.61Å | ||
| 113 | C | 98.5 | Very high | 96.9 | Very high | 9 Ų | 9 | 71.3 Ų | 71.3 | 6% | 0.061 | 36% | 0.362 | C | S | . | . | trans | -62.6 | 121.8 | 173.2 | -174.9 | 0 | 0 | 0 | 0 | 111.3 | P97 C99 C105 N111 | P97-C113 HydrophobicContact CB-CB 4.44Å; P97-C113 HydrophobicContact CG-CB 4.05Å; P97-C113 WeakPolarHBondContact O-CB 3.31Å; C99-C113 PolarHBondContact N-SG 2.94Å; C99-C113 PolarHBondContact SG-SG 2.95Å; C105-C113 VanDerWaalsContact SG-CB 3.57Å; N111-C113 PolarHBondContact O-N 3Å | ||
| 114 | S | 95.9 | Very high | 97 | Very high | 59 Ų | 59 | 65.5 Ų | 65.5 | 41% | 0.413 | 34% | 0.338 | S | S | . | . | trans | -94.2 | 4.9 | -179.4 | 70.5 | 0 | 0 | 0 | 0 | 114.5 | F104 L112 I116 | F104-S114 WeakPolarHBondContact CD2-OG 3.47Å; F104-S114 WeakPolarHBondContact CE2-OG 3.29Å; L112-S114 PolarHBondContact O-N 2.7Å; S114-I116 VanDerWaalsContact C-N 3.32Å; S114-I116 PolarHBondContact O-N 3.25Å | ||
| 115 | K | 97.5 | Very high | 97 | Very high | 134 Ų | 134 | 62.3 Ų | 62.3 | 58% | 0.583 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -35.7 | -163.6 | -175.6 | 64.2 | 176.1 | -178.2 | 0 | 113.8 | C99 I157 | C99-K115 HydrophobicContact CB-CB 3.9Å; C99-K115 HydrophobicContact CB-CG 3.97Å; K115-I157 HydrophobicContact CB-CD1 3.9Å; K115-I157 HydrophobicContact CG-CD1 3.92Å |
| 116 | I | 97.4 | Very high | 96.9 | Very high | 19 Ų | 19 | 64.5 Ų | 64.5 | 10% | 0.097 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | 10.1 | -177.1 | 62 | 169.4 | 0 | 0 | 0 | 112.6 | P97 S114 E118 T119 Q120 P126 A155 I157 | P97-I116 HydrophobicContact CB-CD1 4.19Å; P97-I116 HydrophobicContact CB-CG1 4.28Å; P97-I116 HydrophobicContact CG-CD1 4.18Å; P97-I116 HydrophobicContact CG-CG1 3.86Å; S114-I116 VanDerWaalsContact C-N 3.32Å; S114-I116 PolarHBondContact O-N 3.25Å; I116-E118 VanDerWaalsContact C-N 3.25Å; I116-E118 PolarHBondContact O-N 3.35Å; I116-T119 PolarHBondContact O-N 2.72Å; I116-T119 PolarHBondContact O-OG1 3.47Å; I116-Q120 WeakPolarHBondContact O-CB 3.49Å; I116-Q120 PolarHBondContact O-N 2.8Å; I116-P126 HydrophobicContact CG2-CB 4.11Å; I116-P126 HydrophobicContact CG2-CG 3.81Å; I116-A155 HydrophobicContact CD1-CB 3.92Å; I116-I157 HydrophobicContact CD1-CD1 4.22Å; I116-I157 HydrophobicContact CD1-CG1 4.35Å; I116-I157 HydrophobicContact CG1-CD1 4.16Å; I116-I157 HydrophobicContact CG2-CD1 3.79Å |
| 117 | R | 95.6 | Very high | 96.9 | Very high | 101 Ų | 101 | 61.8 Ų | 61.8 | 38% | 0.381 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.8 | -36.4 | -170 | 179 | 62.4 | -154 | 150.6 | 2.7 | 112.4 | E60 G121 | E60-R117 IonicContact OE1-NH2 4Å; E60-R117 PolarHBondContact OE1-NH2 3.22Å; E60-R117 IonicContact OE2-CZ 3.47Å; E60-R117 IonicContact OE2-NH2 3.9Å; E60-R117 PolarHBondContact OE2-NH2 2.84Å; R117-G121 PolarHBondContact O-N 3.14Å |
| 118 | E | 95.3 | Very high | 96.9 | Very high | 146 Ų | 146 | 61.7 Ų | 61.7 | 68% | 0.682 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.4 | -41.2 | -177.5 | -170 | -175 | 166.9 | 0 | 0 | 113.3 | I116 K122 | I116-E118 VanDerWaalsContact C-N 3.25Å; I116-E118 PolarHBondContact O-N 3.35Å; E118-K122 WeakPolarHBondContact O-CD 3.41Å; E118-K122 WeakPolarHBondContact O-CG 3.35Å; E118-K122 IonicContact OE1-NZ 2.7Å; E118-K122 PolarHBondContact OE1-NZ 3.14Å |
| 119 | T | 97.6 | Very high | 97 | Very high | 29 Ų | 29 | 58.8 Ų | 58.8 | 18% | 0.178 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -82.2 | -37.8 | 177 | 55.7 | 0 | 0 | 0 | 0 | 111.2 | I116 G121 K122 G123 L124 M125 | I116-T119 PolarHBondContact O-N 2.72Å; I116-T119 PolarHBondContact O-OG1 3.47Å; T119-G121 PolarHBondContact O-N 3.2Å; T119-K122 CarbonylContact O-C 3.59Å; T119-K122 WeakPolarHBondContact O-CA 3.46Å; T119-K122 PolarHBondContact O-N 3.22Å; T119-G123 PolarHBondContact O-N 3.47Å; T119-L124 CarbonylContact C-O 3.57Å; T119-L124 PolarHBondContact O-N 2.91Å; T119-M125 VanDerWaalsContact CB-O 3.31Å; T119-M125 WeakPolarHBondContact CB-O 3.32Å; T119-M125 PolarHBondContact OG1-O 3.04Å |
| 120 | Q | 96.5 | Very high | 97.2 | Very high | 13 Ų | 13 | 50.4 Ų | 50.4 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.8 | -45.2 | 178.6 | -173.8 | -168.6 | 40.2 | 0 | 0 | 112.1 | Y95 I116 K122 G123 M143 | Y95-Q120 PolarHBondContact O-NE2 2.98Å; I116-Q120 WeakPolarHBondContact O-CB 3.49Å; I116-Q120 PolarHBondContact O-N 2.8Å; Q120-K122 PolarHBondContact O-N 3.5Å; Q120-G123 PolarHBondContact O-N 3.38Å; Q120-G123 VanDerWaalsContact O-N 3.1Å; Q120-M143 PolarHBondContact NE2-O 2.92Å |
| 121 | G | 93.4 | Very high | 97.3 | Very high | 18 Ų | 18 | 48.8 Ų | 48.8 | 19% | 0.186 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -10.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R117 T119 | R117-G121 PolarHBondContact O-N 3.14Å; T119-G121 PolarHBondContact O-N 3.2Å |
| 122 | K | 97 | Very high | 97.3 | Very high | 111 Ų | 111 | 48.1 Ų | 48.1 | 48% | 0.483 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 6.7 | 174 | -62.8 | 172.3 | -173.7 | 168.3 | 0 | 112.2 | E118 T119 Q120 L124 | E118-K122 WeakPolarHBondContact O-CD 3.41Å; E118-K122 WeakPolarHBondContact O-CG 3.35Å; E118-K122 IonicContact OE1-NZ 2.7Å; E118-K122 PolarHBondContact OE1-NZ 3.14Å; T119-K122 CarbonylContact O-C 3.59Å; T119-K122 WeakPolarHBondContact O-CA 3.46Å; T119-K122 PolarHBondContact O-N 3.22Å; Q120-K122 PolarHBondContact O-N 3.5Å; K122-L124 HydrophobicContact CB-CD1 4.14Å; K122-L124 HydrophobicContact CB-CG 4.43Å |
| 123 | G | 98 | Very high | 97.4 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 30.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T119 Q120 H141 | T119-G123 PolarHBondContact O-N 3.47Å; Q120-G123 PolarHBondContact O-N 3.38Å; Q120-G123 VanDerWaalsContact O-N 3.1Å; G123-H141 WeakPolarHBondContact CA-O 3.3Å; G123-H141 WeakPolarHBondContact O-CB 3.33Å; G123-H141 PolarHBondContact O-N 2.94Å |
| 124 | L | 98.5 | Very high | 97.4 | Very high | 39 Ų | 39 | 44.7 Ų | 44.7 | 20% | 0.204 | 24% | 0.241 | C | C | . | . | trans | -124.7 | 152.7 | -174.5 | -62.2 | 169.3 | 0 | 0 | 0 | 112.3 | T119 K122 F140 | T119-L124 CarbonylContact C-O 3.57Å; T119-L124 PolarHBondContact O-N 2.91Å; K122-L124 HydrophobicContact CB-CD1 4.14Å; K122-L124 HydrophobicContact CB-CG 4.43Å; L124-F140 HydrophobicContact CD2-CD1 4.09Å; L124-F140 HydrophobicContact CD2-CE1 4.05Å | ||
| 125 | M | 98.5 | Very high | 97.3 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.025 | 25% | 0.25 | C | C | . | . | trans | -66.3 | 167 | 169 | -67.5 | -50.6 | -67.5 | 0 | 0 | 111.2 | E36 T119 D127 G128 T129 R131 V153 | E36-M125 HydrophobicContact CB-CE 4.5Å; E36-M125 HydrophobicContact CG-CE 3.8Å; T119-M125 VanDerWaalsContact CB-O 3.31Å; T119-M125 WeakPolarHBondContact CB-O 3.32Å; T119-M125 PolarHBondContact OG1-O 3.04Å; M125-D127 PolarHBondContact O-N 2.78Å; M125-G128 PolarHBondContact O-N 2.61Å; M125-T129 WeakPolarHBondContact CB-O 3.35Å; M125-T129 PolarHBondContact N-O 3.43Å; M125-R131 HydrophobicContact CG-CG 3.88Å; M125-V153 HydrophobicContact CE-CG1 4.23Å | ||
| 126 | P | 97.3 | Very high | 97.1 | Very high | 60 Ų | 60 | 49.4 Ų | 49.4 | 39% | 0.39 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -24.1 | -178.3 | -28.2 | 37.4 | 0 | 0 | 0 | 115.1 | I116 G128 A155 | I116-P126 HydrophobicContact CG2-CB 4.11Å; I116-P126 HydrophobicContact CG2-CG 3.81Å; P126-G128 VanDerWaalsContact C-N 3.3Å; P126-A155 HydrophobicContact CG-CB 3.94Å |
| 127 | D | 97.4 | Very high | 97.1 | Very high | 70 Ų | 70 | 53.4 Ų | 53.4 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 5.5 | 176.7 | 72.9 | -7.9 | 0 | 0 | 0 | 114.2 | K33 M125 T129 R131 | K33-D127 WeakPolarHBondContact CD-OD2 3.31Å; K33-D127 WeakPolarHBondContact CE-OD2 3.38Å; K33-D127 IonicContact NZ-OD2 2.89Å; K33-D127 PolarHBondContact NZ-OD2 2.82Å; M125-D127 PolarHBondContact O-N 2.78Å; D127-T129 VanDerWaalsContact C-N 3.33Å; D127-T129 WeakPolarHBondContact OD1-CB 3.23Å; D127-T129 PolarHBondContact OD1-N 2.95Å; D127-T129 PolarHBondContact OD1-OG1 3.47Å; D127-T129 PolarHBondContact OD2-OG1 2.97Å; D127-R131 IonicContact OD1-NH1 2.66Å; D127-R131 IonicContact OD1-NH2 2.82Å; D127-R131 PolarHBondContact OD1-NH2 3.31Å; D127-R131 IonicContact OD2-CZ 2.75Å; D127-R131 IonicContact OD2-NH1 3.89Å; D127-R131 IonicContact OD2-NH2 3.2Å; D127-R131 PolarHBondContact OD2-NH2 3.49Å |
| 128 | G | 97.9 | Very high | 97.2 | Very high | 37 Ų | 37 | 54.5 Ų | 54.5 | 38% | 0.381 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 76.9 | 15.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | M125 P126 | M125-G128 PolarHBondContact O-N 2.61Å; P126-G128 VanDerWaalsContact C-N 3.3Å |
| 129 | T | 98.2 | Very high | 97.4 | Very high | 55 Ų | 55 | 47.6 Ų | 47.6 | 34% | 0.337 | 26% | 0.26 | S | S | . | . | trans | -119.2 | 173.3 | 178.1 | 70.2 | 0 | 0 | 0 | 0 | 112 | M125 D127 R131 | M125-T129 WeakPolarHBondContact CB-O 3.35Å; M125-T129 PolarHBondContact N-O 3.43Å; D127-T129 VanDerWaalsContact C-N 3.33Å; D127-T129 WeakPolarHBondContact OD1-CB 3.23Å; D127-T129 PolarHBondContact OD1-N 2.95Å; D127-T129 PolarHBondContact OD1-OG1 3.47Å; D127-T129 PolarHBondContact OD2-OG1 2.97Å; T129-R131 PolarHBondContact OG1-NH1 3.04Å | ||
| 130 | T | 98.5 | Very high | 97.5 | Very high | 11 Ų | 11 | 49 Ų | 49 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | trans | -106.6 | 164 | 169.5 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | F132 K138 I139 H141 | T130-F132 WeakPolarHBondContact CG2-O 3.42Å; T130-F132 PolarHBondContact OG1-N 3.49Å; T130-F132 VanDerWaalsContact OG1-N 3.14Å; T130-K138 HydrophobicContact CG2-CB 3.74Å; T130-K138 HydrophobicContact CG2-CD 3.68Å; T130-K138 HydrophobicContact CG2-CG 4.07Å; T130-I139 VanDerWaalsContact CB-O 3.31Å; T130-I139 WeakPolarHBondContact CB-O 3.24Å; T130-I139 WeakPolarHBondContact CG2-O 3.34Å; T130-I139 PolarHBondContact OG1-O 3.21Å; T130-H141 PolarHBondContact OG1-CD2 3.33Å; T130-H141 PolarHBondContact OG1-NE2 3.24Å | ||
| 131 | R | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -108.7 | -1 | 174.5 | -61.6 | -75.3 | 170.9 | -79.8 | -6.7 | 112.1 | V29 D30 K33 E36 M125 D127 T129 H141 V153 | V29-R131 CarbonylContact C-O 3.55Å; V29-R131 WeakPolarHBondContact CA-O 3.22Å; D30-R131 HydrophobicContact CB-CB 4.2Å; D30-R131 PolarHBondContact N-O 2.76Å; K33-R131 VanDerWaalsContact CD-NH2 3.27Å; E36-R131 VanDerWaalsContact CD-NH2 3.28Å; E36-R131 IonicContact OE1-CZ 2.58Å; E36-R131 IonicContact OE1-NE 2.77Å; E36-R131 IonicContact OE1-NH2 2.79Å; E36-R131 PolarHBondContact OE1-NH2 2.9Å; E36-R131 IonicContact OE2-CZ 3.36Å; E36-R131 VanDerWaalsContact OE2-CZ 3.32Å; E36-R131 IonicContact OE2-NE 3.39Å; E36-R131 PolarHBondContact OE2-NE 3Å; E36-R131 IonicContact OE2-NH2 3.88Å; E36-R131 PolarHBondContact OE2-NH2 3.12Å; E36-R131 VanDerWaalsContact OE2-NH2 3.09Å; M125-R131 HydrophobicContact CG-CG 3.88Å; D127-R131 IonicContact OD1-NH1 2.66Å; D127-R131 IonicContact OD1-NH2 2.82Å; D127-R131 PolarHBondContact OD1-NH2 3.31Å; D127-R131 IonicContact OD2-CZ 2.75Å; D127-R131 IonicContact OD2-NH1 3.89Å; D127-R131 IonicContact OD2-NH2 3.2Å; D127-R131 PolarHBondContact OD2-NH2 3.49Å; T129-R131 PolarHBondContact OG1-NH1 3.04Å; R131-H141 PolarHBondContact N-NE2 2.69Å; R131-V153 HydrophobicContact CB-CB 3.94Å; R131-V153 HydrophobicContact CB-CG2 3.96Å; R131-V153 HydrophobicContact CG-CB 3.77Å; R131-V153 HydrophobicContact CG-CG1 3.86Å; R131-V153 HydrophobicContact CG-CG2 4.1Å |
| 132 | F | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 138.1 | -178.6 | -60.6 | -63.6 | 0 | 0 | 0 | 111.4 | L28 V29 I66 T130 I139 H141 Y151 | L28-F132 WeakPolarHBondContact O-CA 3.4Å; V29-F132 HydrophobicContact CB-CD1 4.46Å; V29-F132 HydrophobicContact CB-CE1 4.4Å; V29-F132 HydrophobicContact CG1-CD1 4.27Å; V29-F132 HydrophobicContact CG1-CE1 3.91Å; V29-F132 HydrophobicContact CG2-CD1 3.9Å; V29-F132 HydrophobicContact CG2-CE1 3.79Å; I66-F132 HydrophobicContact CD1-CB 4.22Å; I66-F132 HydrophobicContact CD1-CD1 3.74Å; I66-F132 HydrophobicContact CD1-CD2 4Å; I66-F132 HydrophobicContact CD1-CE1 4Å; I66-F132 HydrophobicContact CD1-CE2 4.22Å; I66-F132 HydrophobicContact CD1-CG 3.73Å; I66-F132 HydrophobicContact CD1-CZ 4.22Å; T130-F132 WeakPolarHBondContact CG2-O 3.42Å; T130-F132 PolarHBondContact OG1-N 3.49Å; T130-F132 VanDerWaalsContact OG1-N 3.14Å; F132-I139 HydrophobicContact CB-CB 3.81Å; F132-I139 PolarHBondContact O-N 2.92Å; F132-H141 AromaticContact CD2-CD2 3.87Å; F132-H141 AromaticContact CD2-CE1 3.67Å; F132-H141 AromaticContact CD2-ND1 3.98Å; F132-H141 AromaticContact CD2-NE2 3.6Å; F132-H141 AromaticContact CE2-CE1 3.23Å; F132-H141 WeakPolarHBondContact CE2-CE1 3.49Å; F132-H141 AromaticContact CE2-CG 3.91Å; F132-H141 AromaticContact CE2-ND1 3.39Å; F132-H141 WeakPolarHBondContact CE2-ND1 3.39Å; F132-H141 AromaticContact CE2-NE2 3.67Å; F132-Y151 WeakPolarHBondContact CE1-O 3.39Å |
| 133 | S | 98.6 | Very high | 97.8 | Very high | 19 Ų | 19 | 45 Ų | 45 | 13% | 0.133 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 148.2 | 165.3 | 58.9 | 0 | 0 | 0 | 0 | 111.9 | V27 L28 Q137 | V27-S133 WeakPolarHBondContact CA-O 3.4Å; L28-S133 WeakPolarHBondContact CB-OG 3.24Å; L28-S133 PolarHBondContact N-O 3.14Å; L28-S133 PolarHBondContact O-N 2.85Å; S133-Q137 CarbonylContact C-O 3.55Å; S133-Q137 WeakPolarHBondContact CA-O 3.45Å; S133-Q137 VanDerWaalsContact CB-O 3.3Å; S133-Q137 WeakPolarHBondContact CB-O 3.45Å |
| 134 | C | 98.5 | Very high | 97.8 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 135.1 | 176.8 | -170.8 | 0 | 0 | 0 | 0 | 108.2 | I14 W16 T26 V27 S136 Q137 I139 | I14-C134 HydrophobicContact CD1-CB 3.76Å; W16-C134 HydrophobicContact CH2-CB 4.25Å; W16-C134 HydrophobicContact CZ2-CB 4.5Å; T26-C134 PolarHBondContact O-SG 3.12Å; V27-C134 HydrophobicContact CG1-CB 4.02Å; C134-S136 PolarHBondContact O-N 3.36Å; C134-Q137 PolarHBondContact N-O 3.05Å; C134-Q137 WeakPolarHBondContact O-CB 3.49Å; C134-Q137 PolarHBondContact O-N 3.21Å; C134-I139 HydrophobicContact CB-CD1 4Å; C134-I139 HydrophobicContact CB-CG1 3.88Å |
| 135 | R | 95 | Very high | 97.8 | Very high | 158 Ų | 158 | 43.4 Ų | 43.4 | 60% | 0.596 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 42.4 | 179 | -56.3 | 171.7 | -178.3 | -161.4 | -5.4 | 113 | E25 Q137 | E25-R135 IonicContact OE1-CZ 3.69Å; E25-R135 IonicContact OE1-NE 2.67Å; E25-R135 IonicContact OE1-NH2 3.09Å; E25-R135 PolarHBondContact OE1-NH2 2.97Å; E25-R135 IonicContact OE2-CZ 2.74Å; E25-R135 IonicContact OE2-NE 3.5Å; E25-R135 PolarHBondContact OE2-NE 2.88Å; E25-R135 IonicContact OE2-NH2 3.32Å; E25-R135 PolarHBondContact OE2-NH2 3.06Å; R135-Q137 PolarHBondContact O-N 3.18Å; R135-Q137 VanDerWaalsContact O-N 3.1Å |
| 136 | S | 93 | Very high | 97.8 | Very high | 135 Ų | 135 | 43.2 Ų | 43.2 | 94% | 0.944 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 11.7 | -176.1 | -51.3 | 0 | 0 | 0 | 0 | 115.5 | C134 | C134-S136 PolarHBondContact O-N 3.36Š|
| 137 | Q | 97.2 | Very high | 97.9 | Very high | 103 Ų | 103 | 40.3 Ų | 40.3 | 48% | 0.481 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 148 | 174.4 | -61.4 | -178.2 | 35.7 | 0 | 0 | 110.4 | S133 C134 R135 | S133-Q137 CarbonylContact C-O 3.55Å; S133-Q137 WeakPolarHBondContact CA-O 3.45Å; S133-Q137 VanDerWaalsContact CB-O 3.3Å; S133-Q137 WeakPolarHBondContact CB-O 3.45Å; C134-Q137 PolarHBondContact N-O 3.05Å; C134-Q137 WeakPolarHBondContact O-CB 3.49Å; C134-Q137 PolarHBondContact O-N 3.21Å; R135-Q137 PolarHBondContact O-N 3.18Å; R135-Q137 VanDerWaalsContact O-N 3.1Å |
| 138 | K | 98.1 | Very high | 98 | Very high | 124 Ų | 124 | 37.1 Ų | 37.1 | 54% | 0.539 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 137.3 | 171.1 | -69.5 | -58.2 | -170.7 | 176.3 | 0 | 109.2 | D30 T130 | D30-K138 IonicContact OD2-NZ 3.27Å; T130-K138 HydrophobicContact CG2-CB 3.74Å; T130-K138 HydrophobicContact CG2-CD 3.68Å; T130-K138 HydrophobicContact CG2-CG 4.07Å |
| 139 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 132.6 | 178.2 | -49.2 | -60.3 | 0 | 0 | 0 | 108 | I14 W16 P64 I66 T130 F132 C134 | I14-I139 HydrophobicContact CD1-CD1 4.35Å; I14-I139 HydrophobicContact CD1-CG1 4.36Å; I14-I139 HydrophobicContact CG2-CG2 4.28Å; W16-I139 HydrophobicContact CH2-CD1 4.04Å; W16-I139 HydrophobicContact CZ3-CD1 4.06Å; P64-I139 HydrophobicContact CB-CD1 3.91Å; P64-I139 HydrophobicContact CG-CD1 3.6Å; I66-I139 HydrophobicContact CD1-CG2 4.32Å; I66-I139 HydrophobicContact CG1-CG2 3.92Å; T130-I139 VanDerWaalsContact CB-O 3.31Å; T130-I139 WeakPolarHBondContact CB-O 3.24Å; T130-I139 WeakPolarHBondContact CG2-O 3.34Å; T130-I139 PolarHBondContact OG1-O 3.21Å; F132-I139 HydrophobicContact CB-CB 3.81Å; F132-I139 PolarHBondContact O-N 2.92Å; C134-I139 HydrophobicContact CB-CD1 4Å; C134-I139 HydrophobicContact CB-CG1 3.88Å |
| 140 | F | 98.8 | Very high | 98.1 | Very high | 59 Ų | 59 | 37 Ų | 37 | 26% | 0.259 | 19% | 0.185 | S | C | . | . | B | Isolated β-bridge | trans | -74.3 | 153.8 | -177.9 | -69.7 | -81.8 | 0 | 0 | 0 | 112.1 | V62 P64 V65 I66 L124 | V62-F140 HydrophobicContact CG1-CB 3.79Å; V62-F140 HydrophobicContact CG1-CD1 4.2Å; V62-F140 HydrophobicContact CG1-CD2 4.27Å; V62-F140 HydrophobicContact CG1-CG 3.83Å; V62-F140 HydrophobicContact CG2-CD1 4.14Å; V62-F140 HydrophobicContact CG2-CD2 3.56Å; V62-F140 HydrophobicContact CG2-CE1 4.15Å; V62-F140 HydrophobicContact CG2-CE2 3.57Å; V62-F140 HydrophobicContact CG2-CG 3.86Å; V62-F140 HydrophobicContact CG2-CZ 3.88Å; P64-F140 WeakPolarHBondContact O-CD2 3.42Å; P64-F140 PolarHBondContact O-N 3.22Å; V65-F140 HydrophobicContact CB-CB 4.33Å; V65-F140 HydrophobicContact CG2-CB 4.33Å; V65-F140 WeakPolarHBondContact CG2-O 3.34Å; I66-F140 PolarHBondContact N-O 2.94Å; L124-F140 HydrophobicContact CD2-CD1 4.09Å; L124-F140 HydrophobicContact CD2-CE1 4.05Å |
| 141 | H | 98.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.019 | 19% | 0.189 | C | C | . | . | trans | -79.9 | 161.8 | 167.1 | -74.9 | -103.3 | 0 | 0 | 0 | 110.7 | G123 T130 R131 F132 S146 V153 | G123-H141 WeakPolarHBondContact CA-O 3.3Å; G123-H141 WeakPolarHBondContact O-CB 3.33Å; G123-H141 PolarHBondContact O-N 2.94Å; T130-H141 PolarHBondContact OG1-CD2 3.33Å; T130-H141 PolarHBondContact OG1-NE2 3.24Å; R131-H141 PolarHBondContact N-NE2 2.69Å; F132-H141 AromaticContact CD2-CD2 3.87Å; F132-H141 AromaticContact CD2-CE1 3.67Å; F132-H141 AromaticContact CD2-ND1 3.98Å; F132-H141 AromaticContact CD2-NE2 3.6Å; F132-H141 AromaticContact CE2-CE1 3.23Å; F132-H141 WeakPolarHBondContact CE2-CE1 3.49Å; F132-H141 AromaticContact CE2-CG 3.91Å; F132-H141 AromaticContact CE2-ND1 3.39Å; F132-H141 WeakPolarHBondContact CE2-ND1 3.39Å; F132-H141 AromaticContact CE2-NE2 3.67Å; H141-S146 VanDerWaalsContact CA-OG 3.26Å; H141-S146 WeakPolarHBondContact CA-OG 3.17Å; H141-V153 PolarHBondContact CE1-O 3.37Å | ||
| 142 | Y | 98.5 | Very high | 98.1 | Very high | 14 Ų | 14 | 38.4 Ų | 38.4 | 6% | 0.055 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -127.8 | 124.7 | 176.7 | -177.6 | -112.9 | 0 | 0 | 0 | 110.3 | T49 D50 T53 I66 L67 H69 G144 C145 S146 | T49-Y142 WeakPolarHBondContact CG2-OH 3.43Å; T49-Y142 PolarHBondContact O-OH 3.2Å; T49-Y142 VanDerWaalsContact O-OH 3.07Å; D50-Y142 VanDerWaalsContact OD1-CE1 3.22Å; D50-Y142 WeakPolarHBondContact OD1-CE1 3.34Å; T53-Y142 HydrophobicContact CG2-CD2 4.35Å; T53-Y142 HydrophobicContact CG2-CE2 3.75Å; T53-Y142 VanDerWaalsContact OG1-CE2 3.28Å; T53-Y142 WeakPolarHBondContact OG1-CE2 3.44Å; T53-Y142 PolarHBondContact OG1-OH 3.38Å; I66-Y142 WeakPolarHBondContact O-CB 3.31Å; L67-Y142 HydrophobicContact CB-CD1 4.3Å; L67-Y142 HydrophobicContact CD2-CD1 4.1Å; L67-Y142 HydrophobicContact CD2-CD2 3.63Å; L67-Y142 HydrophobicContact CD2-CE1 4.28Å; L67-Y142 HydrophobicContact CD2-CE2 3.86Å; L67-Y142 HydrophobicContact CD2-CG 3.74Å; H69-Y142 AromaticContact ND1-CE1 3.99Å; Y142-G144 PolarHBondContact O-N 3.06Å; Y142-C145 PolarHBondContact O-N 3.46Å; Y142-S146 PolarHBondContact N-OG 3.2Å; Y142-S146 PolarHBondContact O-N 3.38Å; Y142-S146 VanDerWaalsContact O-N 3.16Å |
| 143 | M | 97.6 | Very high | 98.1 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 19% | 0.192 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 21 | 178.7 | -66.9 | 179.6 | 67.2 | 0 | 0 | 114.3 | T49 H69 Y95 Q120 C145 | T49-M143 HydrophobicContact CG2-CE 4.33Å; T49-M143 HydrophobicContact CG2-SD 3.79Å; H69-M143 HydrophobicContact CB-CB 4.2Å; H69-M143 HydrophobicContact CB-CE 4.31Å; H69-M143 HydrophobicContact CB-SD 4.04Å; Y95-M143 WeakPolarHBondContact CA-O 3.27Å; Y95-M143 HydrophobicContact CD1-CE 4.12Å; Y95-M143 HydrophobicContact CD2-CE 3.5Å; Y95-M143 HydrophobicContact CE2-CE 4.16Å; Y95-M143 HydrophobicContact CG-CE 3.46Å; Y95-M143 VanDerWaalsContact CG-CE 3.46Å; Q120-M143 PolarHBondContact NE2-O 2.92Å; M143-C145 PolarHBondContact O-N 2.84Å; M143-C145 PolarHBondContact O-SG 2.75Å |
| 144 | G | 97.7 | Very high | 98.1 | Very high | 11 Ų | 11 | 37.5 Ų | 37.5 | 11% | 0.113 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 21.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y142 V154 | Y142-G144 PolarHBondContact O-N 3.06Å; G144-V154 VanDerWaalsContact O-CG1 3.23Å; G144-V154 WeakPolarHBondContact O-CG1 3.25Å |
| 145 | C | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | -57.4 | -176.8 | -60.9 | 0 | 0 | 0 | 0 | 112.5 | H69 P93 L94 Y95 Y142 M143 T147 T152 | H69-C145 HydrophobicContact CB-CB 4.17Å; P93-C145 HydrophobicContact CB-CB 4.45Å; L94-C145 VanDerWaalsContact C-SG 3.54Å; Y95-C145 PolarHBondContact N-SG 3.27Å; Y95-C145 VanDerWaalsContact N-SG 3.38Å; Y142-C145 PolarHBondContact O-N 3.46Å; M143-C145 PolarHBondContact O-N 2.84Å; M143-C145 PolarHBondContact O-SG 2.75Å; C145-T147 HydrophobicContact CB-CG2 4.02Å; C145-T147 PolarHBondContact O-N 2.8Å; C145-T152 WeakPolarHBondContact O-CB 3.4Å; C145-T152 WeakPolarHBondContact O-CG2 3.36Å; C145-T152 PolarHBondContact O-OG1 2.77Å |
| 146 | S | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | 48.7 | 56.7 | -179.9 | -73.2 | 0 | 0 | 0 | 0 | 114.7 | I66 L67 G68 H141 Y142 F148 | I66-S146 WeakPolarHBondContact O-CB 3.07Å; I66-S146 PolarHBondContact O-OG 3.48Å; L67-S146 CarbonylContact O-C 3.57Å; L67-S146 WeakPolarHBondContact O-CA 3.44Å; G68-S146 WeakPolarHBondContact O-CA 3.49Å; G68-S146 PolarHBondContact O-N 3.46Å; H141-S146 VanDerWaalsContact CA-OG 3.26Å; H141-S146 WeakPolarHBondContact CA-OG 3.17Å; Y142-S146 PolarHBondContact N-OG 3.2Å; Y142-S146 PolarHBondContact O-N 3.38Å; Y142-S146 VanDerWaalsContact O-N 3.16Å; S146-F148 VanDerWaalsContact C-N 3.34Å; S146-F148 PolarHBondContact O-N 2.93Å | ||
| 147 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -83.3 | -5.2 | -170.8 | 62 | 0 | 0 | 0 | 0 | 114.2 | I41 T44 L67 G68 H69 P93 C145 S149 | I41-T147 HydrophobicContact CD1-CG2 4.17Å; T44-T147 WeakPolarHBondContact OG1-CB 3.33Å; T44-T147 PolarHBondContact OG1-OG1 3.07Å; L67-T147 PolarHBondContact O-N 2.96Å; G68-T147 VanDerWaalsContact CA-OG1 3.26Å; G68-T147 WeakPolarHBondContact CA-OG1 3.26Å; G68-T147 PolarHBondContact O-N 2.69Å; G68-T147 PolarHBondContact O-OG1 3.16Å; H69-T147 PolarHBondContact N-OG1 3.21Å; P93-T147 HydrophobicContact CG-CG2 3.76Å; C145-T147 HydrophobicContact CB-CG2 4.02Å; C145-T147 PolarHBondContact O-N 2.8Å; T147-S149 PolarHBondContact O-N 3.41Å | ||
| 148 | F | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.009 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -77.7 | 39.9 | 171.5 | -63.6 | -7 | 0 | 0 | 0 | 112.7 | A12 A13 L22 T44 A45 I46 D50 I66 L67 G68 S146 I359 | A12-F148 CarbonylContact C-O 3.57Å; A12-F148 WeakPolarHBondContact CA-O 3.38Å; A13-F148 HydrophobicContact CB-CB 4.19Å; A13-F148 PolarHBondContact N-O 3.1Å; L22-F148 HydrophobicContact CD1-CD2 4.05Å; L22-F148 HydrophobicContact CD1-CE2 4.2Å; T44-F148 HydrophobicContact CG2-CD1 3.83Å; T44-F148 HydrophobicContact CG2-CE1 4.21Å; A45-F148 WeakPolarHBondContact O-CE1 3.08Å; I46-F148 HydrophobicContact CB-CZ 4.41Å; I46-F148 HydrophobicContact CG1-CE1 4.2Å; I46-F148 HydrophobicContact CG1-CZ 4Å; I46-F148 HydrophobicContact CG2-CZ 4.26Å; D50-F148 HydrophobicContact CB-CE2 4.27Å; D50-F148 HydrophobicContact CB-CZ 4.17Å; I66-F148 HydrophobicContact CG2-CB 4.16Å; L67-F148 HydrophobicContact CB-CD2 3.62Å; L67-F148 HydrophobicContact CB-CE2 3.73Å; L67-F148 WeakPolarHBondContact O-CB 3.15Å; L67-F148 WeakPolarHBondContact O-CG 3.49Å; L67-F148 PolarHBondContact O-N 2.9Å; G68-F148 VanDerWaalsContact CA-CD1 3.5Å; G68-F148 VanDerWaalsContact CA-CE1 3.44Å; S146-F148 VanDerWaalsContact C-N 3.34Å; S146-F148 PolarHBondContact O-N 2.93Å; F148-I359 HydrophobicContact CB-CD1 4.2Å; F148-I359 HydrophobicContact CD1-CD1 4.04Å; F148-I359 HydrophobicContact CD2-CD1 3.53Å; F148-I359 HydrophobicContact CE1-CD1 4.3Å; F148-I359 HydrophobicContact CE2-CD1 3.85Å; F148-I359 HydrophobicContact CG-CD1 3.67Å; F148-I359 HydrophobicContact CZ-CD1 4.23Å |
| 149 | S | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.014 | 7% | 0.073 | C | C | . | . | B | Isolated β-bridge | trans | -144.8 | 146.2 | 178.4 | 177.6 | 0 | 0 | 0 | 0 | 109.7 | I41 T147 Y151 | I41-S149 VanDerWaalsContact CB-O 3.31Å; I41-S149 WeakPolarHBondContact CB-O 3.17Å; I41-S149 WeakPolarHBondContact CG1-O 3.33Å; T147-S149 PolarHBondContact O-N 3.41Å; S149-Y151 VanDerWaalsContact CB-O 3.29Å; S149-Y151 WeakPolarHBondContact CB-O 3.26Å; S149-Y151 PolarHBondContact O-N 2.93Å; S149-Y151 PolarHBondContact OG-N 2.6Å; S149-Y151 PolarHBondContact OG-O 3.41Å |
| 150 | Q | 98.8 | Very high | 98.7 | Very high | 89 Ų | 89 | 15 Ų | 15 | 42% | 0.416 | 7% | 0.073 | S | C | . | . | S | Bend | trans | -61.6 | -28.6 | 174.3 | -72.2 | 179.2 | -38.9 | 0 | 0 | 112.8 | C10 K11 K40 I41 L356 | C10-Q150 HydrophobicContact CB-CB 3.93Å; K11-Q150 HydrophobicContact CB-CG 4.4Å; K11-Q150 PolarHBondContact O-N 2.86Å; K40-Q150 CarbonylContact C-O 3.37Å; K40-Q150 WeakPolarHBondContact CA-O 3.35Å; I41-Q150 PolarHBondContact N-O 3.22Å; Q150-L356 HydrophobicContact CG-CD2 4.28Å |
| 151 | Y | 98.9 | Very high | 98.7 | Very high | 41 Ų | 41 | 17 Ų | 17 | 16% | 0.161 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 140.3 | 171.5 | -67 | -95.1 | 0 | 0 | 0 | 110.7 | I8 C10 I39 K40 E76 F132 S149 | I8-Y151 HydrophobicContact CD1-CD1 3.94Å; I8-Y151 HydrophobicContact CD1-CE1 3.99Å; I8-Y151 HydrophobicContact CD1-CG 4.29Å; I8-Y151 HydrophobicContact CG2-CD2 3.79Å; I8-Y151 HydrophobicContact CG2-CE2 3.97Å; I8-Y151 HydrophobicContact CG2-CG 4.24Å; C10-Y151 HydrophobicContact CB-CD2 3.75Å; C10-Y151 HydrophobicContact CB-CE2 4.34Å; I39-Y151 VanDerWaalsContact O-CA 3.26Å; I39-Y151 WeakPolarHBondContact O-CA 3.22Å; K40-Y151 HydrophobicContact CB-CD1 3.92Å; K40-Y151 HydrophobicContact CB-CE1 3.5Å; K40-Y151 VanDerWaalsContact CB-CE1 3.5Å; K40-Y151 HydrophobicContact CD-CE1 4.21Å; K40-Y151 HydrophobicContact CG-CD1 4.36Å; K40-Y151 HydrophobicContact CG-CE1 3.75Å; K40-Y151 HydrophobicContact CG-CE2 4.43Å; E76-Y151 HydrophobicContact CB-CD1 4.43Å; E76-Y151 HydrophobicContact CB-CE1 4.1Å; E76-Y151 HydrophobicContact CG-CE1 3.97Å; F132-Y151 WeakPolarHBondContact CE1-O 3.39Å; S149-Y151 VanDerWaalsContact CB-O 3.29Å; S149-Y151 WeakPolarHBondContact CB-O 3.26Å; S149-Y151 PolarHBondContact O-N 2.93Å; S149-Y151 PolarHBondContact OG-N 2.6Å; S149-Y151 PolarHBondContact OG-O 3.41Å |
| 152 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 161.6 | 172.7 | -171.8 | 0 | 0 | 0 | 0 | 110.6 | R38 I39 I41 C145 V154 | R38-T152 CarbonylContact C-O 3.08Å; R38-T152 VanDerWaalsContact CA-O 3.29Å; R38-T152 WeakPolarHBondContact CA-O 3.48Å; I39-T152 HydrophobicContact CB-CG2 4.2Å; I39-T152 PolarHBondContact N-O 3.38Å; I39-T152 PolarHBondContact O-N 2.89Å; I41-T152 HydrophobicContact CD1-CG2 3.82Å; I41-T152 HydrophobicContact CG1-CG2 3.98Å; C145-T152 WeakPolarHBondContact O-CB 3.4Å; C145-T152 WeakPolarHBondContact O-CG2 3.36Å; C145-T152 PolarHBondContact O-OG1 2.77Å; T152-V154 HydrophobicContact CG2-CG1 4.14Å |
| 153 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 128.1 | 172.5 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | V29 D30 P32 E36 V37 R38 M125 R131 H141 | V29-V153 HydrophobicContact CG1-CG2 3.81Å; D30-V153 WeakPolarHBondContact O-CG2 3.42Å; P32-V153 HydrophobicContact CB-CG1 4.17Å; E36-V153 HydrophobicContact CB-CG1 3.87Å; V37-V153 WeakPolarHBondContact O-CA 3.29Å; R38-V153 HydrophobicContact CB-CG2 4.05Å; R38-V153 HydrophobicContact CG-CG2 3.91Å; M125-V153 HydrophobicContact CE-CG1 4.23Å; R131-V153 HydrophobicContact CB-CB 3.94Å; R131-V153 HydrophobicContact CB-CG2 3.96Å; R131-V153 HydrophobicContact CG-CB 3.77Å; R131-V153 HydrophobicContact CG-CG1 3.86Å; R131-V153 HydrophobicContact CG-CG2 4.1Å; H141-V153 PolarHBondContact CE1-O 3.37Å |
| 154 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 161.6 | -177.6 | -58.5 | 0 | 0 | 0 | 0 | 110.4 | E36 V37 I39 P93 G144 T152 V159 | E36-V154 CarbonylContact C-O 3.58Å; E36-V154 VanDerWaalsContact CA-O 3.3Å; E36-V154 WeakPolarHBondContact CA-O 3.36Å; V37-V154 HydrophobicContact CB-CG2 4.34Å; V37-V154 PolarHBondContact N-O 2.87Å; V37-V154 PolarHBondContact O-N 3.14Å; I39-V154 HydrophobicContact CD1-CG2 3.61Å; I39-V154 HydrophobicContact CG1-CG2 4.43Å; P93-V154 HydrophobicContact CB-CG1 4.15Å; G144-V154 VanDerWaalsContact O-CG1 3.23Å; G144-V154 WeakPolarHBondContact O-CG1 3.25Å; T152-V154 HydrophobicContact CG2-CG1 4.14Å; V154-V159 HydrophobicContact CG2-CG2 3.41Å; V154-V159 VanDerWaalsContact CG2-CG2 3.41Å |
| 155 | A | 98.7 | Very high | 98.8 | Very high | 7 Ų | 7 | 25.8 Ų | 25.8 | 6% | 0.058 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 142.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | I116 P126 I157 S158 | I116-A155 HydrophobicContact CD1-CB 3.92Å; P126-A155 HydrophobicContact CG-CB 3.94Å; A155-I157 HydrophobicContact CB-CG1 4.07Å; A155-I157 PolarHBondContact O-N 2.88Å; A155-I157 VanDerWaalsContact O-N 3.14Å; A155-S158 WeakPolarHBondContact O-CA 3.4Å; A155-S158 WeakPolarHBondContact O-CB 3.39Å; A155-S158 PolarHBondContact O-N 2.82Å |
| 156 | E | 98.7 | Very high | 98.8 | Very high | 18 Ų | 18 | 26 Ų | 26 | 8% | 0.084 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -53.2 | -38.5 | 178.2 | -179.9 | -172.8 | -158.6 | 0 | 0 | 112.3 | N35 V37 V82 T83 S84 S158 V159 | N35-E156 WeakPolarHBondContact O-CB 3.26Å; N35-E156 PolarHBondContact O-N 2.86Å; V37-E156 HydrophobicContact CG2-CB 4.28Å; V82-E156 HydrophobicContact CG1-CG 4.05Å; V82-E156 HydrophobicContact CG2-CB 4.16Å; V82-E156 HydrophobicContact CG2-CG 4.37Å; T83-E156 PolarHBondContact N-OE1 2.57Å; S84-E156 VanDerWaalsContact CB-OE1 3.3Å; S84-E156 WeakPolarHBondContact CB-OE1 3.41Å; S84-E156 PolarHBondContact N-OE1 3.04Å; S84-E156 VanDerWaalsContact OG-CD 3.24Å; S84-E156 WeakPolarHBondContact OG-CG 3.3Å; S84-E156 PolarHBondContact OG-OE1 3Å; E156-S158 PolarHBondContact O-N 3.21Å; E156-S158 VanDerWaalsContact O-N 3.08Å; E156-V159 PolarHBondContact O-N 2.88Å; E156-V159 VanDerWaalsContact O-N 3.1Å |
| 157 | I | 98.7 | Very high | 98.7 | Very high | 29 Ų | 29 | 28.2 Ų | 28.2 | 15% | 0.149 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -69 | -4.1 | 178.5 | 65.8 | 168 | 0 | 0 | 0 | 113.7 | P97 Q98 C99 K115 I116 A155 R329 | P97-I157 CarbonylContact C-O 3.56Å; P97-I157 WeakPolarHBondContact CA-O 3.34Å; P97-I157 HydrophobicContact CB-CD1 3.89Å; P97-I157 HydrophobicContact CB-CG1 3.94Å; Q98-I157 PolarHBondContact N-O 2.82Å; C99-I157 HydrophobicContact CB-CB 4.39Å; C99-I157 HydrophobicContact CB-CD1 4Å; C99-I157 HydrophobicContact CB-CG2 4.03Å; K115-I157 HydrophobicContact CB-CD1 3.9Å; K115-I157 HydrophobicContact CG-CD1 3.92Å; I116-I157 HydrophobicContact CD1-CD1 4.22Å; I116-I157 HydrophobicContact CD1-CG1 4.35Å; I116-I157 HydrophobicContact CG1-CD1 4.16Å; I116-I157 HydrophobicContact CG2-CD1 3.79Å; A155-I157 HydrophobicContact CB-CG1 4.07Å; A155-I157 PolarHBondContact O-N 2.88Å; A155-I157 VanDerWaalsContact O-N 3.14Å; I157-R329 VanDerWaalsContact O-CD 3.24Å; I157-R329 WeakPolarHBondContact O-CD 3.42Å |
| 158 | S | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -109 | 20.4 | 174.6 | -70.7 | 0 | 0 | 0 | 0 | 111.9 | P93 L94 A155 E156 | P93-S158 CarbonylContact C-O 3.57Å; P93-S158 WeakPolarHBondContact CA-O 3.49Å; L94-S158 WeakPolarHBondContact CB-O 3.23Å; L94-S158 PolarHBondContact N-O 3.35Å; L94-S158 VanDerWaalsContact O-CB 3.24Å; L94-S158 WeakPolarHBondContact O-CB 3.38Å; L94-S158 PolarHBondContact O-OG 2.88Å; A155-S158 WeakPolarHBondContact O-CA 3.4Å; A155-S158 WeakPolarHBondContact O-CB 3.39Å; A155-S158 PolarHBondContact O-N 2.82Å; E156-S158 PolarHBondContact O-N 3.21Å; E156-S158 VanDerWaalsContact O-N 3.08Å |
| 159 | V | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 121.8 | -178.9 | -174.2 | 0 | 0 | 0 | 0 | 111.1 | V37 I39 V85 V91 V154 E156 R329 | V37-V159 HydrophobicContact CB-CG2 4.07Å; V37-V159 HydrophobicContact CG1-CG2 4.41Å; V37-V159 HydrophobicContact CG2-CG2 4.07Å; I39-V159 HydrophobicContact CD1-CG2 4.36Å; V85-V159 HydrophobicContact CG1-CG1 4.01Å; V85-V159 HydrophobicContact CG2-CG1 4.48Å; V91-V159 HydrophobicContact CB-CG1 3.66Å; V91-V159 HydrophobicContact CG1-CG1 3.45Å; V91-V159 VanDerWaalsContact CG1-CG1 3.45Å; V91-V159 HydrophobicContact CG2-CG1 4.3Å; V154-V159 HydrophobicContact CG2-CG2 3.41Å; V154-V159 VanDerWaalsContact CG2-CG2 3.41Å; E156-V159 PolarHBondContact O-N 2.88Å; E156-V159 VanDerWaalsContact O-N 3.1Å; V159-R329 WeakPolarHBondContact O-CG 3.14Å; V159-R329 PolarHBondContact O-NE 2.87Å |
| 160 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | V91 I92 L94 V162 V332 P333 | V91-A160 CarbonylContact C-O 3.58Å; V91-A160 WeakPolarHBondContact CA-O 3.47Å; V91-A160 WeakPolarHBondContact CB-O 3.49Å; I92-A160 PolarHBondContact N-O 3.06Å; I92-A160 PolarHBondContact O-N 2.96Å; L94-A160 HydrophobicContact CD1-CB 3.65Å; L94-A160 HydrophobicContact CD2-CB 4.44Å; L94-A160 HydrophobicContact CG-CB 4.24Å; A160-V162 HydrophobicContact CB-CG1 4.49Å; A160-V332 HydrophobicContact CB-CB 3.99Å; A160-V332 HydrophobicContact CB-CG1 3.95Å; A160-P333 HydrophobicContact CB-CG 4.22Å |
| 161 | K | 98.9 | Very high | 98.6 | Very high | 100 Ų | 100 | 30.2 Ų | 30.2 | 44% | 0.435 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 128.8 | 170 | -177.9 | 173.7 | 179.2 | 154.8 | 0 | 109.6 | V85 D89 P333 | V85-K161 HydrophobicContact CG1-CB 4.05Å; D89-K161 HydrophobicContact CB-CD 4.47Å; D89-K161 HydrophobicContact CB-CG 4.47Å; D89-K161 WeakPolarHBondContact OD1-CE 3.37Å; D89-K161 IonicContact OD1-NZ 2.67Å; D89-K161 PolarHBondContact OD1-NZ 3.48Å; D89-K161 WeakPolarHBondContact OD2-CD 3.15Å; D89-K161 VanDerWaalsContact OD2-CE 3.31Å; D89-K161 WeakPolarHBondContact OD2-CE 3.21Å; D89-K161 IonicContact OD2-NZ 2.72Å; D89-K161 PolarHBondContact OD2-NZ 3.02Å; K161-P333 WeakPolarHBondContact O-CB 3.38Å; K161-P333 WeakPolarHBondContact O-CG 3.33Å |
| 162 | V | 98.8 | Very high | 98.6 | Very high | 11 Ų | 11 | 28.5 Ų | 28.5 | 7% | 0.067 | 15% | 0.149 | C | C | . | . | trans | -127 | 172.8 | -171.6 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | H90 I92 A160 V164 I171 V332 V336 | H90-V162 HydrophobicContact CB-CG2 4.02Å; H90-V162 WeakPolarHBondContact O-CG2 3.33Å; H90-V162 PolarHBondContact O-N 3.21Å; I92-V162 HydrophobicContact CD1-CG1 4.07Å; I92-V162 HydrophobicContact CG1-CG1 4.19Å; A160-V162 HydrophobicContact CB-CG1 4.49Å; V162-V164 PolarHBondContact O-N 3.18Å; V162-I171 HydrophobicContact CG2-CD1 3.78Å; V162-V332 HydrophobicContact CG1-CG1 4.45Å; V162-V336 HydrophobicContact CB-CG1 4.37Å; V162-V336 HydrophobicContact CB-CG2 4.1Å; V162-V336 HydrophobicContact CG1-CG2 3.85Å | ||
| 163 | N | 98.4 | Very high | 98.5 | Very high | 36 Ų | 36 | 29.2 Ų | 29.2 | 19% | 0.193 | 15% | 0.153 | C | C | . | . | trans | -57.2 | 126.6 | 178 | -165.9 | -45.9 | 0 | 0 | 0 | 111.7 | N165 A166 V336 E337 | N163-N165 PolarHBondContact O-N 3.25Å; N163-N165 WeakPolarHBondContact OD1-CB 3.43Å; N163-N165 PolarHBondContact OD1-N 3.17Å; N163-A166 HydrophobicContact CB-CB 4.07Å; N163-A166 WeakPolarHBondContact O-CB 3.48Å; N163-A166 PolarHBondContact O-N 3.22Å; N163-V336 HydrophobicContact CB-CG1 3.89Å; N163-E337 VanDerWaalsContact CB-OE1 3.3Å; N163-E337 WeakPolarHBondContact CB-OE1 3.39Å; N163-E337 PolarHBondContact ND2-OE1 3.44Å | ||
| 164 | V | 98.4 | Very high | 98.5 | Very high | 77 Ų | 77 | 29.2 Ų | 29.2 | 47% | 0.467 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -21.2 | -178.8 | -63.3 | 0 | 0 | 0 | 0 | 113.6 | H90 V162 | H90-V164 HydrophobicContact CB-CG1 4.3Å; H90-V164 PolarHBondContact CE1-O 3.25Å; H90-V164 VanDerWaalsContact ND1-CA 3.33Å; H90-V164 WeakPolarHBondContact ND1-CA 3.31Å; H90-V164 PolarHBondContact ND1-O 3.45Å; V162-V164 PolarHBondContact O-N 3.18Å |
| 165 | N | 98.4 | Very high | 98.5 | Very high | 129 Ų | 129 | 29.2 Ų | 29.2 | 69% | 0.69 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -5 | 178.3 | -58.9 | -45.5 | 0 | 0 | 0 | 112.9 | N163 M340 | N163-N165 PolarHBondContact O-N 3.25Å; N163-N165 WeakPolarHBondContact OD1-CB 3.43Å; N163-N165 PolarHBondContact OD1-N 3.17Å; N165-M340 HydrophobicContact CB-CE 4.41Å |
| 166 | A | 98.6 | Very high | 98.5 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 3% | 0.033 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -74.7 | 133.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N163 M168 I171 V336 M340 | N163-A166 HydrophobicContact CB-CB 4.07Å; N163-A166 WeakPolarHBondContact O-CB 3.48Å; N163-A166 PolarHBondContact O-N 3.22Å; A166-M168 PolarHBondContact O-N 3.28Å; A166-M168 VanDerWaalsContact O-N 3.14Å; A166-I171 HydrophobicContact CB-CD1 3.92Å; A166-I171 HydrophobicContact CB-CG1 4.5Å; A166-I171 HydrophobicContact CB-CG2 3.91Å; A166-V336 HydrophobicContact CB-CG1 3.67Å; A166-M340 VanDerWaalsContact CA-SD 3.59Å; A166-M340 HydrophobicContact CB-CE 4.48Å; A166-M340 HydrophobicContact CB-CG 4.16Å; A166-M340 HydrophobicContact CB-SD 3.66Å |
| 167 | P | 98.4 | Very high | 98.4 | Very high | 46 Ų | 46 | 28.7 Ų | 28.7 | 30% | 0.299 | 15% | 0.151 | S | C | . | . | trans | -68.9 | 111.1 | -178.7 | 26.8 | -34 | 0 | 0 | 0 | 111 | Q169 K170 I171 Y339 | P167-Q169 PolarHBondContact O-N 3.23Å; P167-K170 HydrophobicContact CB-CG 4.1Å; P167-K170 HydrophobicContact CG-CB 4.08Å; P167-K170 HydrophobicContact CG-CG 3.88Å; P167-K170 WeakPolarHBondContact O-CB 3.49Å; P167-K170 PolarHBondContact O-N 3.32Å; P167-I171 WeakPolarHBondContact O-CG1 2.96Å; P167-I171 PolarHBondContact O-N 2.72Å; P167-Y339 HydrophobicContact CG-CE1 3.83Å; P167-Y339 WeakPolarHBondContact CG-OH 3.21Å | ||
| 168 | M | 98.2 | Very high | 98.4 | Very high | 11 Ų | 11 | 27.3 Ų | 27.3 | 5% | 0.054 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.1 | -30.5 | -175.8 | -67.4 | -168.6 | -175.5 | 0 | 0 | 113.6 | V42 A43 A72 G73 I74 H90 A166 K170 C172 | V42-M168 HydrophobicContact CB-CB 4.2Å; V42-M168 HydrophobicContact CB-CG 4.49Å; V42-M168 HydrophobicContact CB-SD 3.45Å; V42-M168 WeakPolarHBondContact CB-SD 3.44Å; V42-M168 HydrophobicContact CG1-CB 4.02Å; V42-M168 HydrophobicContact CG1-SD 3.89Å; V42-M168 HydrophobicContact CG2-SD 3.49Å; V42-M168 WeakPolarHBondContact CG2-SD 3.35Å; A43-M168 HydrophobicContact CB-CB 4.46Å; A43-M168 WeakPolarHBondContact CB-O 3.49Å; A72-M168 HydrophobicContact CB-CB 3.83Å; A72-M168 HydrophobicContact CB-CG 4.08Å; G73-M168 WeakPolarHBondContact O-CE 3.35Å; I74-M168 HydrophobicContact CD1-CE 4.29Å; I74-M168 HydrophobicContact CG1-CE 3.51Å; I74-M168 HydrophobicContact CG1-SD 4.29Å; H90-M168 HydrophobicContact CB-CE 3.76Å; H90-M168 VanDerWaalsContact CE1-CE 3.42Å; H90-M168 WeakPolarHBondContact CE1-CE 3.36Å; H90-M168 WeakPolarHBondContact ND1-CE 3.13Å; A166-M168 PolarHBondContact O-N 3.28Å; A166-M168 VanDerWaalsContact O-N 3.14Å; M168-K170 PolarHBondContact O-N 3.15Å; M168-K170 VanDerWaalsContact O-N 3.14Å; M168-C172 WeakPolarHBondContact O-CB 3.46Å; M168-C172 PolarHBondContact O-N 3.09Å; M168-C172 PolarHBondContact O-SG 3.25Å |
| 169 | Q | 97.3 | Very high | 98.4 | Very high | 86 Ų | 86 | 27.3 Ų | 27.3 | 40% | 0.402 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -65.9 | -10.9 | 176.1 | -58 | 77.2 | 12.3 | 0 | 0 | 113.3 | A43 P167 | A43-Q169 HydrophobicContact CB-CB 4.41Å; A43-Q169 HydrophobicContact CB-CG 4.23Å; P167-Q169 PolarHBondContact O-N 3.23Å |
| 170 | K | 98.3 | Very high | 98.3 | Very high | 39 Ų | 39 | 27.9 Ų | 27.9 | 17% | 0.17 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -111.4 | -53.1 | 178.8 | -54 | -59.8 | -163.9 | 166.4 | 0 | 110.3 | P167 M168 C172 L173 Y339 V346 D347 V350 | P167-K170 HydrophobicContact CB-CG 4.1Å; P167-K170 HydrophobicContact CG-CB 4.08Å; P167-K170 HydrophobicContact CG-CG 3.88Å; P167-K170 WeakPolarHBondContact O-CB 3.49Å; P167-K170 PolarHBondContact O-N 3.32Å; M168-K170 PolarHBondContact O-N 3.15Å; M168-K170 VanDerWaalsContact O-N 3.14Å; K170-C172 PolarHBondContact O-N 2.88Å; K170-C172 VanDerWaalsContact O-N 3.12Å; K170-L173 PolarHBondContact O-N 3.25Å; K170-Y339 HydrophobicContact CB-CE1 4.19Å; K170-Y339 WeakPolarHBondContact CB-OH 3.33Å; K170-Y339 WeakPolarHBondContact CG-OH 3.22Å; K170-V346 HydrophobicContact CB-CG1 4.05Å; K170-V346 VanDerWaalsContact O-CG1 3.26Å; K170-V346 WeakPolarHBondContact O-CG1 3.47Å; K170-D347 WeakPolarHBondContact CD-OD1 3.2Å; K170-D347 WeakPolarHBondContact CE-OD1 3.39Å; K170-D347 WeakPolarHBondContact CG-OD1 3.14Å; K170-D347 IonicContact NZ-OD1 3.46Å; K170-V350 HydrophobicContact CD-CB 4.45Å; K170-V350 HydrophobicContact CD-CG2 3.77Å |
| 171 | I | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.6 | -13.2 | -174.8 | 62.7 | 158.5 | 0 | 0 | 0 | 114 | A72 I92 V162 A166 P167 L173 L174 V336 Y339 | A72-I171 HydrophobicContact CB-CD1 4.36Å; A72-I171 HydrophobicContact CB-CG1 4.09Å; I92-I171 HydrophobicContact CD1-CB 4.24Å; I92-I171 HydrophobicContact CD1-CD1 4.19Å; I92-I171 HydrophobicContact CD1-CG1 4.43Å; I92-I171 WeakPolarHBondContact CD1-O 3.27Å; I92-I171 HydrophobicContact CG1-CD1 4.4Å; V162-I171 HydrophobicContact CG2-CD1 3.78Å; A166-I171 HydrophobicContact CB-CD1 3.92Å; A166-I171 HydrophobicContact CB-CG1 4.5Å; A166-I171 HydrophobicContact CB-CG2 3.91Å; P167-I171 WeakPolarHBondContact O-CG1 2.96Å; P167-I171 PolarHBondContact O-N 2.72Å; I171-L173 PolarHBondContact O-N 3.18Å; I171-L174 HydrophobicContact CB-CD1 4.27Å; I171-L174 HydrophobicContact CG2-CD1 4.2Å; I171-L174 WeakPolarHBondContact O-CB 3.4Å; I171-L174 PolarHBondContact O-N 2.83Å; I171-V336 HydrophobicContact CB-CG2 4.24Å; I171-V336 HydrophobicContact CD1-CG2 4.43Å; I171-V336 HydrophobicContact CG2-CG1 4.25Å; I171-V336 HydrophobicContact CG2-CG2 4.17Å; I171-Y339 HydrophobicContact CG2-CD1 3.7Å; I171-Y339 HydrophobicContact CG2-CE1 3.88Å |
| 172 | C | 98.5 | Very high | 98.2 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 3% | 0.034 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -55.4 | -30.3 | 171.5 | 58 | 0 | 0 | 0 | 0 | 112.8 | A43 E70 A72 M168 K170 L174 G175 | A43-C172 HydrophobicContact CB-CB 4.46Å; E70-C172 CarbonylContact C-O 3.55Å; A72-C172 HydrophobicContact CB-CB 3.91Å; M168-C172 WeakPolarHBondContact O-CB 3.46Å; M168-C172 PolarHBondContact O-N 3.09Å; M168-C172 PolarHBondContact O-SG 3.25Å; K170-C172 PolarHBondContact O-N 2.88Å; K170-C172 VanDerWaalsContact O-N 3.12Å; C172-L174 PolarHBondContact O-N 3.39Å; C172-G175 PolarHBondContact O-N 2.48Å |
| 173 | L | 98.5 | Very high | 98.2 | Very high | 15 Ų | 15 | 22.7 Ų | 22.7 | 8% | 0.079 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -68.3 | -19.9 | 175.8 | -63.3 | 175.5 | 0 | 0 | 0 | 113.5 | A45 E70 K170 I171 G175 C176 I178 V346 F349 V350 | A45-L173 HydrophobicContact CB-CD2 3.48Å; A45-L173 VanDerWaalsContact CB-CD2 3.48Å; E70-L173 WeakPolarHBondContact OE2-CD2 3.29Å; K170-L173 PolarHBondContact O-N 3.25Å; I171-L173 PolarHBondContact O-N 3.18Å; L173-G175 PolarHBondContact O-N 3.06Å; L173-C176 PolarHBondContact O-N 3Å; L173-I178 HydrophobicContact CB-CD1 3.73Å; L173-I178 HydrophobicContact CB-CG1 4.38Å; L173-I178 HydrophobicContact CD1-CD1 4.09Å; L173-V346 HydrophobicContact CB-CG1 4.46Å; L173-V346 HydrophobicContact CD1-CG1 4.2Å; L173-F349 HydrophobicContact CD1-CB 3.67Å; L173-V350 HydrophobicContact CD1-CG2 3.69Å |
| 174 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -76.7 | 3.8 | 175.9 | -58.9 | 177.6 | 0 | 0 | 0 | 112.5 | I92 I171 C172 I178 P179 L335 V336 L344 V346 | I92-L174 HydrophobicContact CD1-CB 4.17Å; I171-L174 HydrophobicContact CB-CD1 4.27Å; I171-L174 HydrophobicContact CG2-CD1 4.2Å; I171-L174 WeakPolarHBondContact O-CB 3.4Å; I171-L174 PolarHBondContact O-N 2.83Å; C172-L174 PolarHBondContact O-N 3.39Å; L174-I178 HydrophobicContact CD2-CB 4.18Å; L174-I178 HydrophobicContact CD2-CG2 3.95Å; L174-P179 HydrophobicContact CB-CG 4.41Å; L174-P179 HydrophobicContact CD2-CG 4.49Å; L174-P179 WeakPolarHBondContact O-CG 3.36Å; L174-L335 HydrophobicContact CD1-CB 4.37Å; L174-V336 HydrophobicContact CD1-CB 4.36Å; L174-V336 HydrophobicContact CD1-CG2 3.64Å; L174-L344 HydrophobicContact CD2-CD2 3.81Å; L174-V346 HydrophobicContact CD2-CG2 4.07Å |
| 175 | G | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -83.7 | -16.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y95 C172 L173 F323 | Y95-G175 WeakPolarHBondContact CD1-O 3.5Å; Y95-G175 WeakPolarHBondContact CE1-O 3.41Å; C172-G175 PolarHBondContact O-N 2.48Å; L173-G175 PolarHBondContact O-N 3.06Å; G175-F323 WeakPolarHBondContact O-CE2 3.23Å |
| 176 | C | 98.1 | Very high | 97.9 | Very high | 11 Ų | 11 | 12 Ų | 12 | 7% | 0.074 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -151.6 | -86.3 | -178.5 | -173.6 | 0 | 0 | 0 | 0 | 115.8 | H69 E70 Y95 L173 I178 P179 T180 | H69-C176 PolarHBondContact NE2-SG 3.17Å; H69-C176 VanDerWaalsContact NE2-SG 3.42Å; E70-C176 HydrophobicContact CG-CB 3.51Å; E70-C176 WeakPolarHBondContact OE1-CB 3.17Å; Y95-C176 HydrophobicContact CE1-CB 3.97Å; L173-C176 PolarHBondContact O-N 3Å; C176-I178 PolarHBondContact O-N 2.89Å; C176-P179 WeakPolarHBondContact O-CD 3.16Å; C176-T180 WeakPolarHBondContact O-CB 3.49Å; C176-T180 PolarHBondContact O-N 2.67Å; C176-T180 PolarHBondContact O-OG1 3.41Å |
| 177 | G | 96.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 14.6 Ų | 14.6 | 2% | 0.021 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.5 | -45.4 | -159.5 | 0 | 0 | 0 | 0 | 0 | 114 | T180 G181 | G177-T180 WeakPolarHBondContact O-CB 3.2Å; G177-T180 PolarHBondContact O-N 3.42Å; G177-G181 PolarHBondContact O-N 3.33Å; G177-G181 VanDerWaalsContact O-N 3.14Å |
| 178 | I | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.1 | -56.3 | -178.7 | -61.7 | 173.6 | 0 | 0 | 0 | 111.4 | L173 L174 C176 T180 G181 Y182 S209 M212 L344 V346 F349 | L173-I178 HydrophobicContact CB-CD1 3.73Å; L173-I178 HydrophobicContact CB-CG1 4.38Å; L173-I178 HydrophobicContact CD1-CD1 4.09Å; L174-I178 HydrophobicContact CD2-CB 4.18Å; L174-I178 HydrophobicContact CD2-CG2 3.95Å; C176-I178 PolarHBondContact O-N 2.89Å; I178-T180 PolarHBondContact O-N 2.86Å; I178-T180 VanDerWaalsContact O-N 3.17Å; I178-G181 PolarHBondContact O-N 2.94Å; I178-Y182 WeakPolarHBondContact O-CB 3.38Å; I178-Y182 PolarHBondContact O-N 2.78Å; I178-S209 WeakPolarHBondContact CA-OG 3.42Å; I178-S209 WeakPolarHBondContact O-CB 3.19Å; I178-M212 HydrophobicContact CG2-CE 4.19Å; I178-L344 HydrophobicContact CG2-CD1 4.46Å; I178-L344 HydrophobicContact CG2-CD2 4.33Å; I178-V346 HydrophobicContact CD1-CB 4.27Å; I178-V346 HydrophobicContact CD1-CG1 3.99Å; I178-V346 HydrophobicContact CD1-CG2 4.16Å; I178-F349 HydrophobicContact CD1-CB 4.3Å; I178-F349 HydrophobicContact CD1-CD2 3.41Å; I178-F349 VanDerWaalsContact CD1-CD2 3.41Å; I178-F349 HydrophobicContact CD1-CE2 3.78Å; I178-F349 HydrophobicContact CD1-CG 3.93Å; I178-F349 HydrophobicContact CG1-CD1 4.49Å; I178-F349 HydrophobicContact CG1-CD2 3.84Å; I178-F349 HydrophobicContact CG1-CE1 4.49Å; I178-F349 HydrophobicContact CG1-CE2 3.83Å; I178-F349 HydrophobicContact CG1-CG 4.16Å; I178-F349 HydrophobicContact CG1-CZ 4.17Å |
| 179 | P | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -56.3 | -33.9 | 175.5 | -21.1 | 25.8 | 0 | 0 | 0 | 113.1 | L174 C176 G183 F323 W326 L335 | L174-P179 HydrophobicContact CB-CG 4.41Å; L174-P179 HydrophobicContact CD2-CG 4.49Å; L174-P179 WeakPolarHBondContact O-CG 3.36Å; C176-P179 WeakPolarHBondContact O-CD 3.16Å; P179-G183 WeakPolarHBondContact O-CA 3.38Å; P179-G183 PolarHBondContact O-N 3.31Å; P179-F323 HydrophobicContact CB-CD2 4.19Å; P179-F323 HydrophobicContact CB-CE1 4.44Å; P179-F323 HydrophobicContact CB-CE2 3.63Å; P179-F323 HydrophobicContact CB-CZ 3.79Å; P179-F323 HydrophobicContact CG-CE2 3.75Å; P179-F323 HydrophobicContact CG-CZ 3.86Å; P179-W326 VanDerWaalsContact O-CD1 3.23Å; P179-W326 PolarHBondContact O-NE1 3.48Å; P179-L335 HydrophobicContact CB-CD1 3.83Å; P179-L335 HydrophobicContact CG-CD1 3.92Å |
| 180 | T | 98.4 | Very high | 95.8 | Very high | 13 Ų | 13 | 13.6 Ų | 13.6 | 8% | 0.08 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.6 | -57 | -179.1 | -63.4 | 0 | 0 | 0 | 0 | 111.9 | C176 G177 I178 A184 V206 L296 G324 | C176-T180 WeakPolarHBondContact O-CB 3.49Å; C176-T180 PolarHBondContact O-N 2.67Å; C176-T180 PolarHBondContact O-OG1 3.41Å; G177-T180 WeakPolarHBondContact O-CB 3.2Å; G177-T180 PolarHBondContact O-N 3.42Å; I178-T180 PolarHBondContact O-N 2.86Å; I178-T180 VanDerWaalsContact O-N 3.17Å; T180-A184 VanDerWaalsContact O-CB 3.26Å; T180-A184 WeakPolarHBondContact O-CB 3.48Å; T180-A184 PolarHBondContact O-N 3.43Å; T180-V206 HydrophobicContact CG2-CG1 4.18Å; T180-L296 HydrophobicContact CG2-CD2 4.46Å; T180-G324 VanDerWaalsContact O-CA 3.29Å; T180-G324 WeakPolarHBondContact O-CA 3.34Å |
| 181 | G | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -70 | -45.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G177 I178 G183 A184 A185 V206 V210 | G177-G181 PolarHBondContact O-N 3.33Å; G177-G181 VanDerWaalsContact O-N 3.14Å; I178-G181 PolarHBondContact O-N 2.94Å; G181-G183 PolarHBondContact O-N 2.74Å; G181-A184 WeakPolarHBondContact O-CB 3.48Å; G181-A184 PolarHBondContact O-N 3.03Å; G181-A185 PolarHBondContact O-N 3.42Å; G181-V206 WeakPolarHBondContact CA-O 3.4Å; G181-V210 WeakPolarHBondContact O-CA 3.4Å; G181-V210 WeakPolarHBondContact O-CG2 3.41Å |
| 182 | Y | 97.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 14.8 Ų | 14.8 | 1% | 0.008 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.4 | -46.8 | -179.1 | -177.8 | -115.7 | 0 | 0 | 0 | 111.5 | I178 A184 A185 L186 S209 M212 E216 W326 L335 L344 | I178-Y182 WeakPolarHBondContact O-CB 3.38Å; I178-Y182 PolarHBondContact O-N 2.78Å; Y182-A184 VanDerWaalsContact C-N 3.33Å; Y182-A184 PolarHBondContact O-N 3.26Å; Y182-A185 PolarHBondContact O-N 3.39Å; Y182-L186 HydrophobicContact CD1-CD1 3.98Å; Y182-L186 HydrophobicContact CD2-CD1 4.35Å; Y182-L186 HydrophobicContact CE1-CD1 3.45Å; Y182-L186 VanDerWaalsContact CE1-CD1 3.45Å; Y182-L186 HydrophobicContact CE1-CG 4.49Å; Y182-L186 HydrophobicContact CE2-CD1 3.85Å; Y182-L186 HydrophobicContact CE2-CG 4.34Å; Y182-L186 HydrophobicContact CG-CD1 4.41Å; Y182-L186 WeakPolarHBondContact O-CG 3.49Å; Y182-L186 PolarHBondContact O-N 3.45Å; Y182-S209 WeakPolarHBondContact CA-O 3.49Å; Y182-S209 PolarHBondContact N-O 3.25Å; Y182-M212 HydrophobicContact CD2-CE 4Å; Y182-M212 HydrophobicContact CD2-CG 4.37Å; Y182-M212 HydrophobicContact CE2-CG 4.47Å; Y182-M212 HydrophobicContact CG-CE 4.39Å; Y182-E216 WeakPolarHBondContact CE2-OE2 3.45Å; Y182-E216 PolarHBondContact OH-OE1 3.31Å; Y182-E216 VanDerWaalsContact OH-OE1 3.06Å; Y182-E216 PolarHBondContact OH-OE2 3.1Å; Y182-W326 HydrophobicContact CD1-CZ2 4.16Å; Y182-W326 HydrophobicContact CE1-CZ2 4.38Å; Y182-L335 HydrophobicContact CD1-CD2 4.14Å; Y182-L335 HydrophobicContact CE1-CD2 4Å; Y182-L344 HydrophobicContact CD1-CD1 4.02Å; Y182-L344 HydrophobicContact CD2-CD1 4.15Å; Y182-L344 HydrophobicContact CE1-CD1 3.87Å; Y182-L344 HydrophobicContact CE2-CD1 4.03Å; Y182-L344 HydrophobicContact CG-CD1 4.14Å |
| 183 | G | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.6 | -29.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P179 G181 A185 L186 N187 T188 G324 | P179-G183 WeakPolarHBondContact O-CA 3.38Å; P179-G183 PolarHBondContact O-N 3.31Å; G181-G183 PolarHBondContact O-N 2.74Å; G183-A185 VanDerWaalsContact C-N 3.31Å; G183-A185 PolarHBondContact O-N 3.47Å; G183-L186 PolarHBondContact O-N 2.85Å; G183-N187 WeakPolarHBondContact O-CA 3.34Å; G183-N187 VanDerWaalsContact O-CB 3.28Å; G183-N187 WeakPolarHBondContact O-CB 3.2Å; G183-N187 PolarHBondContact O-N 3.04Å; G183-T188 PolarHBondContact O-N 3.32Å; G183-G324 CarbonylContact C-O 3.57Å; G183-G324 VanDerWaalsContact CA-O 3.29Å; G183-G324 WeakPolarHBondContact CA-O 3.19Å |
| 184 | A | 97.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -61 | -43.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T180 G181 Y182 T188 A189 F270 L296 A321 | T180-A184 VanDerWaalsContact O-CB 3.26Å; T180-A184 WeakPolarHBondContact O-CB 3.48Å; T180-A184 PolarHBondContact O-N 3.43Å; G181-A184 WeakPolarHBondContact O-CB 3.48Å; G181-A184 PolarHBondContact O-N 3.03Å; Y182-A184 VanDerWaalsContact C-N 3.33Å; Y182-A184 PolarHBondContact O-N 3.26Å; A184-T188 WeakPolarHBondContact O-CB 3.4Å; A184-T188 PolarHBondContact O-N 3.04Å; A184-A189 PolarHBondContact O-N 2.76Å; A184-F270 HydrophobicContact CB-CD1 4.22Å; A184-F270 HydrophobicContact CB-CE1 4.02Å; A184-L296 HydrophobicContact CB-CD1 3.51Å; A184-L296 HydrophobicContact CB-CD2 3.52Å; A184-L296 HydrophobicContact CB-CG 4.09Å; A184-A321 HydrophobicContact CB-CB 4.48Å |
| 185 | A | 96.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -67.3 | -46.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G181 Y182 G183 I192 F270 | G181-A185 PolarHBondContact O-N 3.42Å; Y182-A185 PolarHBondContact O-N 3.39Å; G183-A185 VanDerWaalsContact C-N 3.31Å; G183-A185 PolarHBondContact O-N 3.47Å; A185-I192 HydrophobicContact CB-CD1 3.83Å; A185-F270 HydrophobicContact CB-CZ 4.38Å |
| 186 | L | 95.8 | Very high | 92 | Very high | 19 Ų | 19 | 29.9 Ų | 29.9 | 10% | 0.099 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -77.1 | -43 | -174.8 | -64 | -168.7 | 0 | 0 | 0 | 114.5 | Y182 G183 N190 R217 W326 | Y182-L186 HydrophobicContact CD1-CD1 3.98Å; Y182-L186 HydrophobicContact CD2-CD1 4.35Å; Y182-L186 HydrophobicContact CE1-CD1 3.45Å; Y182-L186 VanDerWaalsContact CE1-CD1 3.45Å; Y182-L186 HydrophobicContact CE1-CG 4.49Å; Y182-L186 HydrophobicContact CE2-CD1 3.85Å; Y182-L186 HydrophobicContact CE2-CG 4.34Å; Y182-L186 HydrophobicContact CG-CD1 4.41Å; Y182-L186 WeakPolarHBondContact O-CG 3.49Å; Y182-L186 PolarHBondContact O-N 3.45Å; G183-L186 PolarHBondContact O-N 2.85Å; L186-N190 WeakPolarHBondContact O-CA 3.47Å; L186-R217 HydrophobicContact CD2-CG 3.49Å; L186-R217 VanDerWaalsContact CD2-CG 3.49Å; L186-W326 HydrophobicContact CD1-CH2 4.43Å; L186-W326 HydrophobicContact CD1-CZ2 4.31Å |
| 187 | N | 95.3 | Very high | 92 | Very high | 57 Ų | 57 | 30.6 Ų | 30.6 | 31% | 0.305 | 17% | 0.165 | S | C | . | . | I | π-helix | trans | -109.5 | -33.1 | -167.5 | -52.4 | -41.9 | 0 | 0 | 0 | 113.5 | G183 N190 G324 W326 | G183-N187 WeakPolarHBondContact O-CA 3.34Å; G183-N187 VanDerWaalsContact O-CB 3.28Å; G183-N187 WeakPolarHBondContact O-CB 3.2Å; G183-N187 PolarHBondContact O-N 3.04Å; N187-N190 WeakPolarHBondContact O-CB 3.19Å; N187-G324 WeakPolarHBondContact CB-O 3.39Å; N187-G324 PolarHBondContact ND2-O 2.89Å; N187-W326 VanDerWaalsContact ND2-CE3 3.33Å; N187-W326 WeakPolarHBondContact ND2-CH2 3.32Å; N187-W326 WeakPolarHBondContact ND2-CZ2 3.39Å; N187-W326 WeakPolarHBondContact ND2-CZ3 3.45Å |
| 188 | T | 91 | Very high | 92 | Very high | 23 Ų | 23 | 30.5 Ų | 30.5 | 14% | 0.141 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -94.8 | -47.8 | -171.3 | -54.2 | 0 | 0 | 0 | 0 | 112.4 | G183 A184 N190 V294 K319 A321 | G183-T188 PolarHBondContact O-N 3.32Å; A184-T188 WeakPolarHBondContact O-CB 3.4Å; A184-T188 PolarHBondContact O-N 3.04Å; T188-N190 VanDerWaalsContact C-N 3.28Å; T188-V294 HydrophobicContact CG2-CG1 4.03Å; T188-K319 HydrophobicContact CG2-CD 3.96Å; T188-K319 HydrophobicContact CG2-CG 4.42Å; T188-K319 PolarHBondContact O-NZ 3.02Å; T188-A321 HydrophobicContact CG2-CB 3.79Å; T188-A321 WeakPolarHBondContact OG1-CB 3.28Å |
| 189 | A | 87.4 | Confident | 92.1 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -61.9 | -44.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | A184 V191 I192 Y268 F270 V294 | A184-A189 PolarHBondContact O-N 2.76Å; A189-V191 WeakPolarHBondContact O-CG2 3.29Å; A189-V191 PolarHBondContact O-N 3.22Å; A189-I192 HydrophobicContact CB-CD1 4.34Å; A189-I192 HydrophobicContact CB-CG1 3.99Å; A189-Y268 HydrophobicContact CB-CD1 3.87Å; A189-Y268 HydrophobicContact CB-CE1 4.27Å; A189-F270 HydrophobicContact CB-CE1 4.29Å; A189-F270 HydrophobicContact CB-CZ 3.8Å; A189-V294 HydrophobicContact CB-CG2 4.49Å |
| 190 | N | 74.9 | Confident | 92.1 | Very high | 98 Ų | 98 | 30.5 Ų | 30.5 | 52% | 0.524 | 16% | 0.164 | S | C | . | . | trans | 62.3 | -20.7 | 173.5 | -161.9 | 31.5 | 0 | 0 | 0 | 115.7 | L186 N187 T188 R217 | L186-N190 WeakPolarHBondContact O-CA 3.47Å; N187-N190 WeakPolarHBondContact O-CB 3.19Å; T188-N190 VanDerWaalsContact C-N 3.28Å; N190-R217 PolarHBondContact O-NH2 3.15Å; N190-R217 VanDerWaalsContact O-NH2 3.07Å | ||
| 191 | V | 69.9 | Low | 92.1 | Very high | 63 Ų | 63 | 30.1 Ų | 30.1 | 38% | 0.382 | 16% | 0.161 | S | C | . | . | trans | -122.4 | 13.3 | -172.6 | -72.8 | 0 | 0 | 0 | 0 | 112.7 | A189 E193 Y268 | A189-V191 WeakPolarHBondContact O-CG2 3.29Å; A189-V191 PolarHBondContact O-N 3.22Å; V191-E193 WeakPolarHBondContact O-CG 3.2Å; V191-E193 PolarHBondContact O-N 3.01Å; V191-Y268 WeakPolarHBondContact CB-OH 3.4Å; V191-Y268 HydrophobicContact CG2-CE1 3.71Å; V191-Y268 WeakPolarHBondContact CG2-OH 3.34Å; V191-Y268 PolarHBondContact O-OH 2.95Å | ||
| 192 | I | 76.3 | Confident | 92 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | trans | -52.8 | 109.2 | 169.7 | -57.8 | 176.9 | 0 | 0 | 0 | 107.7 | A185 A189 V198 A214 R217 A219 Y268 F270 | A185-I192 HydrophobicContact CB-CD1 3.83Å; A189-I192 HydrophobicContact CB-CD1 4.34Å; A189-I192 HydrophobicContact CB-CG1 3.99Å; I192-V198 HydrophobicContact CD1-CG2 4.4Å; I192-V198 HydrophobicContact CG2-CG2 4.35Å; I192-A214 HydrophobicContact CD1-CB 4.33Å; I192-R217 HydrophobicContact CB-CB 3.68Å; I192-R217 HydrophobicContact CB-CG 4.04Å; I192-R217 HydrophobicContact CG2-CB 3.57Å; I192-R217 HydrophobicContact CG2-CG 4.44Å; I192-R217 PolarHBondContact O-NE 2.82Å; I192-R217 PolarHBondContact O-NH2 3.01Å; I192-A219 HydrophobicContact CG2-CB 4.16Å; I192-Y268 HydrophobicContact CB-CD2 4.28Å; I192-Y268 HydrophobicContact CB-CE2 4.22Å; I192-Y268 HydrophobicContact CG1-CD1 4.21Å; I192-Y268 HydrophobicContact CG1-CD2 3.71Å; I192-Y268 HydrophobicContact CG1-CE2 4.02Å; I192-Y268 HydrophobicContact CG1-CG 3.84Å; I192-Y268 HydrophobicContact CG2-CD2 4.42Å; I192-F270 HydrophobicContact CD1-CE2 4.2Å; I192-F270 HydrophobicContact CD1-CZ 4.03Å | ||
| 193 | E | 84.4 | Confident | 91.9 | Very high | 101 Ų | 101 | 30.3 Ų | 30.3 | 47% | 0.472 | 16% | 0.164 | S | C | . | . | trans | -90.6 | 157.8 | -176.5 | -63.9 | 100.7 | 168.5 | 0 | 0 | 108.5 | V191 G195 S196 Y268 | V191-E193 WeakPolarHBondContact O-CG 3.2Å; V191-E193 PolarHBondContact O-N 3.01Å; E193-G195 PolarHBondContact O-N 3.1Å; E193-G195 VanDerWaalsContact O-N 3.14Å; E193-S196 PolarHBondContact N-OG 3.32Å; E193-S196 WeakPolarHBondContact O-CB 3.18Å; E193-S196 PolarHBondContact O-N 2.97Å; E193-S196 PolarHBondContact O-OG 3.06Å; E193-S196 PolarHBondContact OE2-OG 2.82Å; E193-Y268 PolarHBondContact OE2-OH 2.65Å | ||
| 194 | K | 90.8 | Very high | 91.8 | Very high | 194 Ų | 194 | 31.9 Ų | 31.9 | 84% | 0.843 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 124.8 | 171 | -174.1 | 179.2 | 179.8 | 179.6 | 0 | 108.7 | G218 | K194-G218 WeakPolarHBondContact CA-O 3.28Š|
| 195 | G | 92.3 | Very high | 91.7 | Very high | 39 Ų | 39 | 34 Ų | 34 | 40% | 0.402 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | 2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | E193 G218 S220 | E193-G195 PolarHBondContact O-N 3.1Å; E193-G195 VanDerWaalsContact O-N 3.14Å; G195-G218 PolarHBondContact N-O 3.07Å; G195-S220 VanDerWaalsContact C-OG 3.31Å; G195-S220 WeakPolarHBondContact CA-OG 3.35Å; G195-S220 PolarHBondContact O-OG 2.7Å |
| 196 | S | 96.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | trans | -66.3 | 154.3 | 173.7 | -60.6 | 0 | 0 | 0 | 0 | 112.2 | E193 A219 S220 D267 | E193-S196 PolarHBondContact N-OG 3.32Å; E193-S196 WeakPolarHBondContact O-CB 3.18Å; E193-S196 PolarHBondContact O-N 2.97Å; E193-S196 PolarHBondContact O-OG 3.06Å; E193-S196 PolarHBondContact OE2-OG 2.82Å; S196-A219 CarbonylContact O-C 3.44Å; S196-A219 VanDerWaalsContact O-CA 3.32Å; S196-A219 WeakPolarHBondContact O-CA 3.33Å; S196-A219 WeakPolarHBondContact O-CB 3.38Å; S196-S220 PolarHBondContact O-N 2.92Å; S196-D267 VanDerWaalsContact CA-OD2 3.26Å; S196-D267 WeakPolarHBondContact CA-OD2 3.47Å | ||
| 197 | T | 97.9 | Very high | 91.8 | Very high | 25 Ų | 25 | 34.9 Ų | 34.9 | 15% | 0.153 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 133.2 | 171.9 | 60.7 | 0 | 0 | 0 | 0 | 110.3 | M221 F266 D267 Y268 | T197-M221 CarbonylContact C-O 3.57Å; T197-M221 WeakPolarHBondContact CA-O 3.42Å; T197-M221 HydrophobicContact CG2-CB 4.05Å; T197-M221 HydrophobicContact CG2-SD 4.48Å; T197-F266 WeakPolarHBondContact OG1-CA 3.22Å; T197-D267 PolarHBondContact N-OD2 2.83Å; T197-D267 PolarHBondContact O-N 2.92Å; T197-D267 VanDerWaalsContact O-N 3.11Å; T197-D267 PolarHBondContact OG1-N 3.24Å; T197-D267 PolarHBondContact OG1-OD2 3.37Å; T197-D267 VanDerWaalsContact OG1-OD2 3.05Å; T197-Y268 PolarHBondContact O-N 2.89Å; T197-Y268 VanDerWaalsContact O-N 3.11Å |
| 198 | V | 98.5 | Very high | 92 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 134.7 | -175.1 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | I192 V200 A214 A219 M221 I222 V223 Y268 F270 | I192-V198 HydrophobicContact CD1-CG2 4.4Å; I192-V198 HydrophobicContact CG2-CG2 4.35Å; V198-V200 HydrophobicContact CG1-CG2 3.98Å; V198-A214 HydrophobicContact CB-CB 4.43Å; V198-A214 HydrophobicContact CG1-CB 4.27Å; V198-A214 HydrophobicContact CG2-CB 4.12Å; V198-A219 HydrophobicContact CG2-CB 3.83Å; V198-M221 PolarHBondContact N-O 3.16Å; V198-I222 HydrophobicContact CB-CG1 4.49Å; V198-I222 CarbonylContact O-C 3.55Å; V198-I222 WeakPolarHBondContact O-CA 3.38Å; V198-V223 PolarHBondContact O-N 3.05Å; V198-Y268 VanDerWaalsContact CA-O 3.28Å; V198-Y268 WeakPolarHBondContact CA-O 3.15Å; V198-Y268 HydrophobicContact CG2-CD2 4.48Å; V198-F270 HydrophobicContact CG1-CD2 3.77Å; V198-F270 HydrophobicContact CG1-CE2 3.71Å |
| 199 | A | 98.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 137.7 | 168 | 0 | 0 | 0 | 0 | 0 | 112.1 | W201 V223 I225 F266 Y268 T269 F270 | A199-W201 HydrophobicContact CB-CE3 4.38Å; A199-W201 HydrophobicContact CB-CH2 3.99Å; A199-W201 HydrophobicContact CB-CZ3 3.55Å; A199-V223 CarbonylContact C-O 3.51Å; A199-V223 WeakPolarHBondContact CA-O 3.31Å; A199-V223 HydrophobicContact CB-CB 4.37Å; A199-I225 HydrophobicContact CB-CD1 4.09Å; A199-F266 HydrophobicContact CB-CB 4.46Å; A199-F266 HydrophobicContact CB-CD1 3.84Å; A199-F266 HydrophobicContact CB-CD2 3.53Å; A199-F266 HydrophobicContact CB-CE1 3.93Å; A199-F266 HydrophobicContact CB-CE2 3.59Å; A199-F266 HydrophobicContact CB-CG 3.66Å; A199-F266 HydrophobicContact CB-CZ 3.81Å; A199-Y268 PolarHBondContact N-O 3.08Å; A199-T269 HydrophobicContact CB-CG2 4.2Å; A199-T269 CarbonylContact O-C 3.58Å; A199-T269 VanDerWaalsContact O-CA 3.3Å; A199-T269 WeakPolarHBondContact O-CA 3.26Å; A199-F270 PolarHBondContact O-N 2.87Å |
| 200 | V | 98.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 112 | -174.5 | -173.1 | 0 | 0 | 0 | 0 | 109.9 | V198 V210 I211 V223 I225 F270 | V198-V200 HydrophobicContact CG1-CG2 3.98Å; V200-V210 HydrophobicContact CG1-CB 4.23Å; V200-V210 HydrophobicContact CG1-CG1 4.28Å; V200-V210 HydrophobicContact CG2-CB 4.33Å; V200-V210 HydrophobicContact CG2-CG1 3.63Å; V200-I211 HydrophobicContact CB-CG1 4.39Å; V200-I211 HydrophobicContact CG2-CG1 4.04Å; V200-V223 PolarHBondContact N-O 3.34Å; V200-I225 PolarHBondContact O-N 3.14Å; V200-F270 WeakPolarHBondContact CA-O 3.5Å; V200-F270 HydrophobicContact CG1-CB 4.42Å; V200-F270 HydrophobicContact CG2-CB 4.48Å; V200-F270 HydrophobicContact CG2-CD2 4.39Å |
| 201 | W | 98.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 2% | 0.019 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 124.3 | 173 | -78.7 | -102 | 0 | 0 | 0 | 110.3 | A199 I225 L258 T269 F270 E271 C272 I273 C278 L281 A282 C285 | A199-W201 HydrophobicContact CB-CE3 4.38Å; A199-W201 HydrophobicContact CB-CH2 3.99Å; A199-W201 HydrophobicContact CB-CZ3 3.55Å; W201-I225 HydrophobicContact CD2-CD1 3.69Å; W201-I225 VanDerWaalsContact CE2-CD1 3.43Å; W201-I225 HydrophobicContact CE3-CD1 3.92Å; W201-I225 HydrophobicContact CG-CB 4.32Å; W201-I225 HydrophobicContact CG-CD1 4.36Å; W201-I225 HydrophobicContact CG-CG2 4.43Å; W201-I225 HydrophobicContact CH2-CD1 3.65Å; W201-I225 HydrophobicContact CZ2-CD1 3.45Å; W201-I225 VanDerWaalsContact CZ2-CD1 3.45Å; W201-I225 HydrophobicContact CZ3-CD1 3.87Å; W201-L258 HydrophobicContact CH2-CD1 4.13Å; W201-L258 HydrophobicContact CZ2-CD1 3.61Å; W201-T269 HydrophobicContact CH2-CG2 4.29Å; W201-T269 HydrophobicContact CZ3-CG2 3.83Å; W201-F270 PolarHBondContact N-O 3.01Å; W201-E271 HydrophobicContact CB-CG 4.39Å; W201-C272 WeakPolarHBondContact O-CA 3.25Å; W201-C272 VanDerWaalsContact O-CB 3.22Å; W201-C272 WeakPolarHBondContact O-CB 3.32Å; W201-C272 PolarHBondContact O-N 3.4Å; W201-I273 HydrophobicContact CB-CD1 4Å; W201-C278 HydrophobicContact CG-CB 4.44Å; W201-L281 HydrophobicContact CZ2-CD2 4.29Å; W201-L281 HydrophobicContact CZ2-CG 4.08Å; W201-A282 HydrophobicContact CD2-CB 4.13Å; W201-A282 HydrophobicContact CE3-CB 3.68Å; W201-A282 HydrophobicContact CH2-CB 4.11Å; W201-A282 HydrophobicContact CZ2-CB 4.47Å; W201-A282 HydrophobicContact CZ3-CB 3.69Å; W201-C285 HydrophobicContact CH2-CB 4.01Å |
| 202 | G | 96.9 | Very high | 95.2 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 5% | 0.052 | 14% | 0.142 | C | C | . | . | trans | 87.1 | 110.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G204 G207 I225 | G202-G204 VanDerWaalsContact C-N 3.33Å; G202-G204 PolarHBondContact O-N 2.98Å; G202-G207 WeakPolarHBondContact O-CA 3.06Å; G202-I225 PolarHBondContact N-O 3.1Å | ||
| 203 | V | 96.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | trans | -100.5 | 56.1 | -178.4 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | L208 A224 D226 K231 A235 F243 | V203-L208 HydrophobicContact CG1-CD2 3.51Å; V203-L208 HydrophobicContact CG1-CG 3.91Å; V203-A224 HydrophobicContact CG2-CB 3.78Å; V203-D226 HydrophobicContact CB-CB 4.07Å; V203-D226 HydrophobicContact CG2-CB 3.81Å; V203-D226 PolarHBondContact N-OD2 3.34Å; V203-K231 HydrophobicContact CB-CB 4.32Å; V203-K231 HydrophobicContact CB-CD 3.93Å; V203-K231 HydrophobicContact CG1-CB 4.14Å; V203-K231 HydrophobicContact CG1-CD 4.33Å; V203-K231 WeakPolarHBondContact O-CD 3.44Å; V203-K231 PolarHBondContact O-NZ 3.23Å; V203-A235 HydrophobicContact CG1-CB 3.94Å; V203-F243 HydrophobicContact CG2-CE2 4.23Å | ||
| 204 | G | 94.3 | Very high | 96.8 | Very high | 32 Ų | 32 | 19.7 Ų | 19.7 | 33% | 0.33 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -96.2 | -168.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G202 V206 G207 L208 | G202-G204 VanDerWaalsContact C-N 3.33Å; G202-G204 PolarHBondContact O-N 2.98Å; G204-V206 VanDerWaalsContact C-N 3.28Å; G204-V206 PolarHBondContact O-N 3.26Å; G204-G207 PolarHBondContact O-N 3.42Å; G204-G207 VanDerWaalsContact O-N 3.15Å; G204-L208 WeakPolarHBondContact O-CB 3.39Å; G204-L208 WeakPolarHBondContact O-CG 3.46Å; G204-L208 PolarHBondContact O-N 2.68Å |
| 205 | C | 95.6 | Very high | 97.1 | Very high | 46 Ų | 46 | 13.8 Ų | 13.8 | 31% | 0.311 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -49.6 | -47.5 | 176.9 | 177.6 | 0 | 0 | 0 | 0 | 112.7 | S209 F349 | C205-S209 VanDerWaalsContact O-CB 3.32Å; C205-S209 WeakPolarHBondContact O-CB 3.47Å; C205-S209 PolarHBondContact O-N 3.43Å; C205-S209 PolarHBondContact O-OG 2.96Å; C205-F349 HydrophobicContact CB-CD1 4.17Å; C205-F349 HydrophobicContact CB-CE1 4.4Å; C205-F349 WeakPolarHBondContact O-CE1 3.37Å |
| 206 | V | 97.4 | Very high | 97.3 | Very high | 36 Ų | 36 | 17 Ų | 17 | 22% | 0.218 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.8 | -49.5 | 178.8 | 179 | 0 | 0 | 0 | 0 | 111.6 | T180 G181 G204 S209 V210 C272 L296 | T180-V206 HydrophobicContact CG2-CG1 4.18Å; G181-V206 WeakPolarHBondContact CA-O 3.4Å; G204-V206 VanDerWaalsContact C-N 3.28Å; G204-V206 PolarHBondContact O-N 3.26Å; V206-S209 WeakPolarHBondContact O-CB 3.37Å; V206-S209 PolarHBondContact O-N 3.49Å; V206-S209 VanDerWaalsContact O-N 3.16Å; V206-V210 WeakPolarHBondContact O-CG2 3.47Å; V206-V210 PolarHBondContact O-N 3.34Å; V206-C272 HydrophobicContact CB-CB 4.3Å; V206-C272 HydrophobicContact CG1-CB 4.04Å; V206-L296 HydrophobicContact CG1-CB 4.1Å; V206-L296 HydrophobicContact CG1-CD1 3.82Å |
| 207 | G | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.3 | -41.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G202 G204 S209 V210 I211 | G202-G207 WeakPolarHBondContact O-CA 3.06Å; G204-G207 PolarHBondContact O-N 3.42Å; G204-G207 VanDerWaalsContact O-N 3.15Å; G207-S209 PolarHBondContact O-N 3.15Å; G207-V210 WeakPolarHBondContact O-CB 3.38Å; G207-V210 PolarHBondContact O-N 2.91Å; G207-V210 VanDerWaalsContact O-N 3.13Å; G207-I211 WeakPolarHBondContact O-CG1 3.44Å; G207-I211 PolarHBondContact O-N 3.48Å |
| 208 | L | 98 | Very high | 97.1 | Very high | 8 Ų | 8 | 21.2 Ų | 21.2 | 4% | 0.042 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.7 | -34.9 | 172.4 | -70.1 | 170 | 0 | 0 | 0 | 111.6 | V203 G204 I211 M212 L234 F238 F349 | V203-L208 HydrophobicContact CG1-CD2 3.51Å; V203-L208 HydrophobicContact CG1-CG 3.91Å; G204-L208 WeakPolarHBondContact O-CB 3.39Å; G204-L208 WeakPolarHBondContact O-CG 3.46Å; G204-L208 PolarHBondContact O-N 2.68Å; L208-I211 HydrophobicContact CD2-CD1 4.39Å; L208-I211 PolarHBondContact O-N 3.33Å; L208-M212 PolarHBondContact O-N 2.9Å; L208-L234 HydrophobicContact CD1-CD2 3.6Å; L208-L234 HydrophobicContact CD1-CG 3.85Å; L208-L234 HydrophobicContact CD2-CG 4.16Å; L208-F238 HydrophobicContact CB-CD1 4.13Å; L208-F238 HydrophobicContact CB-CD2 4.37Å; L208-F238 HydrophobicContact CB-CE1 4.4Å; L208-F238 HydrophobicContact CB-CG 4.1Å; L208-F238 HydrophobicContact CD1-CD2 4.31Å; L208-F238 HydrophobicContact CD1-CE2 4.18Å; L208-F238 HydrophobicContact CD2-CB 3.95Å; L208-F238 HydrophobicContact CD2-CD2 3.72Å; L208-F238 HydrophobicContact CD2-CE2 4.41Å; L208-F238 HydrophobicContact CD2-CG 3.87Å; L208-F238 HydrophobicContact CG-CD2 4.36Å; L208-F238 HydrophobicContact CG-CG 4.47Å; L208-F349 HydrophobicContact CB-CE1 3.74Å; L208-F349 HydrophobicContact CB-CZ 4.12Å; L208-F349 HydrophobicContact CD1-CE1 4.27Å |
| 209 | S | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -71.5 | -34.4 | 175.1 | -57.8 | 0 | 0 | 0 | 0 | 112.7 | I178 Y182 C205 V206 G207 M212 G213 F349 | I178-S209 WeakPolarHBondContact CA-OG 3.42Å; I178-S209 WeakPolarHBondContact O-CB 3.19Å; Y182-S209 WeakPolarHBondContact CA-O 3.49Å; Y182-S209 PolarHBondContact N-O 3.25Å; C205-S209 VanDerWaalsContact O-CB 3.32Å; C205-S209 WeakPolarHBondContact O-CB 3.47Å; C205-S209 PolarHBondContact O-N 3.43Å; C205-S209 PolarHBondContact O-OG 2.96Å; V206-S209 WeakPolarHBondContact O-CB 3.37Å; V206-S209 PolarHBondContact O-N 3.49Å; V206-S209 VanDerWaalsContact O-N 3.16Å; G207-S209 PolarHBondContact O-N 3.15Å; S209-M212 PolarHBondContact O-N 3.3Å; S209-G213 PolarHBondContact O-N 3.41Å; S209-F349 VanDerWaalsContact OG-CZ 3.24Å; S209-F349 WeakPolarHBondContact OG-CZ 3.49Å |
| 210 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.8 | -47.1 | 168.9 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | G181 V200 V206 G207 M212 G213 A214 F270 L296 | G181-V210 WeakPolarHBondContact O-CA 3.4Å; G181-V210 WeakPolarHBondContact O-CG2 3.41Å; V200-V210 HydrophobicContact CG1-CB 4.23Å; V200-V210 HydrophobicContact CG1-CG1 4.28Å; V200-V210 HydrophobicContact CG2-CB 4.33Å; V200-V210 HydrophobicContact CG2-CG1 3.63Å; V206-V210 WeakPolarHBondContact O-CG2 3.47Å; V206-V210 PolarHBondContact O-N 3.34Å; G207-V210 WeakPolarHBondContact O-CB 3.38Å; G207-V210 PolarHBondContact O-N 2.91Å; G207-V210 VanDerWaalsContact O-N 3.13Å; V210-M212 VanDerWaalsContact C-N 3.31Å; V210-M212 PolarHBondContact O-N 3.09Å; V210-G213 PolarHBondContact O-N 3.48Å; V210-G213 VanDerWaalsContact O-N 3.15Å; V210-A214 WeakPolarHBondContact O-CB 3.45Å; V210-A214 PolarHBondContact O-N 3.4Å; V210-F270 HydrophobicContact CB-CG 4.47Å; V210-F270 HydrophobicContact CG1-CB 3.85Å; V210-F270 HydrophobicContact CG1-CD1 3.81Å; V210-F270 HydrophobicContact CG1-CD2 3.41Å; V210-F270 VanDerWaalsContact CG1-CD2 3.41Å; V210-F270 HydrophobicContact CG1-CE1 4.21Å; V210-F270 HydrophobicContact CG1-CE2 3.84Å; V210-F270 HydrophobicContact CG1-CG 3.4Å; V210-F270 VanDerWaalsContact CG1-CG 3.4Å; V210-F270 HydrophobicContact CG1-CZ 4.22Å; V210-F270 HydrophobicContact CG2-CB 4.28Å; V210-F270 HydrophobicContact CG2-CD1 4.1Å; V210-F270 HydrophobicContact CG2-CG 4.23Å; V210-L296 HydrophobicContact CG2-CD1 3.54Å |
| 211 | I | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.6 | -47.9 | 178 | -68.5 | 164.9 | 0 | 0 | 0 | 109.8 | V200 G207 L208 G213 A214 V215 I222 A224 F238 A240 | V200-I211 HydrophobicContact CB-CG1 4.39Å; V200-I211 HydrophobicContact CG2-CG1 4.04Å; G207-I211 WeakPolarHBondContact O-CG1 3.44Å; G207-I211 PolarHBondContact O-N 3.48Å; L208-I211 HydrophobicContact CD2-CD1 4.39Å; L208-I211 PolarHBondContact O-N 3.33Å; I211-G213 VanDerWaalsContact C-N 3.35Å; I211-G213 PolarHBondContact O-N 2.93Å; I211-A214 PolarHBondContact O-N 3.24Å; I211-A214 VanDerWaalsContact O-N 3.16Å; I211-V215 WeakPolarHBondContact O-CG2 3.44Å; I211-V215 PolarHBondContact O-N 3.07Å; I211-I222 HydrophobicContact CB-CG2 4.4Å; I211-I222 HydrophobicContact CG1-CG2 3.95Å; I211-I222 HydrophobicContact CG2-CG2 4.12Å; I211-A224 HydrophobicContact CD1-CB 4.11Å; I211-F238 HydrophobicContact CG2-CB 4.07Å; I211-F238 WeakPolarHBondContact CG2-O 3.4Å; I211-A240 HydrophobicContact CD1-CB 4.26Å; I211-A240 HydrophobicContact CG2-CB 4.43Å |
| 212 | M | 97 | Very high | 96.8 | Very high | 18 Ų | 18 | 27.1 Ų | 27.1 | 9% | 0.089 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.7 | -45.4 | 176.1 | -177.1 | 172 | 57.2 | 0 | 0 | 112.4 | I178 Y182 L208 S209 V210 A214 V215 E216 F238 L344 K345 | I178-M212 HydrophobicContact CG2-CE 4.19Å; Y182-M212 HydrophobicContact CD2-CE 4Å; Y182-M212 HydrophobicContact CD2-CG 4.37Å; Y182-M212 HydrophobicContact CE2-CG 4.47Å; Y182-M212 HydrophobicContact CG-CE 4.39Å; L208-M212 PolarHBondContact O-N 2.9Å; S209-M212 PolarHBondContact O-N 3.3Å; V210-M212 VanDerWaalsContact C-N 3.31Å; V210-M212 PolarHBondContact O-N 3.09Å; M212-A214 PolarHBondContact O-N 3.38Å; M212-V215 PolarHBondContact O-N 3.49Å; M212-E216 PolarHBondContact O-N 2.97Å; M212-E216 VanDerWaalsContact O-N 3.09Å; M212-F238 HydrophobicContact CB-CD1 4.44Å; M212-L344 HydrophobicContact CE-CD1 3.32Å; M212-L344 HydrophobicContact CE-CG 4.3Å; M212-L344 HydrophobicContact SD-CD1 3.94Å; M212-K345 HydrophobicContact SD-CB 3.63Å; M212-K345 HydrophobicContact SD-CD 4.23Å; M212-K345 HydrophobicContact SD-CG 4.08Å |
| 213 | G | 97 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.7 | -35.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S209 V210 I211 E216 R217 | S209-G213 PolarHBondContact O-N 3.41Å; V210-G213 PolarHBondContact O-N 3.48Å; V210-G213 VanDerWaalsContact O-N 3.15Å; I211-G213 VanDerWaalsContact C-N 3.35Å; I211-G213 PolarHBondContact O-N 2.93Å; G213-E216 PolarHBondContact O-N 2.92Å; G213-R217 VanDerWaalsContact O-CG 3.31Å; G213-R217 WeakPolarHBondContact O-CG 3.37Å; G213-R217 PolarHBondContact O-N 3.4Å; G213-R217 VanDerWaalsContact O-N 3.1Å |
| 214 | A | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.1 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I192 V198 V210 I211 M212 R217 G218 A219 I222 | I192-A214 HydrophobicContact CD1-CB 4.33Å; V198-A214 HydrophobicContact CB-CB 4.43Å; V198-A214 HydrophobicContact CG1-CB 4.27Å; V198-A214 HydrophobicContact CG2-CB 4.12Å; V210-A214 WeakPolarHBondContact O-CB 3.45Å; V210-A214 PolarHBondContact O-N 3.4Å; I211-A214 PolarHBondContact O-N 3.24Å; I211-A214 VanDerWaalsContact O-N 3.16Å; M212-A214 PolarHBondContact O-N 3.38Å; A214-R217 PolarHBondContact O-N 3.06Å; A214-G218 PolarHBondContact O-N 3.13Å; A214-A219 HydrophobicContact CB-CB 4.21Å; A214-A219 WeakPolarHBondContact O-CB 3.41Å; A214-A219 PolarHBondContact O-N 2.94Å; A214-I222 HydrophobicContact CB-CD1 3.87Å; A214-I222 HydrophobicContact CB-CG1 4.21Å |
| 215 | V | 96.5 | Very high | 97.2 | Very high | 70 Ų | 70 | 25.4 Ų | 25.4 | 42% | 0.424 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -59.9 | -47.3 | 172.7 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | I211 M212 R217 G218 I222 | I211-V215 WeakPolarHBondContact O-CG2 3.44Å; I211-V215 PolarHBondContact O-N 3.07Å; M212-V215 PolarHBondContact O-N 3.49Å; V215-R217 PolarHBondContact O-N 3.16Å; V215-G218 WeakPolarHBondContact O-CA 3.24Å; V215-G218 PolarHBondContact O-N 3.36Å; V215-I222 HydrophobicContact CB-CD1 4.43Å; V215-I222 HydrophobicContact CG2-CD1 3.5Å; V215-I222 VanDerWaalsContact CG2-CD1 3.5Å |
| 216 | E | 95.3 | Very high | 97.3 | Very high | 107 Ų | 107 | 24 Ų | 24 | 50% | 0.5 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -61.2 | -34.7 | 179.7 | -178.1 | 167.4 | 150.4 | 0 | 0 | 112.7 | Y182 M212 G213 G218 | Y182-E216 WeakPolarHBondContact CE2-OE2 3.45Å; Y182-E216 PolarHBondContact OH-OE1 3.31Å; Y182-E216 VanDerWaalsContact OH-OE1 3.06Å; Y182-E216 PolarHBondContact OH-OE2 3.1Å; M212-E216 PolarHBondContact O-N 2.97Å; M212-E216 VanDerWaalsContact O-N 3.09Å; G213-E216 PolarHBondContact O-N 2.92Å; E216-G218 PolarHBondContact O-N 3.2Å |
| 217 | R | 95 | Very high | 97.2 | Very high | 87 Ų | 87 | 26.6 Ų | 26.6 | 33% | 0.328 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -7.6 | 174.3 | -67.4 | -64.4 | -59.1 | -151.2 | -11.7 | 113.9 | L186 N190 I192 G213 A214 V215 | L186-R217 HydrophobicContact CD2-CG 3.49Å; L186-R217 VanDerWaalsContact CD2-CG 3.49Å; N190-R217 PolarHBondContact O-NH2 3.15Å; N190-R217 VanDerWaalsContact O-NH2 3.07Å; I192-R217 HydrophobicContact CB-CB 3.68Å; I192-R217 HydrophobicContact CB-CG 4.04Å; I192-R217 HydrophobicContact CG2-CB 3.57Å; I192-R217 HydrophobicContact CG2-CG 4.44Å; I192-R217 PolarHBondContact O-NE 2.82Å; I192-R217 PolarHBondContact O-NH2 3.01Å; G213-R217 VanDerWaalsContact O-CG 3.31Å; G213-R217 WeakPolarHBondContact O-CG 3.37Å; G213-R217 PolarHBondContact O-N 3.4Å; G213-R217 VanDerWaalsContact O-N 3.1Å; A214-R217 PolarHBondContact O-N 3.06Å; V215-R217 PolarHBondContact O-N 3.16Å |
| 218 | G | 95.3 | Very high | 97 | Very high | 29 Ų | 29 | 28.8 Ų | 28.8 | 30% | 0.299 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 28.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K194 G195 A214 V215 E216 S220 | K194-G218 WeakPolarHBondContact CA-O 3.28Å; G195-G218 PolarHBondContact N-O 3.07Å; A214-G218 PolarHBondContact O-N 3.13Å; V215-G218 WeakPolarHBondContact O-CA 3.24Å; V215-G218 PolarHBondContact O-N 3.36Å; E216-G218 PolarHBondContact O-N 3.2Å; G218-S220 PolarHBondContact O-N 3.42Å |
| 219 | A | 97.1 | Very high | 96.8 | Very high | 16 Ų | 16 | 32.9 Ų | 32.9 | 13% | 0.132 | 19% | 0.185 | C | C | . | . | trans | -56.1 | 135.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | I192 S196 V198 A214 I222 | I192-A219 HydrophobicContact CG2-CB 4.16Å; S196-A219 CarbonylContact O-C 3.44Å; S196-A219 VanDerWaalsContact O-CA 3.32Å; S196-A219 WeakPolarHBondContact O-CA 3.33Å; S196-A219 WeakPolarHBondContact O-CB 3.38Å; V198-A219 HydrophobicContact CG2-CB 3.83Å; A214-A219 HydrophobicContact CB-CB 4.21Å; A214-A219 WeakPolarHBondContact O-CB 3.41Å; A214-A219 PolarHBondContact O-N 2.94Å; A219-I222 HydrophobicContact CB-CD1 4.16Å; A219-I222 HydrophobicContact CB-CG1 3.85Å | ||
| 220 | S | 95.5 | Very high | 96.6 | Very high | 77 Ų | 77 | 38.9 Ų | 38.9 | 54% | 0.538 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -89.4 | -28 | -178.6 | 52.3 | 0 | 0 | 0 | 0 | 113 | G195 S196 G218 | G195-S220 VanDerWaalsContact C-OG 3.31Å; G195-S220 WeakPolarHBondContact CA-OG 3.35Å; G195-S220 PolarHBondContact O-OG 2.7Å; S196-S220 PolarHBondContact O-N 2.92Å; G218-S220 PolarHBondContact O-N 3.42Å |
| 221 | M | 97.8 | Very high | 96.4 | Very high | 35 Ų | 35 | 41.2 Ų | 41.2 | 17% | 0.172 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 122.9 | 175.2 | -177.9 | -175.4 | -102.1 | 0 | 0 | 108.6 | T197 V198 V223 H242 F266 | T197-M221 CarbonylContact C-O 3.57Å; T197-M221 WeakPolarHBondContact CA-O 3.42Å; T197-M221 HydrophobicContact CG2-CB 4.05Å; T197-M221 HydrophobicContact CG2-SD 4.48Å; V198-M221 PolarHBondContact N-O 3.16Å; M221-V223 HydrophobicContact CG-CG2 3.92Å; M221-V223 HydrophobicContact SD-CG2 4.05Å; M221-H242 VanDerWaalsContact CE-CE1 3.45Å; M221-H242 WeakPolarHBondContact CE-CE1 3.29Å; M221-F266 HydrophobicContact SD-CE1 4.41Å |
| 222 | I | 98.5 | Very high | 96.2 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 112.1 | 174.3 | -53.9 | 169 | 0 | 0 | 0 | 107.5 | V198 I211 A214 V215 A219 T241 H242 | V198-I222 HydrophobicContact CB-CG1 4.49Å; V198-I222 CarbonylContact O-C 3.55Å; V198-I222 WeakPolarHBondContact O-CA 3.38Å; I211-I222 HydrophobicContact CB-CG2 4.4Å; I211-I222 HydrophobicContact CG1-CG2 3.95Å; I211-I222 HydrophobicContact CG2-CG2 4.12Å; A214-I222 HydrophobicContact CB-CD1 3.87Å; A214-I222 HydrophobicContact CB-CG1 4.21Å; V215-I222 HydrophobicContact CB-CD1 4.43Å; V215-I222 HydrophobicContact CG2-CD1 3.5Å; V215-I222 VanDerWaalsContact CG2-CD1 3.5Å; A219-I222 HydrophobicContact CB-CD1 4.16Å; A219-I222 HydrophobicContact CB-CG1 3.85Å; I222-T241 PolarHBondContact N-OG1 2.8Å; I222-T241 PolarHBondContact O-N 2.82Å; I222-T241 PolarHBondContact O-OG1 3.5Å; I222-H242 PolarHBondContact O-N 3.21Å; I222-H242 VanDerWaalsContact O-N 3.1Å |
| 223 | V | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 114.2 | -180 | -173.2 | 0 | 0 | 0 | 0 | 108.8 | V198 A199 V200 M221 I225 H242 V244 L258 M261 F266 | V198-V223 PolarHBondContact O-N 3.05Å; A199-V223 CarbonylContact C-O 3.51Å; A199-V223 WeakPolarHBondContact CA-O 3.31Å; A199-V223 HydrophobicContact CB-CB 4.37Å; V200-V223 PolarHBondContact N-O 3.34Å; M221-V223 HydrophobicContact CG-CG2 3.92Å; M221-V223 HydrophobicContact SD-CG2 4.05Å; V223-I225 HydrophobicContact CG1-CG1 4.12Å; V223-H242 HydrophobicContact CB-CB 4.46Å; V223-H242 HydrophobicContact CG1-CB 4.28Å; V223-H242 HydrophobicContact CG2-CB 4.08Å; V223-V244 HydrophobicContact CG1-CG2 3.87Å; V223-L258 HydrophobicContact CG1-CD2 4.34Å; V223-M261 HydrophobicContact CG2-CE 4.48Å; V223-F266 HydrophobicContact CB-CE1 4.1Å; V223-F266 HydrophobicContact CB-CZ 4.19Å; V223-F266 HydrophobicContact CG2-CE1 3.46Å; V223-F266 VanDerWaalsContact CG2-CE1 3.46Å; V223-F266 HydrophobicContact CG2-CZ 3.8Å |
| 224 | A | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 133.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110 | V203 I211 A235 A240 H242 F243 V244 | V203-A224 HydrophobicContact CG2-CB 3.78Å; I211-A224 HydrophobicContact CD1-CB 4.11Å; A224-A235 HydrophobicContact CB-CB 3.81Å; A224-A240 HydrophobicContact CB-CB 3.83Å; A224-H242 PolarHBondContact N-O 2.98Å; A224-F243 HydrophobicContact CB-CD2 3.79Å; A224-F243 HydrophobicContact CB-CE2 4.38Å; A224-F243 CarbonylContact O-C 3.53Å; A224-F243 VanDerWaalsContact O-CA 3.23Å; A224-F243 WeakPolarHBondContact O-CA 3.45Å; A224-V244 PolarHBondContact O-N 3.29Å |
| 225 | I | 98.5 | Very high | 96 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 111.5 | -176.3 | -54.6 | 164.4 | 0 | 0 | 0 | 108.5 | A199 V200 W201 G202 V223 V244 P246 L258 | A199-I225 HydrophobicContact CB-CD1 4.09Å; V200-I225 PolarHBondContact O-N 3.14Å; W201-I225 HydrophobicContact CD2-CD1 3.69Å; W201-I225 VanDerWaalsContact CE2-CD1 3.43Å; W201-I225 HydrophobicContact CE3-CD1 3.92Å; W201-I225 HydrophobicContact CG-CB 4.32Å; W201-I225 HydrophobicContact CG-CD1 4.36Å; W201-I225 HydrophobicContact CG-CG2 4.43Å; W201-I225 HydrophobicContact CH2-CD1 3.65Å; W201-I225 HydrophobicContact CZ2-CD1 3.45Å; W201-I225 VanDerWaalsContact CZ2-CD1 3.45Å; W201-I225 HydrophobicContact CZ3-CD1 3.87Å; G202-I225 PolarHBondContact N-O 3.1Å; V223-I225 HydrophobicContact CG1-CG1 4.12Å; I225-V244 WeakPolarHBondContact CA-O 3.27Å; I225-V244 HydrophobicContact CG1-CB 4.37Å; I225-P246 HydrophobicContact CG2-CG 4.29Å; I225-L258 HydrophobicContact CD1-CD1 3.93Å; I225-L258 HydrophobicContact CD1-CD2 3.88Å; I225-L258 HydrophobicContact CG1-CD2 4.45Å |
| 226 | D | 97.1 | Very high | 96.1 | Very high | 16 Ų | 16 | 52.3 Ų | 52.3 | 9% | 0.086 | 28% | 0.283 | C | S | . | . | trans | -149.5 | 150.2 | 179.2 | -157.8 | -61.2 | 0 | 0 | 0 | 110 | V203 N228 K231 F243 V244 N245 P246 | V203-D226 HydrophobicContact CB-CB 4.07Å; V203-D226 HydrophobicContact CG2-CB 3.81Å; V203-D226 PolarHBondContact N-OD2 3.34Å; D226-N228 VanDerWaalsContact C-N 3.26Å; D226-N228 PolarHBondContact O-N 3.29Å; D226-N228 PolarHBondContact OD1-N 3.31Å; D226-K231 HydrophobicContact CB-CD 4.37Å; D226-K231 IonicContact OD1-NZ 2.72Å; D226-K231 WeakPolarHBondContact OD2-CD 3.44Å; D226-K231 IonicContact OD2-NZ 3.55Å; D226-K231 PolarHBondContact OD2-NZ 2.98Å; D226-F243 HydrophobicContact CB-CE2 4.2Å; D226-F243 HydrophobicContact CB-CZ 3.91Å; D226-V244 PolarHBondContact N-O 2.58Å; D226-N245 WeakPolarHBondContact O-CA 3.46Å; D226-P246 WeakPolarHBondContact O-CD 3.5Å | ||
| 227 | V | 95.6 | Very high | 96.2 | Very high | 92 Ų | 92 | 52.3 Ų | 52.3 | 56% | 0.558 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -75.2 | -18.4 | 179.2 | -66.6 | 0 | 0 | 0 | 0 | 112.7 | N245 P246 | V227-N245 PolarHBondContact O-ND2 2.79Å; V227-N245 PolarHBondContact O-OD1 3.36Å; V227-P246 HydrophobicContact CG1-CG 3.88Å |
| 228 | N | 93.7 | Very high | 96.3 | Very high | 45 Ų | 45 | 48.6 Ų | 48.6 | 24% | 0.241 | 27% | 0.269 | C | S | . | . | trans | -98.9 | 107.7 | -179.6 | -175.4 | -0.8 | 0 | 0 | 0 | 111.4 | D226 D230 K231 F243 | D226-N228 VanDerWaalsContact C-N 3.26Å; D226-N228 PolarHBondContact O-N 3.29Å; D226-N228 PolarHBondContact OD1-N 3.31Å; N228-D230 PolarHBondContact O-N 3.01Å; N228-D230 VanDerWaalsContact OD1-CB 3.3Å; N228-D230 WeakPolarHBondContact OD1-CB 3.32Å; N228-D230 PolarHBondContact OD1-N 3.38Å; N228-K231 HydrophobicContact CB-CD 4.36Å; N228-K231 HydrophobicContact CB-CG 4.24Å; N228-K231 WeakPolarHBondContact O-CB 3.49Å; N228-K231 PolarHBondContact O-N 3Å; N228-K231 VanDerWaalsContact O-N 3.16Å; N228-F243 WeakPolarHBondContact O-CZ 3.28Å | ||
| 229 | D | 94.3 | Very high | 96.4 | Very high | 94 Ų | 94 | 48.4 Ų | 48.4 | 50% | 0.503 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -25.2 | 178.2 | -73.4 | -40.3 | 0 | 0 | 0 | 113.7 | K231 L232 N245 | D229-K231 PolarHBondContact O-N 3.1Å; D229-L232 VanDerWaalsContact O-CB 3.27Å; D229-L232 WeakPolarHBondContact O-CB 3.48Å; D229-L232 PolarHBondContact O-N 3.07Å; D229-N245 VanDerWaalsContact OD1-CB 3.24Å; D229-N245 WeakPolarHBondContact OD1-CB 3.4Å; D229-N245 PolarHBondContact OD1-ND2 3.45Å; D229-N245 PolarHBondContact OD2-ND2 2.99Å |
| 230 | D | 92.9 | Very high | 96.5 | Very high | 126 Ų | 126 | 48 Ų | 48 | 67% | 0.674 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -19.3 | 179 | -64.3 | -26.6 | 0 | 0 | 0 | 111.9 | N228 L232 | N228-D230 PolarHBondContact O-N 3.01Å; N228-D230 VanDerWaalsContact OD1-CB 3.3Å; N228-D230 WeakPolarHBondContact OD1-CB 3.32Å; N228-D230 PolarHBondContact OD1-N 3.38Å; D230-L232 VanDerWaalsContact C-N 3.31Å; D230-L232 PolarHBondContact O-N 3.36Å |
| 231 | K | 93.4 | Very high | 96.6 | Very high | 49 Ų | 49 | 47.1 Ų | 47.1 | 21% | 0.213 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -79.9 | -8 | 177 | -63 | -172 | 175.9 | -174.2 | 0 | 114.4 | V203 D226 N228 D229 A233 L234 A235 F243 | V203-K231 HydrophobicContact CB-CB 4.32Å; V203-K231 HydrophobicContact CB-CD 3.93Å; V203-K231 HydrophobicContact CG1-CB 4.14Å; V203-K231 HydrophobicContact CG1-CD 4.33Å; V203-K231 WeakPolarHBondContact O-CD 3.44Å; V203-K231 PolarHBondContact O-NZ 3.23Å; D226-K231 HydrophobicContact CB-CD 4.37Å; D226-K231 IonicContact OD1-NZ 2.72Å; D226-K231 WeakPolarHBondContact OD2-CD 3.44Å; D226-K231 IonicContact OD2-NZ 3.55Å; D226-K231 PolarHBondContact OD2-NZ 2.98Å; N228-K231 HydrophobicContact CB-CD 4.36Å; N228-K231 HydrophobicContact CB-CG 4.24Å; N228-K231 WeakPolarHBondContact O-CB 3.49Å; N228-K231 PolarHBondContact O-N 3Å; N228-K231 VanDerWaalsContact O-N 3.16Å; D229-K231 PolarHBondContact O-N 3.1Å; K231-A233 VanDerWaalsContact C-N 3.34Å; K231-A233 PolarHBondContact O-N 2.9Å; K231-L234 PolarHBondContact O-N 3.26Å; K231-A235 WeakPolarHBondContact O-CB 3.49Å; K231-A235 PolarHBondContact O-N 3.26Å; K231-F243 HydrophobicContact CB-CE2 4.25Å; K231-F243 HydrophobicContact CB-CZ 4.4Å |
| 232 | L | 95.7 | Very high | 96.7 | Very high | 57 Ų | 57 | 48.9 Ų | 48.9 | 30% | 0.298 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -55.6 | -48.2 | 179 | 166 | 61.5 | 0 | 0 | 0 | 112 | D229 D230 L234 A235 R236 F243 | D229-L232 VanDerWaalsContact O-CB 3.27Å; D229-L232 WeakPolarHBondContact O-CB 3.48Å; D229-L232 PolarHBondContact O-N 3.07Å; D230-L232 VanDerWaalsContact C-N 3.31Å; D230-L232 PolarHBondContact O-N 3.36Å; L232-L234 VanDerWaalsContact C-N 3.33Å; L232-L234 PolarHBondContact O-N 2.86Å; L232-A235 PolarHBondContact O-N 3.17Å; L232-R236 HydrophobicContact CD1-CG 4.15Å; L232-R236 PolarHBondContact O-N 3.07Å; L232-F243 HydrophobicContact CB-CD1 4.29Å; L232-F243 HydrophobicContact CB-CD2 4.25Å; L232-F243 HydrophobicContact CB-CE2 4.49Å; L232-F243 HydrophobicContact CB-CG 4.15Å; L232-F243 HydrophobicContact CD1-CB 3.35Å; L232-F243 HydrophobicContact CD1-CD1 4.44Å; L232-F243 HydrophobicContact CD1-CD2 4.25Å; L232-F243 HydrophobicContact CD1-CG 3.8Å |
| 233 | A | 95.7 | Very high | 96.6 | Very high | 73 Ų | 73 | 50.6 Ų | 50.6 | 60% | 0.603 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62.2 | -44 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K231 R236 Q237 | K231-A233 VanDerWaalsContact C-N 3.34Å; K231-A233 PolarHBondContact O-N 2.9Å; A233-R236 PolarHBondContact O-N 2.98Å; A233-Q237 PolarHBondContact O-N 2.74Å |
| 234 | L | 94.5 | Very high | 96.6 | Very high | 37 Ų | 37 | 50.9 Ų | 50.9 | 19% | 0.194 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 178 | -170.5 | 61.5 | 0 | 0 | 0 | 111.5 | L208 K231 L232 R236 Q237 F238 | L208-L234 HydrophobicContact CD1-CD2 3.6Å; L208-L234 HydrophobicContact CD1-CG 3.85Å; L208-L234 HydrophobicContact CD2-CG 4.16Å; K231-L234 PolarHBondContact O-N 3.26Å; L232-L234 VanDerWaalsContact C-N 3.33Å; L232-L234 PolarHBondContact O-N 2.86Å; L234-R236 VanDerWaalsContact C-N 3.29Å; L234-R236 PolarHBondContact O-N 2.91Å; L234-Q237 WeakPolarHBondContact O-CB 3.45Å; L234-Q237 PolarHBondContact O-N 3.33Å; L234-Q237 VanDerWaalsContact O-N 3.12Å; L234-F238 HydrophobicContact CD1-CD2 4.09Å; L234-F238 HydrophobicContact CD1-CE2 3.75Å; L234-F238 HydrophobicContact CG-CD2 4.35Å; L234-F238 HydrophobicContact CG-CE2 4.31Å; L234-F238 WeakPolarHBondContact O-CD2 3.26Å; L234-F238 PolarHBondContact O-N 3.22Å; L234-F238 VanDerWaalsContact O-N 3.15Å |
| 235 | A | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -55 | -45.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V203 A224 K231 L232 F238 G239 A240 F243 | V203-A235 HydrophobicContact CG1-CB 3.94Å; A224-A235 HydrophobicContact CB-CB 3.81Å; K231-A235 WeakPolarHBondContact O-CB 3.49Å; K231-A235 PolarHBondContact O-N 3.26Å; L232-A235 PolarHBondContact O-N 3.17Å; A235-F238 PolarHBondContact O-N 3.47Å; A235-G239 PolarHBondContact O-N 2.89Å; A235-G239 VanDerWaalsContact O-N 3.13Å; A235-A240 HydrophobicContact CB-CB 3.78Å; A235-A240 VanDerWaalsContact O-CB 3.26Å; A235-A240 WeakPolarHBondContact O-CB 3.15Å; A235-A240 PolarHBondContact O-N 3Å; A235-F243 HydrophobicContact CB-CD2 4.03Å; A235-F243 HydrophobicContact CB-CE2 4.37Å |
| 236 | R | 97.9 | Very high | 96.4 | Very high | 154 Ų | 154 | 53.7 Ų | 53.7 | 58% | 0.581 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.7 | -40.2 | 176.8 | -76.9 | -174 | 172.3 | 173.7 | 2.8 | 112.7 | L232 A233 L234 F238 G239 | L232-R236 HydrophobicContact CD1-CG 4.15Å; L232-R236 PolarHBondContact O-N 3.07Å; A233-R236 PolarHBondContact O-N 2.98Å; L234-R236 VanDerWaalsContact C-N 3.29Å; L234-R236 PolarHBondContact O-N 2.91Å; R236-F238 PolarHBondContact O-N 2.69Å; R236-G239 PolarHBondContact O-N 3.43Å |
| 237 | Q | 96.8 | Very high | 96.2 | Very high | 107 Ų | 107 | 56.3 Ų | 56.3 | 50% | 0.5 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.1 | -33.3 | 175.8 | 177.7 | -179 | -16.3 | 0 | 0 | 112.5 | A233 L234 | A233-Q237 PolarHBondContact O-N 2.74Å; L234-Q237 WeakPolarHBondContact O-CB 3.45Å; L234-Q237 PolarHBondContact O-N 3.33Å; L234-Q237 VanDerWaalsContact O-N 3.12Å |
| 238 | F | 97.8 | Very high | 95.9 | Very high | 9 Ų | 9 | 59.3 Ų | 59.3 | 4% | 0.039 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -85.4 | -10.7 | 175.9 | -81.5 | -95 | 0 | 0 | 0 | 113.8 | L208 I211 M212 L234 A235 R236 K345 E348 F349 | L208-F238 HydrophobicContact CB-CD1 4.13Å; L208-F238 HydrophobicContact CB-CD2 4.37Å; L208-F238 HydrophobicContact CB-CE1 4.4Å; L208-F238 HydrophobicContact CB-CG 4.1Å; L208-F238 HydrophobicContact CD1-CD2 4.31Å; L208-F238 HydrophobicContact CD1-CE2 4.18Å; L208-F238 HydrophobicContact CD2-CB 3.95Å; L208-F238 HydrophobicContact CD2-CD2 3.72Å; L208-F238 HydrophobicContact CD2-CE2 4.41Å; L208-F238 HydrophobicContact CD2-CG 3.87Å; L208-F238 HydrophobicContact CG-CD2 4.36Å; L208-F238 HydrophobicContact CG-CG 4.47Å; I211-F238 HydrophobicContact CG2-CB 4.07Å; I211-F238 WeakPolarHBondContact CG2-O 3.4Å; M212-F238 HydrophobicContact CB-CD1 4.44Å; L234-F238 HydrophobicContact CD1-CD2 4.09Å; L234-F238 HydrophobicContact CD1-CE2 3.75Å; L234-F238 HydrophobicContact CG-CD2 4.35Å; L234-F238 HydrophobicContact CG-CE2 4.31Å; L234-F238 WeakPolarHBondContact O-CD2 3.26Å; L234-F238 PolarHBondContact O-N 3.22Å; L234-F238 VanDerWaalsContact O-N 3.15Å; A235-F238 PolarHBondContact O-N 3.47Å; R236-F238 PolarHBondContact O-N 2.69Å; F238-K345 HydrophobicContact CD1-CD 4.25Å; F238-K345 HydrophobicContact CE1-CB 4.26Å; F238-K345 HydrophobicContact CE1-CD 4.13Å; F238-E348 HydrophobicContact CE2-CB 4.1Å; F238-E348 HydrophobicContact CZ-CB 3.67Å; F238-F349 HydrophobicContact CD1-CE2 4.5Å; F238-F349 HydrophobicContact CD1-CZ 4.1Å; F238-F349 HydrophobicContact CE1-CD2 4.19Å; F238-F349 AromaticContact CE1-CE1 3.98Å; F238-F349 HydrophobicContact CE1-CE1 3.98Å; F238-F349 AromaticContact CE1-CE2 3.37Å; F238-F349 HydrophobicContact CE1-CE2 3.37Å; F238-F349 AromaticContact CE1-CZ 3.24Å; F238-F349 HydrophobicContact CE1-CZ 3.24Å; F238-F349 HydrophobicContact CZ-CD1 4.36Å; F238-F349 HydrophobicContact CZ-CD2 4.11Å; F238-F349 AromaticContact CZ-CE1 3.98Å; F238-F349 HydrophobicContact CZ-CE1 3.98Å; F238-F349 AromaticContact CZ-CE2 3.73Å; F238-F349 HydrophobicContact CZ-CE2 3.73Å; F238-F349 HydrophobicContact CZ-CG 4.43Å; F238-F349 AromaticContact CZ-CZ 3.66Å; F238-F349 HydrophobicContact CZ-CZ 3.66Å |
| 239 | G | 97.7 | Very high | 95.8 | Very high | 26 Ų | 26 | 59.2 Ų | 59.2 | 27% | 0.268 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 114.9 | 11.9 | 172 | 0 | 0 | 0 | 0 | 0 | 115.6 | A235 R236 T241 | A235-G239 PolarHBondContact O-N 2.89Å; A235-G239 VanDerWaalsContact O-N 3.13Å; R236-G239 PolarHBondContact O-N 3.43Å; G239-T241 PolarHBondContact O-N 3.5Å |
| 240 | A | 98.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 57 Ų | 57 | 7% | 0.066 | 32% | 0.317 | C | S | . | . | trans | -60.8 | 131.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | I211 A224 A235 | I211-A240 HydrophobicContact CD1-CB 4.26Å; I211-A240 HydrophobicContact CG2-CB 4.43Å; A224-A240 HydrophobicContact CB-CB 3.83Å; A235-A240 HydrophobicContact CB-CB 3.78Å; A235-A240 VanDerWaalsContact O-CB 3.26Å; A235-A240 WeakPolarHBondContact O-CB 3.15Å; A235-A240 PolarHBondContact O-N 3Å | ||
| 241 | T | 98.3 | Very high | 95.7 | Very high | 58 Ų | 58 | 54.5 Ų | 54.5 | 36% | 0.356 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -88.2 | -30.8 | 178 | 58.3 | 0 | 0 | 0 | 0 | 112.1 | I222 G239 | I222-T241 PolarHBondContact N-OG1 2.8Å; I222-T241 PolarHBondContact O-N 2.82Å; I222-T241 PolarHBondContact O-OG1 3.5Å; G239-T241 PolarHBondContact O-N 3.5Å |
| 242 | H | 98.2 | Very high | 95.8 | Very high | 72 Ų | 72 | 58.1 Ų | 58.1 | 33% | 0.333 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 159.6 | -179.1 | -58.5 | 76 | 0 | 0 | 0 | 109 | M221 I222 V223 A224 M261 | M221-H242 VanDerWaalsContact CE-CE1 3.45Å; M221-H242 WeakPolarHBondContact CE-CE1 3.29Å; I222-H242 PolarHBondContact O-N 3.21Å; I222-H242 VanDerWaalsContact O-N 3.1Å; V223-H242 HydrophobicContact CB-CB 4.46Å; V223-H242 HydrophobicContact CG1-CB 4.28Å; V223-H242 HydrophobicContact CG2-CB 4.08Å; A224-H242 PolarHBondContact N-O 2.98Å; H242-M261 HydrophobicContact CB-CE 4.11Å |
| 243 | F | 98.1 | Very high | 95.9 | Very high | 37 Ų | 37 | 58.3 Ų | 58.3 | 16% | 0.162 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 137.3 | 175.6 | -171.3 | -87.7 | 0 | 0 | 0 | 108.8 | V203 A224 D226 N228 K231 L232 A235 N245 | V203-F243 HydrophobicContact CG2-CE2 4.23Å; A224-F243 HydrophobicContact CB-CD2 3.79Å; A224-F243 HydrophobicContact CB-CE2 4.38Å; A224-F243 CarbonylContact O-C 3.53Å; A224-F243 VanDerWaalsContact O-CA 3.23Å; A224-F243 WeakPolarHBondContact O-CA 3.45Å; D226-F243 HydrophobicContact CB-CE2 4.2Å; D226-F243 HydrophobicContact CB-CZ 3.91Å; N228-F243 WeakPolarHBondContact O-CZ 3.28Å; K231-F243 HydrophobicContact CB-CE2 4.25Å; K231-F243 HydrophobicContact CB-CZ 4.4Å; L232-F243 HydrophobicContact CB-CD1 4.29Å; L232-F243 HydrophobicContact CB-CD2 4.25Å; L232-F243 HydrophobicContact CB-CE2 4.49Å; L232-F243 HydrophobicContact CB-CG 4.15Å; L232-F243 HydrophobicContact CD1-CB 3.35Å; L232-F243 HydrophobicContact CD1-CD1 4.44Å; L232-F243 HydrophobicContact CD1-CD2 4.25Å; L232-F243 HydrophobicContact CD1-CG 3.8Å; A235-F243 HydrophobicContact CB-CD2 4.03Å; A235-F243 HydrophobicContact CB-CE2 4.37Å; F243-N245 HydrophobicContact CE1-CB 4.42Å |
| 244 | V | 98 | Very high | 95.9 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 125.3 | 179.4 | 176.1 | 0 | 0 | 0 | 0 | 108.7 | V223 A224 I225 D226 L254 L258 M261 | V223-V244 HydrophobicContact CG1-CG2 3.87Å; A224-V244 PolarHBondContact O-N 3.29Å; I225-V244 WeakPolarHBondContact CA-O 3.27Å; I225-V244 HydrophobicContact CG1-CB 4.37Å; D226-V244 PolarHBondContact N-O 2.58Å; V244-L254 HydrophobicContact CG1-CD1 3.69Å; V244-L258 HydrophobicContact CG2-CD2 4.3Å; V244-M261 HydrophobicContact CG2-CE 4.4Å; V244-M261 HydrophobicContact CG2-SD 4.15Å |
| 245 | N | 97.2 | Very high | 96.1 | Very high | 31 Ų | 31 | 55 Ų | 55 | 17% | 0.166 | 29% | 0.29 | C | S | . | . | trans | -97.1 | 113.4 | 171 | -172.2 | -25.4 | 0 | 0 | 0 | 110 | D226 V227 D229 F243 S247 | D226-N245 WeakPolarHBondContact O-CA 3.46Å; V227-N245 PolarHBondContact O-ND2 2.79Å; V227-N245 PolarHBondContact O-OD1 3.36Å; D229-N245 VanDerWaalsContact OD1-CB 3.24Å; D229-N245 WeakPolarHBondContact OD1-CB 3.4Å; D229-N245 PolarHBondContact OD1-ND2 3.45Å; D229-N245 PolarHBondContact OD2-ND2 2.99Å; F243-N245 HydrophobicContact CE1-CB 4.42Å; N245-S247 PolarHBondContact O-N 3Å; N245-S247 WeakPolarHBondContact OD1-CB 3.4Å; N245-S247 PolarHBondContact OD1-N 3.13Å; N245-S247 PolarHBondContact OD1-OG 3.37Å | ||
| 246 | P | 96 | Very high | 96.1 | Very high | 30 Ų | 30 | 60.9 Ų | 60.9 | 20% | 0.195 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -77.9 | -5.4 | -175.4 | 33.6 | -36.6 | 0 | 0 | 0 | 113.9 | I225 D226 V227 N248 S249 L254 | I225-P246 HydrophobicContact CG2-CG 4.29Å; D226-P246 WeakPolarHBondContact O-CD 3.5Å; V227-P246 HydrophobicContact CG1-CG 3.88Å; P246-N248 PolarHBondContact O-N 3.28Å; P246-N248 VanDerWaalsContact O-N 3.15Å; P246-S249 PolarHBondContact O-N 3.24Å; P246-S249 VanDerWaalsContact O-N 3.17Å; P246-L254 HydrophobicContact CB-CD1 4.08Å; P246-L254 HydrophobicContact CB-CD2 3.42Å; P246-L254 VanDerWaalsContact CB-CD2 3.42Å; P246-L254 HydrophobicContact CB-CG 4.36Å |
| 247 | S | 93.3 | Very high | 96.1 | Very high | 70 Ų | 70 | 56.9 Ų | 56.9 | 49% | 0.49 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -63.7 | -24.1 | -168 | -56 | 0 | 0 | 0 | 0 | 114.6 | N245 | N245-S247 PolarHBondContact O-N 3Å; N245-S247 WeakPolarHBondContact OD1-CB 3.4Å; N245-S247 PolarHBondContact OD1-N 3.13Å; N245-S247 PolarHBondContact OD1-OG 3.37Å |
| 248 | N | 89 | Confident | 96.1 | Very high | 156 Ų | 156 | 51.8 Ų | 51.8 | 83% | 0.834 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -106.1 | 6.4 | -178.4 | -63.5 | -43.8 | 0 | 0 | 0 | 113.6 | P246 | P246-N248 PolarHBondContact O-N 3.28Å; P246-N248 VanDerWaalsContact O-N 3.15Å |
| 249 | S | 91 | Very high | 96.1 | Very high | 43 Ų | 43 | 53.6 Ų | 53.6 | 30% | 0.301 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -112.9 | 140.7 | -177.5 | -63.2 | 0 | 0 | 0 | 0 | 110.3 | P246 | P246-S249 PolarHBondContact O-N 3.24Å; P246-S249 VanDerWaalsContact O-N 3.17Å |
| 250 | S | 94 | Very high | 96.1 | Very high | 48 Ų | 48 | 59 Ų | 59 | 34% | 0.336 | 31% | 0.305 | S | S | . | . | trans | -63 | 161.8 | 161.9 | 74.4 | 0 | 0 | 0 | 0 | 109.6 | E252 D253 L254 | S250-E252 VanDerWaalsContact C-N 3.25Å; S250-E252 PolarHBondContact O-N 3.15Å; S250-D253 WeakPolarHBondContact CB-OD2 3.06Å; S250-D253 PolarHBondContact O-N 3.12Å; S250-D253 WeakPolarHBondContact OG-CB 3.27Å; S250-D253 PolarHBondContact OG-N 3.01Å; S250-D253 VanDerWaalsContact OG-N 3.09Å; S250-D253 PolarHBondContact OG-OD2 2.83Å; S250-L254 WeakPolarHBondContact O-CB 3.11Å; S250-L254 PolarHBondContact O-N 3.38Å | ||
| 251 | K | 92.2 | Very high | 96.1 | Very high | 72 Ų | 72 | 61.6 Ų | 61.6 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.4 | -41.3 | 177.4 | -179.2 | 179.1 | 175.9 | 176.3 | 0 | 111.4 | Q255 | K251-Q255 WeakPolarHBondContact O-CB 3.46Å; K251-Q255 PolarHBondContact O-N 3.3Å |
| 252 | E | 94.9 | Very high | 96 | Very high | 126 Ų | 126 | 59.3 Ų | 59.3 | 59% | 0.589 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -67.1 | -38.7 | 179.6 | -66.6 | 70.3 | -155 | 0 | 0 | 111.7 | S250 R256 | S250-E252 VanDerWaalsContact C-N 3.25Å; S250-E252 PolarHBondContact O-N 3.15Å; E252-R256 WeakPolarHBondContact O-CB 3.34Å; E252-R256 PolarHBondContact O-N 3.25Å |
| 253 | D | 96.7 | Very high | 95.9 | Very high | 61 Ų | 61 | 62.9 Ų | 62.9 | 33% | 0.326 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69.7 | -44.6 | 176.9 | -63.1 | -36.4 | 0 | 0 | 0 | 111.7 | S250 Q255 R256 E257 | S250-D253 WeakPolarHBondContact CB-OD2 3.06Å; S250-D253 PolarHBondContact O-N 3.12Å; S250-D253 WeakPolarHBondContact OG-CB 3.27Å; S250-D253 PolarHBondContact OG-N 3.01Å; S250-D253 VanDerWaalsContact OG-N 3.09Å; S250-D253 PolarHBondContact OG-OD2 2.83Å; D253-Q255 VanDerWaalsContact C-N 3.34Å; D253-Q255 PolarHBondContact O-N 3.32Å; D253-R256 PolarHBondContact O-N 2.9Å; D253-R256 IonicContact OD1-CZ 3.39Å; D253-R256 IonicContact OD1-NH1 2.78Å; D253-R256 PolarHBondContact OD1-NH1 3.25Å; D253-R256 IonicContact OD1-NH2 3.41Å; D253-R256 PolarHBondContact OD1-NH2 3.06Å; D253-E257 WeakPolarHBondContact O-CB 3.41Å; D253-E257 PolarHBondContact O-N 3.36Å |
| 254 | L | 96.9 | Very high | 95.9 | Very high | 10 Ų | 10 | 62.9 Ų | 62.9 | 5% | 0.052 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 175.4 | 177.2 | 63.9 | 0 | 0 | 0 | 111.3 | V244 P246 S250 R256 E257 L258 L281 | V244-L254 HydrophobicContact CG1-CD1 3.69Å; P246-L254 HydrophobicContact CB-CD1 4.08Å; P246-L254 HydrophobicContact CB-CD2 3.42Å; P246-L254 VanDerWaalsContact CB-CD2 3.42Å; P246-L254 HydrophobicContact CB-CG 4.36Å; S250-L254 WeakPolarHBondContact O-CB 3.11Å; S250-L254 PolarHBondContact O-N 3.38Å; L254-R256 VanDerWaalsContact C-N 3.31Å; L254-R256 PolarHBondContact O-N 3.28Å; L254-E257 PolarHBondContact O-N 3.46Å; L254-L258 HydrophobicContact CD1-CD1 4.03Å; L254-L258 HydrophobicContact CD1-CG 4.16Å; L254-L258 HydrophobicContact CG-CD1 4.01Å; L254-L258 HydrophobicContact CG-CG 4.5Å; L254-L258 WeakPolarHBondContact O-CB 3.26Å; L254-L258 WeakPolarHBondContact O-CG 3.38Å; L254-L258 PolarHBondContact O-N 2.88Å; L254-L281 HydrophobicContact CD2-CD2 3.54Å; L254-L281 HydrophobicContact CG-CD2 4.13Å |
| 255 | Q | 97.6 | Very high | 95.9 | Very high | 31 Ų | 31 | 62.5 Ų | 62.5 | 15% | 0.145 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 176.4 | -171.9 | 178.3 | 7.7 | 0 | 0 | 110.9 | K251 D253 L258 L259 L281 Y311 | K251-Q255 WeakPolarHBondContact O-CB 3.46Å; K251-Q255 PolarHBondContact O-N 3.3Å; D253-Q255 VanDerWaalsContact C-N 3.34Å; D253-Q255 PolarHBondContact O-N 3.32Å; Q255-L258 PolarHBondContact O-N 3.23Å; Q255-L259 HydrophobicContact CG-CD1 3.94Å; Q255-L259 HydrophobicContact CG-CG 4.39Å; Q255-L259 WeakPolarHBondContact O-CB 3.37Å; Q255-L259 WeakPolarHBondContact O-CG 3.41Å; Q255-L259 PolarHBondContact O-N 3.02Å; Q255-L281 HydrophobicContact CB-CD1 3.7Å; Q255-L281 HydrophobicContact CG-CD1 3.89Å; Q255-Y311 PolarHBondContact NE2-OH 2.74Å |
| 256 | R | 97.6 | Very high | 95.9 | Very high | 123 Ų | 123 | 61 Ų | 61 | 46% | 0.464 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.8 | -48.1 | 179.4 | -177.2 | 175.2 | 65.8 | -106.1 | 0.5 | 111.8 | E252 D253 L254 L258 L259 E260 | E252-R256 WeakPolarHBondContact O-CB 3.34Å; E252-R256 PolarHBondContact O-N 3.25Å; D253-R256 PolarHBondContact O-N 2.9Å; D253-R256 IonicContact OD1-CZ 3.39Å; D253-R256 IonicContact OD1-NH1 2.78Å; D253-R256 PolarHBondContact OD1-NH1 3.25Å; D253-R256 IonicContact OD1-NH2 3.41Å; D253-R256 PolarHBondContact OD1-NH2 3.06Å; L254-R256 VanDerWaalsContact C-N 3.31Å; L254-R256 PolarHBondContact O-N 3.28Å; R256-L258 VanDerWaalsContact C-N 3.33Å; R256-L258 PolarHBondContact O-N 3.15Å; R256-L259 PolarHBondContact O-N 3.08Å; R256-E260 HydrophobicContact CG-CG 4.38Å; R256-E260 VanDerWaalsContact CG-OE1 3.27Å; R256-E260 WeakPolarHBondContact CG-OE1 3.41Å; R256-E260 WeakPolarHBondContact O-CB 3.41Å; R256-E260 WeakPolarHBondContact O-CG 3.48Å; R256-E260 PolarHBondContact O-N 3.28Å |
| 257 | E | 97.6 | Very high | 96 | Very high | 70 Ų | 70 | 60.8 Ų | 60.8 | 33% | 0.327 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -54.5 | -50.1 | 176 | 178.8 | -175.7 | 173.7 | 0 | 0 | 111.1 | D253 L254 L259 E260 M261 | D253-E257 WeakPolarHBondContact O-CB 3.41Å; D253-E257 PolarHBondContact O-N 3.36Å; L254-E257 PolarHBondContact O-N 3.46Å; E257-L259 VanDerWaalsContact C-N 3.35Å; E257-L259 PolarHBondContact O-N 3.36Å; E257-E260 PolarHBondContact O-N 3.14Å; E257-M261 HydrophobicContact CG-SD 4.1Å; E257-M261 WeakPolarHBondContact O-CB 3.32Å; E257-M261 VanDerWaalsContact O-CG 3.27Å; E257-M261 WeakPolarHBondContact O-CG 3.39Å; E257-M261 PolarHBondContact O-N 2.89Å |
| 258 | L | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 179.7 | -74 | 177.7 | 0 | 0 | 0 | 112.8 | W201 V223 I225 V244 L254 Q255 R256 S262 F266 | W201-L258 HydrophobicContact CH2-CD1 4.13Å; W201-L258 HydrophobicContact CZ2-CD1 3.61Å; V223-L258 HydrophobicContact CG1-CD2 4.34Å; I225-L258 HydrophobicContact CD1-CD1 3.93Å; I225-L258 HydrophobicContact CD1-CD2 3.88Å; I225-L258 HydrophobicContact CG1-CD2 4.45Å; V244-L258 HydrophobicContact CG2-CD2 4.3Å; L254-L258 HydrophobicContact CD1-CD1 4.03Å; L254-L258 HydrophobicContact CD1-CG 4.16Å; L254-L258 HydrophobicContact CG-CD1 4.01Å; L254-L258 HydrophobicContact CG-CG 4.5Å; L254-L258 WeakPolarHBondContact O-CB 3.26Å; L254-L258 WeakPolarHBondContact O-CG 3.38Å; L254-L258 PolarHBondContact O-N 2.88Å; Q255-L258 PolarHBondContact O-N 3.23Å; R256-L258 VanDerWaalsContact C-N 3.33Å; R256-L258 PolarHBondContact O-N 3.15Å; L258-S262 WeakPolarHBondContact O-CB 3.22Å; L258-S262 PolarHBondContact O-N 3.48Å; L258-S262 PolarHBondContact O-OG 3.34Å; L258-F266 HydrophobicContact CB-CE2 4.03Å; L258-F266 HydrophobicContact CD2-CE2 4.08Å; L258-F266 HydrophobicContact CD2-CZ 4.09Å |
| 259 | L | 98.2 | Very high | 96.7 | Very high | 47 Ų | 47 | 50.4 Ų | 50.4 | 25% | 0.246 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.3 | -40 | 176 | -71.3 | 172.4 | 0 | 0 | 0 | 112 | Q255 R256 E257 S262 D263 G264 | Q255-L259 HydrophobicContact CG-CD1 3.94Å; Q255-L259 HydrophobicContact CG-CG 4.39Å; Q255-L259 WeakPolarHBondContact O-CB 3.37Å; Q255-L259 WeakPolarHBondContact O-CG 3.41Å; Q255-L259 PolarHBondContact O-N 3.02Å; R256-L259 PolarHBondContact O-N 3.08Å; E257-L259 VanDerWaalsContact C-N 3.35Å; E257-L259 PolarHBondContact O-N 3.36Å; L259-S262 PolarHBondContact O-N 2.99Å; L259-S262 PolarHBondContact O-OG 2.81Å; L259-D263 PolarHBondContact O-N 3.27Å; L259-G264 WeakPolarHBondContact CD2-O 3.34Å; L259-G264 PolarHBondContact O-N 2.99Å |
| 260 | E | 97.6 | Very high | 97.1 | Very high | 140 Ų | 140 | 48.3 Ų | 48.3 | 65% | 0.654 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -65.3 | -43.2 | 176.5 | -74.7 | 173.4 | -172.9 | 0 | 0 | 111.3 | R256 E257 S262 D263 | R256-E260 HydrophobicContact CG-CG 4.38Å; R256-E260 VanDerWaalsContact CG-OE1 3.27Å; R256-E260 WeakPolarHBondContact CG-OE1 3.41Å; R256-E260 WeakPolarHBondContact O-CB 3.41Å; R256-E260 WeakPolarHBondContact O-CG 3.48Å; R256-E260 PolarHBondContact O-N 3.28Å; E257-E260 PolarHBondContact O-N 3.14Å; E260-S262 PolarHBondContact O-N 2.99Å; E260-D263 PolarHBondContact O-N 3.41Å |
| 261 | M | 97 | Very high | 97.3 | Very high | 61 Ų | 61 | 46 Ų | 46 | 30% | 0.3 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.2 | -27.8 | 177.4 | -73.8 | 179.6 | 67.5 | 0 | 0 | 113.8 | V223 H242 V244 E257 | V223-M261 HydrophobicContact CG2-CE 4.48Å; H242-M261 HydrophobicContact CB-CE 4.11Å; V244-M261 HydrophobicContact CG2-CE 4.4Å; V244-M261 HydrophobicContact CG2-SD 4.15Å; E257-M261 HydrophobicContact CG-SD 4.1Å; E257-M261 WeakPolarHBondContact O-CB 3.32Å; E257-M261 VanDerWaalsContact O-CG 3.27Å; E257-M261 WeakPolarHBondContact O-CG 3.39Å; E257-M261 PolarHBondContact O-N 2.89Å |
| 262 | S | 97.1 | Very high | 97.5 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 7% | 0.07 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 14.5 | -174.7 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | L258 L259 E260 G264 G265 | L258-S262 WeakPolarHBondContact O-CB 3.22Å; L258-S262 PolarHBondContact O-N 3.48Å; L258-S262 PolarHBondContact O-OG 3.34Å; L259-S262 PolarHBondContact O-N 2.99Å; L259-S262 PolarHBondContact O-OG 2.81Å; E260-S262 PolarHBondContact O-N 2.99Å; S262-G264 VanDerWaalsContact C-N 3.29Å; S262-G264 PolarHBondContact O-N 2.92Å; S262-G265 PolarHBondContact O-N 3.23Å; S262-G265 VanDerWaalsContact OG-C 3.23Å; S262-G265 WeakPolarHBondContact OG-CA 3.45Å; S262-G265 PolarHBondContact OG-N 2.83Å; S262-G265 VanDerWaalsContact OG-N 3.16Å |
| 263 | D | 96.1 | Very high | 97.5 | Very high | 147 Ų | 147 | 42 Ų | 42 | 79% | 0.786 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 44.3 | -178.2 | -165.8 | 28.1 | 0 | 0 | 0 | 113.4 | L259 E260 | L259-D263 PolarHBondContact O-N 3.27Å; E260-D263 PolarHBondContact O-N 3.41Å |
| 264 | G | 97.2 | Very high | 97.4 | Very high | 37 Ų | 37 | 40 Ų | 40 | 38% | 0.381 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 104.3 | 0.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | L259 S262 | L259-G264 WeakPolarHBondContact CD2-O 3.34Å; L259-G264 PolarHBondContact O-N 2.99Å; S262-G264 VanDerWaalsContact C-N 3.29Å; S262-G264 PolarHBondContact O-N 2.92Å |
| 265 | G | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | 143.9 | 161.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S262 C285 H287 | S262-G265 PolarHBondContact O-N 3.23Å; S262-G265 VanDerWaalsContact OG-C 3.23Å; S262-G265 WeakPolarHBondContact OG-CA 3.45Å; S262-G265 PolarHBondContact OG-N 2.83Å; S262-G265 VanDerWaalsContact OG-N 3.16Å; G265-C285 CarbonylContact C-O 3.48Å; G265-C285 WeakPolarHBondContact CA-O 3.35Å; G265-H287 WeakPolarHBondContact O-CB 3.32Å; G265-H287 PolarHBondContact O-CD2 2.96Å; G265-H287 VanDerWaalsContact O-CD2 3.24Å | ||
| 266 | F | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -78.8 | 143.2 | 179.5 | -60.7 | -81.7 | 0 | 0 | 0 | 112.5 | T197 A199 M221 V223 L258 Y268 T269 C285 C286 H287 | T197-F266 WeakPolarHBondContact OG1-CA 3.22Å; A199-F266 HydrophobicContact CB-CB 4.46Å; A199-F266 HydrophobicContact CB-CD1 3.84Å; A199-F266 HydrophobicContact CB-CD2 3.53Å; A199-F266 HydrophobicContact CB-CE1 3.93Å; A199-F266 HydrophobicContact CB-CE2 3.59Å; A199-F266 HydrophobicContact CB-CG 3.66Å; A199-F266 HydrophobicContact CB-CZ 3.81Å; M221-F266 HydrophobicContact SD-CE1 4.41Å; V223-F266 HydrophobicContact CB-CE1 4.1Å; V223-F266 HydrophobicContact CB-CZ 4.19Å; V223-F266 HydrophobicContact CG2-CE1 3.46Å; V223-F266 VanDerWaalsContact CG2-CE1 3.46Å; V223-F266 HydrophobicContact CG2-CZ 3.8Å; L258-F266 HydrophobicContact CB-CE2 4.03Å; L258-F266 HydrophobicContact CD2-CE2 4.08Å; L258-F266 HydrophobicContact CD2-CZ 4.09Å; F266-Y268 PolarHBondContact O-N 3.39Å; F266-T269 HydrophobicContact CB-CG2 3.81Å; F266-T269 HydrophobicContact CD2-CG2 4.18Å; F266-T269 HydrophobicContact CG-CG2 4.32Å; F266-C285 HydrophobicContact CD2-CB 4.25Å; F266-C285 PolarHBondContact N-O 2.86Å; F266-C286 CarbonylContact O-C 3.57Å; F266-C286 VanDerWaalsContact O-CA 3.29Å; F266-C286 WeakPolarHBondContact O-CA 3.39Å; F266-H287 PolarHBondContact O-N 3.45Å |
| 267 | D | 97.9 | Very high | 97.2 | Very high | 25 Ų | 25 | 40.2 Ų | 40.2 | 13% | 0.134 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -61.2 | -39.3 | 172.3 | -59.1 | -58.6 | 0 | 0 | 0 | 110.9 | S196 T197 W290 G291 V292 | S196-D267 VanDerWaalsContact CA-OD2 3.26Å; S196-D267 WeakPolarHBondContact CA-OD2 3.47Å; T197-D267 PolarHBondContact N-OD2 2.83Å; T197-D267 PolarHBondContact O-N 2.92Å; T197-D267 VanDerWaalsContact O-N 3.11Å; T197-D267 PolarHBondContact OG1-N 3.24Å; T197-D267 PolarHBondContact OG1-OD2 3.37Å; T197-D267 VanDerWaalsContact OG1-OD2 3.05Å; D267-W290 PolarHBondContact OD1-NE1 3.16Å; D267-G291 CarbonylContact O-C 3.47Å; D267-G291 VanDerWaalsContact O-CA 3.29Å; D267-G291 WeakPolarHBondContact O-CA 3.43Å; D267-V292 PolarHBondContact O-N 2.88Å |
| 268 | Y | 98.5 | Very high | 97.2 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 3% | 0.027 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 136.7 | 179.2 | -54.2 | -83.8 | 0 | 0 | 0 | 112 | A189 V191 I192 E193 T197 V198 A199 F266 V292 | A189-Y268 HydrophobicContact CB-CD1 3.87Å; A189-Y268 HydrophobicContact CB-CE1 4.27Å; V191-Y268 WeakPolarHBondContact CB-OH 3.4Å; V191-Y268 HydrophobicContact CG2-CE1 3.71Å; V191-Y268 WeakPolarHBondContact CG2-OH 3.34Å; V191-Y268 PolarHBondContact O-OH 2.95Å; I192-Y268 HydrophobicContact CB-CD2 4.28Å; I192-Y268 HydrophobicContact CB-CE2 4.22Å; I192-Y268 HydrophobicContact CG1-CD1 4.21Å; I192-Y268 HydrophobicContact CG1-CD2 3.71Å; I192-Y268 HydrophobicContact CG1-CE2 4.02Å; I192-Y268 HydrophobicContact CG1-CG 3.84Å; I192-Y268 HydrophobicContact CG2-CD2 4.42Å; E193-Y268 PolarHBondContact OE2-OH 2.65Å; T197-Y268 PolarHBondContact O-N 2.89Å; T197-Y268 VanDerWaalsContact O-N 3.11Å; V198-Y268 VanDerWaalsContact CA-O 3.28Å; V198-Y268 WeakPolarHBondContact CA-O 3.15Å; V198-Y268 HydrophobicContact CG2-CD2 4.48Å; A199-Y268 PolarHBondContact N-O 3.08Å; F266-Y268 PolarHBondContact O-N 3.39Å; Y268-V292 WeakPolarHBondContact CA-O 3.36Å; Y268-V292 HydrophobicContact CD1-CB 3.83Å; Y268-V292 HydrophobicContact CD1-CG2 4.36Å; Y268-V292 HydrophobicContact CE1-CB 4.01Å; Y268-V292 HydrophobicContact CE1-CG2 4.02Å |
| 269 | T | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 146 | 170 | 66.1 | 0 | 0 | 0 | 0 | 111.7 | A199 W201 F266 A282 C286 V292 S293 V294 | A199-T269 HydrophobicContact CB-CG2 4.2Å; A199-T269 CarbonylContact O-C 3.58Å; A199-T269 VanDerWaalsContact O-CA 3.3Å; A199-T269 WeakPolarHBondContact O-CA 3.26Å; W201-T269 HydrophobicContact CH2-CG2 4.29Å; W201-T269 HydrophobicContact CZ3-CG2 3.83Å; F266-T269 HydrophobicContact CB-CG2 3.81Å; F266-T269 HydrophobicContact CD2-CG2 4.18Å; F266-T269 HydrophobicContact CG-CG2 4.32Å; T269-A282 WeakPolarHBondContact CB-O 3.37Å; T269-A282 VanDerWaalsContact CG2-O 3.28Å; T269-A282 WeakPolarHBondContact CG2-O 3.43Å; T269-A282 VanDerWaalsContact OG1-C 3.26Å; T269-A282 PolarHBondContact OG1-O 2.9Å; T269-C286 VanDerWaalsContact CG2-SG 3.56Å; T269-C286 PolarHBondContact OG1-SG 2.96Å; T269-V292 PolarHBondContact N-O 3.44Å; T269-S293 CarbonylContact O-C 3.5Å; T269-S293 WeakPolarHBondContact O-CA 3.41Å; T269-S293 WeakPolarHBondContact OG1-CA 3.23Å; T269-S293 WeakPolarHBondContact OG1-CB 3.48Å; T269-S293 PolarHBondContact OG1-OG 2.91Å; T269-V294 PolarHBondContact O-N 2.76Å |
| 270 | F | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 124.7 | 179.8 | -62.1 | -94.5 | 0 | 0 | 0 | 110 | A184 A185 A189 I192 V198 A199 V200 W201 V210 V294 L296 | A184-F270 HydrophobicContact CB-CD1 4.22Å; A184-F270 HydrophobicContact CB-CE1 4.02Å; A185-F270 HydrophobicContact CB-CZ 4.38Å; A189-F270 HydrophobicContact CB-CE1 4.29Å; A189-F270 HydrophobicContact CB-CZ 3.8Å; I192-F270 HydrophobicContact CD1-CE2 4.2Å; I192-F270 HydrophobicContact CD1-CZ 4.03Å; V198-F270 HydrophobicContact CG1-CD2 3.77Å; V198-F270 HydrophobicContact CG1-CE2 3.71Å; A199-F270 PolarHBondContact O-N 2.87Å; V200-F270 WeakPolarHBondContact CA-O 3.5Å; V200-F270 HydrophobicContact CG1-CB 4.42Å; V200-F270 HydrophobicContact CG2-CB 4.48Å; V200-F270 HydrophobicContact CG2-CD2 4.39Å; W201-F270 PolarHBondContact N-O 3.01Å; V210-F270 HydrophobicContact CB-CG 4.47Å; V210-F270 HydrophobicContact CG1-CB 3.85Å; V210-F270 HydrophobicContact CG1-CD1 3.81Å; V210-F270 HydrophobicContact CG1-CD2 3.41Å; V210-F270 VanDerWaalsContact CG1-CD2 3.41Å; V210-F270 HydrophobicContact CG1-CE1 4.21Å; V210-F270 HydrophobicContact CG1-CE2 3.84Å; V210-F270 HydrophobicContact CG1-CG 3.4Å; V210-F270 VanDerWaalsContact CG1-CG 3.4Å; V210-F270 HydrophobicContact CG1-CZ 4.22Å; V210-F270 HydrophobicContact CG2-CB 4.28Å; V210-F270 HydrophobicContact CG2-CD1 4.1Å; V210-F270 HydrophobicContact CG2-CG 4.23Å; F270-V294 WeakPolarHBondContact CA-O 3.39Å; F270-V294 HydrophobicContact CD1-CB 3.67Å; F270-V294 HydrophobicContact CD1-CG1 4.18Å; F270-V294 HydrophobicContact CD1-CG2 4.16Å; F270-V294 HydrophobicContact CE1-CB 3.83Å; F270-V294 HydrophobicContact CE1-CG1 4.27Å; F270-V294 HydrophobicContact CE1-CG2 3.8Å; F270-V294 HydrophobicContact CZ-CG2 4.42Å; F270-L296 HydrophobicContact CD1-CD1 4.2Å |
| 271 | E | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 117.5 | 171.8 | -161.1 | -78.3 | 168.1 | 0 | 0 | 109.3 | W201 I273 G274 S275 C278 M279 A282 V294 L296 G297 | W201-E271 HydrophobicContact CB-CG 4.39Å; E271-I273 WeakPolarHBondContact OE1-CA 3.24Å; E271-I273 VanDerWaalsContact OE1-CB 3.23Å; E271-I273 WeakPolarHBondContact OE1-CB 3.27Å; E271-I273 PolarHBondContact OE1-N 3.47Å; E271-I273 PolarHBondContact OE2-N 3.49Å; E271-G274 PolarHBondContact OE1-N 3.44Å; E271-G274 PolarHBondContact OE2-N 3.01Å; E271-G274 VanDerWaalsContact OE2-N 3.09Å; E271-S275 PolarHBondContact OE1-N 3.16Å; E271-C278 HydrophobicContact CG-CB 3.88Å; E271-M279 HydrophobicContact CB-CG 4.05Å; E271-M279 HydrophobicContact CG-CB 4.32Å; E271-M279 HydrophobicContact CG-CG 3.63Å; E271-A282 HydrophobicContact CB-CB 4.49Å; E271-V294 PolarHBondContact N-O 2.96Å; E271-L296 WeakPolarHBondContact O-CA 3.45Å; E271-L296 WeakPolarHBondContact O-CB 3.18Å; E271-L296 PolarHBondContact O-N 3.28Å; E271-G297 PolarHBondContact O-N 3.39Å; E271-G297 WeakPolarHBondContact OE2-CA 3.44Å; E271-G297 PolarHBondContact OE2-N 3.28Å |
| 272 | C | 97.9 | Very high | 97.3 | Very high | 22 Ų | 22 | 30.6 Ų | 30.6 | 15% | 0.149 | 18% | 0.177 | C | C | . | . | trans | -120.6 | 23 | -173.7 | -50.1 | 0 | 0 | 0 | 0 | 112.6 | W201 V206 | W201-C272 WeakPolarHBondContact O-CA 3.25Å; W201-C272 VanDerWaalsContact O-CB 3.22Å; W201-C272 WeakPolarHBondContact O-CB 3.32Å; W201-C272 PolarHBondContact O-N 3.4Å; V206-C272 HydrophobicContact CB-CB 4.3Å; V206-C272 HydrophobicContact CG1-CB 4.04Å | ||
| 273 | I | 94.7 | Very high | 97.4 | Very high | 92 Ų | 92 | 30.1 Ų | 30.1 | 47% | 0.472 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -111.7 | -46.4 | -175.1 | -51 | 166.6 | 0 | 0 | 0 | 110.8 | W201 E271 C278 | W201-I273 HydrophobicContact CB-CD1 4Å; E271-I273 WeakPolarHBondContact OE1-CA 3.24Å; E271-I273 VanDerWaalsContact OE1-CB 3.23Å; E271-I273 WeakPolarHBondContact OE1-CB 3.27Å; E271-I273 PolarHBondContact OE1-N 3.47Å; E271-I273 PolarHBondContact OE2-N 3.49Å; I273-C278 HydrophobicContact CD1-CB 4.43Å |
| 274 | G | 93.7 | Very high | 97.5 | Very high | 17 Ų | 17 | 23.4 Ų | 23.4 | 18% | 0.175 | 14% | 0.138 | C | C | . | . | trans | 100.7 | 19.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E271 A299 | E271-G274 PolarHBondContact OE1-N 3.44Å; E271-G274 PolarHBondContact OE2-N 3.01Å; E271-G274 VanDerWaalsContact OE2-N 3.09Å; G274-A299 WeakPolarHBondContact O-CA 3.42Å | ||
| 275 | S | 95 | Very high | 97.6 | Very high | 37 Ų | 37 | 21.6 Ų | 21.6 | 26% | 0.259 | 12% | 0.12 | S | C | . | . | trans | -99.3 | 117 | 177.6 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | E271 D277 C278 M279 | E271-S275 PolarHBondContact OE1-N 3.16Å; S275-D277 PolarHBondContact O-N 3.07Å; S275-C278 CarbonylContact O-C 3.59Å; S275-C278 WeakPolarHBondContact O-CB 3.3Å; S275-C278 PolarHBondContact O-N 2.94Å; S275-C278 PolarHBondContact OG-N 3.25Å; S275-M279 VanDerWaalsContact O-CG 3.3Å; S275-M279 WeakPolarHBondContact O-CG 3.27Å; S275-M279 PolarHBondContact O-N 3.1Å | ||
| 276 | V | 97 | Very high | 97.5 | Very high | 27 Ų | 27 | 21.6 Ų | 21.6 | 16% | 0.164 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.8 | -27.7 | 179 | -65.5 | 0 | 0 | 0 | 0 | 113.2 | M279 R280 A299 K303 I305 | V276-M279 HydrophobicContact CG1-SD 4.25Å; V276-M279 PolarHBondContact O-N 2.82Å; V276-R280 PolarHBondContact O-N 2.85Å; V276-A299 HydrophobicContact CG1-CB 3.97Å; V276-K303 HydrophobicContact CG1-CB 3.78Å; V276-I305 HydrophobicContact CB-CG2 4.27Å; V276-I305 HydrophobicContact CG1-CG2 3.97Å |
| 277 | D | 96.6 | Very high | 97.5 | Very high | 105 Ų | 105 | 23.6 Ų | 23.6 | 56% | 0.561 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -70.1 | -40.8 | 174.3 | -70.5 | -45.2 | 0 | 0 | 0 | 111.7 | S275 L281 | S275-D277 PolarHBondContact O-N 3.07Å; D277-L281 WeakPolarHBondContact O-CB 3.42Å; D277-L281 PolarHBondContact O-N 2.82Å |
| 278 | C | 97.6 | Very high | 97.5 | Very high | 30 Ų | 30 | 28.8 Ų | 28.8 | 20% | 0.203 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.5 | -37.9 | 173.2 | -65.8 | 0 | 0 | 0 | 0 | 111.2 | W201 E271 I273 S275 R280 L281 A282 | W201-C278 HydrophobicContact CG-CB 4.44Å; E271-C278 HydrophobicContact CG-CB 3.88Å; I273-C278 HydrophobicContact CD1-CB 4.43Å; S275-C278 CarbonylContact O-C 3.59Å; S275-C278 WeakPolarHBondContact O-CB 3.3Å; S275-C278 PolarHBondContact O-N 2.94Å; S275-C278 PolarHBondContact OG-N 3.25Å; C278-R280 VanDerWaalsContact C-N 3.32Å; C278-R280 PolarHBondContact O-N 3.14Å; C278-L281 PolarHBondContact O-N 3.47Å; C278-A282 VanDerWaalsContact O-CB 3.26Å; C278-A282 WeakPolarHBondContact O-CB 3.28Å; C278-A282 PolarHBondContact O-N 2.8Å |
| 279 | M | 98.5 | Very high | 97.5 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.025 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61 | -44 | 176.9 | -66.9 | 173.2 | -171.1 | 0 | 0 | 110.9 | E271 S275 V276 L283 I295 G297 A299 I305 W318 | E271-M279 HydrophobicContact CB-CG 4.05Å; E271-M279 HydrophobicContact CG-CB 4.32Å; E271-M279 HydrophobicContact CG-CG 3.63Å; S275-M279 VanDerWaalsContact O-CG 3.3Å; S275-M279 WeakPolarHBondContact O-CG 3.27Å; S275-M279 PolarHBondContact O-N 3.1Å; V276-M279 HydrophobicContact CG1-SD 4.25Å; V276-M279 PolarHBondContact O-N 2.82Å; M279-L283 PolarHBondContact O-N 2.84Å; M279-I295 HydrophobicContact CB-CD1 4.3Å; M279-I295 HydrophobicContact CB-CG1 4.31Å; M279-I295 HydrophobicContact CE-CG2 3.6Å; M279-I295 HydrophobicContact CG-CD1 4.27Å; M279-I295 HydrophobicContact CG-CG1 4.06Å; M279-I295 HydrophobicContact CG-CG2 4.16Å; M279-I295 HydrophobicContact SD-CD1 4.02Å; M279-I295 HydrophobicContact SD-CG1 4.26Å; M279-I295 HydrophobicContact SD-CG2 3.75Å; M279-G297 VanDerWaalsContact CE-O 3.27Å; M279-G297 WeakPolarHBondContact CE-O 3.29Å; M279-A299 HydrophobicContact CE-CB 4.04Å; M279-I305 HydrophobicContact CB-CG2 4.06Å; M279-I305 HydrophobicContact CG-CG2 4.47Å; M279-I305 HydrophobicContact SD-CG2 3.54Å; M279-I305 VanDerWaalsContact SD-CG2 3.54Å; M279-W318 HydrophobicContact CB-CZ2 4.15Å; M279-W318 WeakPolarHBondContact O-CZ2 3.38Å |
| 280 | R | 98.4 | Very high | 97.4 | Very high | 73 Ų | 73 | 37.2 Ų | 37.2 | 28% | 0.275 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62 | -50.8 | 174.5 | 174.2 | 177.6 | 177.5 | 169.2 | -2.4 | 111.2 | V276 C278 A282 L283 E284 S306 | V276-R280 PolarHBondContact O-N 2.85Å; C278-R280 VanDerWaalsContact C-N 3.32Å; C278-R280 PolarHBondContact O-N 3.14Å; R280-A282 VanDerWaalsContact C-N 3.31Å; R280-A282 PolarHBondContact O-N 2.97Å; R280-L283 PolarHBondContact O-N 2.81Å; R280-E284 HydrophobicContact CG-CG 4.28Å; R280-E284 IonicContact CZ-OE1 2.67Å; R280-E284 IonicContact NE-OE1 2.82Å; R280-E284 PolarHBondContact NE-OE1 2.81Å; R280-E284 IonicContact NE-OE2 2.8Å; R280-E284 PolarHBondContact NE-OE2 2.88Å; R280-E284 IonicContact NH2-OE1 3.19Å; R280-E284 PolarHBondContact NH2-OE1 2.99Å; R280-E284 WeakPolarHBondContact O-CG 3.42Å; R280-E284 PolarHBondContact O-N 2.95Å; R280-S306 WeakPolarHBondContact CD-O 3.35Å; R280-S306 WeakPolarHBondContact CG-O 3.36Å |
| 281 | L | 98.1 | Very high | 97.4 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -41.5 | -178.3 | -178 | 61.7 | 0 | 0 | 0 | 111.5 | W201 L254 Q255 D277 C278 L283 E284 C285 | W201-L281 HydrophobicContact CZ2-CD2 4.29Å; W201-L281 HydrophobicContact CZ2-CG 4.08Å; L254-L281 HydrophobicContact CD2-CD2 3.54Å; L254-L281 HydrophobicContact CG-CD2 4.13Å; Q255-L281 HydrophobicContact CB-CD1 3.7Å; Q255-L281 HydrophobicContact CG-CD1 3.89Å; D277-L281 WeakPolarHBondContact O-CB 3.42Å; D277-L281 PolarHBondContact O-N 2.82Å; C278-L281 PolarHBondContact O-N 3.47Å; L281-L283 VanDerWaalsContact C-N 3.31Å; L281-L283 PolarHBondContact O-N 2.89Å; L281-E284 PolarHBondContact O-N 2.77Å; L281-E284 VanDerWaalsContact O-N 3.12Å; L281-C285 WeakPolarHBondContact O-CB 3.49Å; L281-C285 PolarHBondContact O-N 2.84Å; L281-C285 PolarHBondContact O-SG 3.05Å; L281-C285 VanDerWaalsContact O-SG 3.37Å |
| 282 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.3 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | W201 T269 E271 C278 R280 C286 | W201-A282 HydrophobicContact CD2-CB 4.13Å; W201-A282 HydrophobicContact CE3-CB 3.68Å; W201-A282 HydrophobicContact CH2-CB 4.11Å; W201-A282 HydrophobicContact CZ2-CB 4.47Å; W201-A282 HydrophobicContact CZ3-CB 3.69Å; T269-A282 WeakPolarHBondContact CB-O 3.37Å; T269-A282 VanDerWaalsContact CG2-O 3.28Å; T269-A282 WeakPolarHBondContact CG2-O 3.43Å; T269-A282 VanDerWaalsContact OG1-C 3.26Å; T269-A282 PolarHBondContact OG1-O 2.9Å; E271-A282 HydrophobicContact CB-CB 4.49Å; C278-A282 VanDerWaalsContact O-CB 3.26Å; C278-A282 WeakPolarHBondContact O-CB 3.28Å; C278-A282 PolarHBondContact O-N 2.8Å; R280-A282 VanDerWaalsContact C-N 3.31Å; R280-A282 PolarHBondContact O-N 2.97Å; A282-C286 PolarHBondContact O-N 2.75Å |
| 283 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.9 | -45.5 | 173.4 | 177.1 | 70 | 0 | 0 | 0 | 112 | M279 R280 L281 C285 C286 S293 T307 L312 R316 W318 | M279-L283 PolarHBondContact O-N 2.84Å; R280-L283 PolarHBondContact O-N 2.81Å; L281-L283 VanDerWaalsContact C-N 3.31Å; L281-L283 PolarHBondContact O-N 2.89Å; L283-C285 PolarHBondContact O-N 2.87Å; L283-C286 WeakPolarHBondContact O-CB 3.39Å; L283-C286 PolarHBondContact O-N 3.03Å; L283-C286 VanDerWaalsContact O-N 3.1Å; L283-S293 PolarHBondContact N-OG 3.09Å; L283-T307 HydrophobicContact CD2-CG2 3.65Å; L283-L312 HydrophobicContact CD1-CD2 4.16Å; L283-L312 HydrophobicContact CD2-CD2 4.07Å; L283-R316 HydrophobicContact CD1-CB 3.99Å; L283-R316 VanDerWaalsContact O-CD 3.25Å; L283-R316 WeakPolarHBondContact O-CD 3.35Å; L283-R316 PolarHBondContact O-NE 3.04Å; L283-W318 HydrophobicContact CB-CD2 4.38Å; L283-W318 HydrophobicContact CB-CZ2 4.29Å; L283-W318 HydrophobicContact CD1-CB 3.97Å; L283-W318 HydrophobicContact CD1-CD2 4.44Å; L283-W318 HydrophobicContact CD1-CG 4.01Å; L283-W318 HydrophobicContact CD2-CB 4.39Å; L283-W318 HydrophobicContact CD2-CD2 3.65Å; L283-W318 HydrophobicContact CD2-CE3 3.57Å; L283-W318 HydrophobicContact CD2-CG 4.08Å; L283-W318 HydrophobicContact CD2-CH2 4.19Å; L283-W318 HydrophobicContact CD2-CZ2 4.33Å; L283-W318 HydrophobicContact CD2-CZ3 3.85Å; L283-W318 HydrophobicContact CG-CD2 4.37Å; L283-W318 HydrophobicContact CG-CG 4.44Å |
| 284 | E | 98.5 | Very high | 97.6 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 3% | 0.028 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.2 | -22.1 | -175.1 | -65.7 | -179.3 | 170.7 | 0 | 0 | 112.5 | R280 L281 T307 Y311 | R280-E284 HydrophobicContact CG-CG 4.28Å; R280-E284 IonicContact CZ-OE1 2.67Å; R280-E284 IonicContact NE-OE1 2.82Å; R280-E284 PolarHBondContact NE-OE1 2.81Å; R280-E284 IonicContact NE-OE2 2.8Å; R280-E284 PolarHBondContact NE-OE2 2.88Å; R280-E284 IonicContact NH2-OE1 3.19Å; R280-E284 PolarHBondContact NH2-OE1 2.99Å; R280-E284 WeakPolarHBondContact O-CG 3.42Å; R280-E284 PolarHBondContact O-N 2.95Å; L281-E284 PolarHBondContact O-N 2.77Å; L281-E284 VanDerWaalsContact O-N 3.12Å; E284-T307 PolarHBondContact OE1-OG1 3.11Å; E284-Y311 HydrophobicContact CB-CD1 4.31Å; E284-Y311 HydrophobicContact CB-CE1 3.76Å; E284-Y311 HydrophobicContact CB-CE2 4.31Å; E284-Y311 HydrophobicContact CG-CD1 4.13Å; E284-Y311 HydrophobicContact CG-CD2 3.93Å; E284-Y311 HydrophobicContact CG-CE1 3.87Å; E284-Y311 HydrophobicContact CG-CE2 3.61Å; E284-Y311 HydrophobicContact CG-CG 4.18Å |
| 285 | C | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -5.2 | 171 | -67.5 | 0 | 0 | 0 | 0 | 114.4 | W201 G265 F266 L281 L283 | W201-C285 HydrophobicContact CH2-CB 4.01Å; G265-C285 CarbonylContact C-O 3.48Å; G265-C285 WeakPolarHBondContact CA-O 3.35Å; F266-C285 HydrophobicContact CD2-CB 4.25Å; F266-C285 PolarHBondContact N-O 2.86Å; L281-C285 WeakPolarHBondContact O-CB 3.49Å; L281-C285 PolarHBondContact O-N 2.84Å; L281-C285 PolarHBondContact O-SG 3.05Å; L281-C285 VanDerWaalsContact O-SG 3.37Å; L283-C285 PolarHBondContact O-N 2.87Å |
| 286 | C | 97.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -66 | 153.5 | 171 | -80.6 | 0 | 0 | 0 | 0 | 111.2 | F266 T269 A282 L283 K288 V292 R316 | F266-C286 CarbonylContact O-C 3.57Å; F266-C286 VanDerWaalsContact O-CA 3.29Å; F266-C286 WeakPolarHBondContact O-CA 3.39Å; T269-C286 VanDerWaalsContact CG2-SG 3.56Å; T269-C286 PolarHBondContact OG1-SG 2.96Å; A282-C286 PolarHBondContact O-N 2.75Å; L283-C286 WeakPolarHBondContact O-CB 3.39Å; L283-C286 PolarHBondContact O-N 3.03Å; L283-C286 VanDerWaalsContact O-N 3.1Å; C286-K288 PolarHBondContact O-N 3.11Å; C286-V292 VanDerWaalsContact SG-C 3.53Å; C286-R316 HydrophobicContact CB-CG 4.14Å; C286-R316 PolarHBondContact O-NE 3.41Å; C286-R316 PolarHBondContact O-NH2 3.11Å |
| 287 | H | 98 | Very high | 97.8 | Very high | 41 Ų | 41 | 31.3 Ų | 31.3 | 19% | 0.19 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 134.8 | 177.1 | -157.7 | -69.5 | 0 | 0 | 0 | 110.7 | G265 F266 G289 W290 G291 | G265-H287 WeakPolarHBondContact O-CB 3.32Å; G265-H287 PolarHBondContact O-CD2 2.96Å; G265-H287 VanDerWaalsContact O-CD2 3.24Å; F266-H287 PolarHBondContact O-N 3.45Å; H287-G289 PolarHBondContact O-N 3.38Å; H287-W290 HydrophobicContact CB-CZ2 4.36Å; H287-W290 AromaticContact CD2-CZ2 3.74Å; H287-W290 AromaticContact CE1-CH2 3.14Å; H287-W290 WeakPolarHBondContact CE1-CH2 3.29Å; H287-W290 AromaticContact CE1-CZ2 3.23Å; H287-W290 WeakPolarHBondContact CE1-CZ2 3.28Å; H287-W290 AromaticContact CE1-CZ3 3.89Å; H287-W290 AromaticContact CG-CE2 3.69Å; H287-W290 AromaticContact CG-CZ2 3.52Å; H287-W290 AromaticContact CG-NE1 3.93Å; H287-W290 AromaticContact ND1-CE2 3.52Å; H287-W290 AromaticContact ND1-CH2 3.38Å; H287-W290 WeakPolarHBondContact ND1-CH2 3.33Å; H287-W290 AromaticContact ND1-CZ2 3.18Å; H287-W290 WeakPolarHBondContact ND1-CZ2 3.37Å; H287-W290 AromaticContact ND1-CZ3 3.86Å; H287-W290 AromaticContact NE2-CH2 3.81Å; H287-W290 AromaticContact NE2-CZ2 3.58Å; H287-G291 WeakPolarHBondContact O-CA 3.41Å; H287-G291 PolarHBondContact O-N 2.73Å |
| 288 | K | 98.1 | Very high | 97.4 | Very high | 134 Ų | 134 | 31.5 Ų | 31.5 | 58% | 0.583 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 136.2 | 171.6 | 175.5 | -174.5 | 150.2 | -168 | 0 | 109.5 | C286 | C286-K288 PolarHBondContact O-N 3.11Š|
| 289 | G | 98 | Very high | 97.1 | Very high | 42 Ų | 42 | 31.5 Ų | 31.5 | 43% | 0.433 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 102.6 | -44.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | H287 T314 G315 | H287-G289 PolarHBondContact O-N 3.38Å; G289-T314 VanDerWaalsContact CA-O 3.23Å; G289-T314 WeakPolarHBondContact CA-O 3.42Å; G289-T314 PolarHBondContact N-O 2.99Å; G289-G315 CarbonylContact C-O 3.36Å; G289-G315 CarbonylContact O-C 3.57Å; G289-G315 WeakPolarHBondContact O-CA 3.38Å; G289-G315 VanDerWaalsContact O-O 3.14Å |
| 290 | W | 96.8 | Very high | 96.4 | Very high | 143 Ų | 143 | 32.5 Ų | 32.5 | 54% | 0.542 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -140 | -11.3 | -173.6 | 57.8 | 87.5 | 0 | 0 | 0 | 115.5 | D267 H287 | D267-W290 PolarHBondContact OD1-NE1 3.16Å; H287-W290 HydrophobicContact CB-CZ2 4.36Å; H287-W290 AromaticContact CD2-CZ2 3.74Å; H287-W290 AromaticContact CE1-CH2 3.14Å; H287-W290 WeakPolarHBondContact CE1-CH2 3.29Å; H287-W290 AromaticContact CE1-CZ2 3.23Å; H287-W290 WeakPolarHBondContact CE1-CZ2 3.28Å; H287-W290 AromaticContact CE1-CZ3 3.89Å; H287-W290 AromaticContact CG-CE2 3.69Å; H287-W290 AromaticContact CG-CZ2 3.52Å; H287-W290 AromaticContact CG-NE1 3.93Å; H287-W290 AromaticContact ND1-CE2 3.52Å; H287-W290 AromaticContact ND1-CH2 3.38Å; H287-W290 WeakPolarHBondContact ND1-CH2 3.33Å; H287-W290 AromaticContact ND1-CZ2 3.18Å; H287-W290 WeakPolarHBondContact ND1-CZ2 3.37Å; H287-W290 AromaticContact ND1-CZ3 3.86Å; H287-W290 AromaticContact NE2-CH2 3.81Å; H287-W290 AromaticContact NE2-CZ2 3.58Å |
| 291 | G | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -62.8 | 141.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D267 H287 R316 T317 | D267-G291 CarbonylContact O-C 3.47Å; D267-G291 VanDerWaalsContact O-CA 3.29Å; D267-G291 WeakPolarHBondContact O-CA 3.43Å; H287-G291 WeakPolarHBondContact O-CA 3.41Å; H287-G291 PolarHBondContact O-N 2.73Å; G291-R316 CarbonylContact O-C 3.57Å; G291-R316 VanDerWaalsContact O-CA 3.27Å; G291-R316 WeakPolarHBondContact O-CA 3.25Å; G291-T317 PolarHBondContact O-N 3.16Å | ||
| 292 | V | 98 | Very high | 95.2 | Very high | 9 Ų | 9 | 35.4 Ų | 35.4 | 6% | 0.055 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 120.1 | -176 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | D267 Y268 T269 C286 V294 T317 K319 | D267-V292 PolarHBondContact O-N 2.88Å; Y268-V292 WeakPolarHBondContact CA-O 3.36Å; Y268-V292 HydrophobicContact CD1-CB 3.83Å; Y268-V292 HydrophobicContact CD1-CG2 4.36Å; Y268-V292 HydrophobicContact CE1-CB 4.01Å; Y268-V292 HydrophobicContact CE1-CG2 4.02Å; T269-V292 PolarHBondContact N-O 3.44Å; C286-V292 VanDerWaalsContact SG-C 3.53Å; V292-V294 HydrophobicContact CG1-CG2 4.19Å; V292-T317 WeakPolarHBondContact CA-O 3.3Å; V292-K319 HydrophobicContact CG1-CD 3.9Å; V292-K319 HydrophobicContact CG1-CG 4.16Å |
| 293 | S | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 128.1 | 174 | -168.1 | 0 | 0 | 0 | 0 | 110.9 | T269 L283 T317 K319 | T269-S293 CarbonylContact O-C 3.5Å; T269-S293 WeakPolarHBondContact O-CA 3.41Å; T269-S293 WeakPolarHBondContact OG1-CA 3.23Å; T269-S293 WeakPolarHBondContact OG1-CB 3.48Å; T269-S293 PolarHBondContact OG1-OG 2.91Å; L283-S293 PolarHBondContact N-OG 3.09Å; S293-T317 PolarHBondContact N-O 2.8Å; S293-K319 PolarHBondContact O-N 3Å |
| 294 | V | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 117.1 | -177.7 | -172.8 | 0 | 0 | 0 | 0 | 110.1 | T188 A189 T269 F270 E271 V292 L296 K319 A321 | T188-V294 HydrophobicContact CG2-CG1 4.03Å; A189-V294 HydrophobicContact CB-CG2 4.49Å; T269-V294 PolarHBondContact O-N 2.76Å; F270-V294 WeakPolarHBondContact CA-O 3.39Å; F270-V294 HydrophobicContact CD1-CB 3.67Å; F270-V294 HydrophobicContact CD1-CG1 4.18Å; F270-V294 HydrophobicContact CD1-CG2 4.16Å; F270-V294 HydrophobicContact CE1-CB 3.83Å; F270-V294 HydrophobicContact CE1-CG1 4.27Å; F270-V294 HydrophobicContact CE1-CG2 3.8Å; F270-V294 HydrophobicContact CZ-CG2 4.42Å; E271-V294 PolarHBondContact N-O 2.96Å; V292-V294 HydrophobicContact CG1-CG2 4.19Å; V294-L296 HydrophobicContact CG1-CD2 3.93Å; V294-L296 HydrophobicContact CG1-CG 4.3Å; V294-K319 CarbonylContact C-O 3.58Å; V294-K319 VanDerWaalsContact CA-O 3.32Å; V294-K319 WeakPolarHBondContact CA-O 3.48Å; V294-K319 HydrophobicContact CG2-CD 4.37Å; V294-K319 HydrophobicContact CG2-CG 4.06Å; V294-A321 HydrophobicContact CG1-CB 4.33Å |
| 295 | I | 98.4 | Very high | 94.8 | Very high | 30 Ų | 30 | 53.3 Ų | 53.3 | 15% | 0.154 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 123.8 | 173.4 | -60.6 | 168.3 | 0 | 0 | 0 | 109.4 | M279 I305 W318 K319 G320 A321 | M279-I295 HydrophobicContact CB-CD1 4.3Å; M279-I295 HydrophobicContact CB-CG1 4.31Å; M279-I295 HydrophobicContact CE-CG2 3.6Å; M279-I295 HydrophobicContact CG-CD1 4.27Å; M279-I295 HydrophobicContact CG-CG1 4.06Å; M279-I295 HydrophobicContact CG-CG2 4.16Å; M279-I295 HydrophobicContact SD-CD1 4.02Å; M279-I295 HydrophobicContact SD-CG1 4.26Å; M279-I295 HydrophobicContact SD-CG2 3.75Å; I295-I305 HydrophobicContact CD1-CD1 3.88Å; I295-I305 HydrophobicContact CD1-CG2 4.39Å; I295-W318 HydrophobicContact CD1-CZ2 4.18Å; I295-K319 PolarHBondContact N-O 2.84Å; I295-G320 VanDerWaalsContact O-CA 3.24Å; I295-G320 WeakPolarHBondContact O-CA 3.23Å; I295-A321 PolarHBondContact O-N 3.4Å |
| 296 | L | 97.4 | Very high | 94.8 | Very high | 19 Ų | 19 | 56.6 Ų | 56.6 | 10% | 0.099 | 33% | 0.331 | C | S | . | . | trans | -119.5 | -32.6 | 174.1 | -56.5 | 176.7 | 0 | 0 | 0 | 112.1 | T180 A184 V206 V210 F270 E271 V294 A321 | T180-L296 HydrophobicContact CG2-CD2 4.46Å; A184-L296 HydrophobicContact CB-CD1 3.51Å; A184-L296 HydrophobicContact CB-CD2 3.52Å; A184-L296 HydrophobicContact CB-CG 4.09Å; V206-L296 HydrophobicContact CG1-CB 4.1Å; V206-L296 HydrophobicContact CG1-CD1 3.82Å; V210-L296 HydrophobicContact CG2-CD1 3.54Å; F270-L296 HydrophobicContact CD1-CD1 4.2Å; E271-L296 WeakPolarHBondContact O-CA 3.45Å; E271-L296 WeakPolarHBondContact O-CB 3.18Å; E271-L296 PolarHBondContact O-N 3.28Å; V294-L296 HydrophobicContact CG1-CD2 3.93Å; V294-L296 HydrophobicContact CG1-CG 4.3Å; L296-A321 HydrophobicContact CD2-CB 3.5Å; L296-A321 VanDerWaalsContact CD2-CB 3.5Å | ||
| 297 | G | 93.7 | Very high | 94.8 | Very high | 12 Ų | 12 | 58.1 Ų | 58.1 | 12% | 0.124 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -63.4 | 140.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E271 M279 | E271-G297 PolarHBondContact O-N 3.39Å; E271-G297 WeakPolarHBondContact OE2-CA 3.44Å; E271-G297 PolarHBondContact OE2-N 3.28Å; M279-G297 VanDerWaalsContact CE-O 3.27Å; M279-G297 WeakPolarHBondContact CE-O 3.29Å |
| 298 | V | 90 | Very high | 94.8 | Very high | 109 Ų | 109 | 64.5 Ų | 64.5 | 66% | 0.661 | 36% | 0.363 | S | S | * | . | trans | -92.7 | 114 | 178.8 | -177.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 299 | A | 89.9 | Confident | 94.9 | Very high | 31 Ų | 31 | 62.8 Ų | 62.8 | 26% | 0.256 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 155.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | G274 V276 M279 K303 | G274-A299 WeakPolarHBondContact O-CA 3.42Å; V276-A299 HydrophobicContact CG1-CB 3.97Å; M279-A299 HydrophobicContact CE-CB 4.04Å; A299-K303 HydrophobicContact CB-CB 4.2Å |
| 300 | G | 83.9 | Confident | 94.9 | Very high | 26 Ų | 26 | 67.4 Ų | 67.4 | 27% | 0.268 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 153.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y52 G302 K303 | Y52-G300 WeakPolarHBondContact OH-CA 3.21Å; G300-G302 PolarHBondContact O-N 2.98Å; G300-K303 VanDerWaalsContact O-CB 3.25Å; G300-K303 WeakPolarHBondContact O-CB 3.4Å; G300-K303 VanDerWaalsContact O-CG 3.26Å; G300-K303 WeakPolarHBondContact O-CG 3.3Å; G300-K303 PolarHBondContact O-N 3.27Å; G300-K303 VanDerWaalsContact O-N 3.11Å |
| 301 | A | 83 | Confident | 94.9 | Very high | 60 Ų | 60 | 63 Ų | 63 | 50% | 0.496 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 134.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y52 P59 K303 | Y52-A301 PolarHBondContact OH-N 2.9Å; P59-A301 HydrophobicContact CB-CB 4.11Å; P59-A301 HydrophobicContact CG-CB 3.85Å; A301-K303 PolarHBondContact O-N 2.91Å |
| 302 | G | 88.4 | Confident | 95 | Very high | 81 Ų | 81 | 66.5 Ų | 66.5 | 84% | 0.835 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 4.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | G300 | G300-G302 PolarHBondContact O-N 2.98Š|
| 303 | K | 92.3 | Very high | 95 | Very high | 141 Ų | 141 | 71.6 Ų | 71.6 | 61% | 0.613 | 41% | 0.407 | S | S | * | . | trans | -76.3 | 141.4 | 172.8 | -64 | -66.3 | -174.1 | 177.2 | 0 | 110.3 | V276 A299 G300 A301 | V276-K303 HydrophobicContact CG1-CB 3.78Å; A299-K303 HydrophobicContact CB-CB 4.2Å; G300-K303 VanDerWaalsContact O-CB 3.25Å; G300-K303 WeakPolarHBondContact O-CB 3.4Å; G300-K303 VanDerWaalsContact O-CG 3.26Å; G300-K303 WeakPolarHBondContact O-CG 3.3Å; G300-K303 PolarHBondContact O-N 3.27Å; G300-K303 VanDerWaalsContact O-N 3.11Å; A301-K303 PolarHBondContact O-N 2.91Å | ||
| 304 | E | 97.2 | Very high | 95 | Very high | 165 Ų | 165 | 73 Ų | 73 | 77% | 0.771 | 42% | 0.415 | S | S | * | . | trans | -120.7 | 140.5 | -178.9 | -64 | -175.8 | 164.5 | 0 | 0 | 110.4 | ||||
| 305 | I | 97.8 | Very high | 95 | Very high | 77 Ų | 77 | 74.3 Ų | 74.3 | 40% | 0.395 | 43% | 0.429 | S | S | . | . | trans | -85.5 | 142.9 | 168.8 | 59.1 | 175.6 | 0 | 0 | 0 | 109.6 | V276 M279 I295 W318 | V276-I305 HydrophobicContact CB-CG2 4.27Å; V276-I305 HydrophobicContact CG1-CG2 3.97Å; M279-I305 HydrophobicContact CB-CG2 4.06Å; M279-I305 HydrophobicContact CG-CG2 4.47Å; M279-I305 HydrophobicContact SD-CG2 3.54Å; M279-I305 VanDerWaalsContact SD-CG2 3.54Å; I295-I305 HydrophobicContact CD1-CD1 3.88Å; I295-I305 HydrophobicContact CD1-CG2 4.39Å; I305-W318 HydrophobicContact CB-CH2 3.53Å; I305-W318 HydrophobicContact CB-CZ2 3.95Å; I305-W318 HydrophobicContact CB-CZ3 4.12Å; I305-W318 HydrophobicContact CD1-CD2 4.17Å; I305-W318 HydrophobicContact CD1-CE3 3.96Å; I305-W318 HydrophobicContact CD1-CH2 3.82Å; I305-W318 HydrophobicContact CD1-CZ2 3.94Å; I305-W318 HydrophobicContact CD1-CZ3 3.8Å; I305-W318 HydrophobicContact CG1-CH2 3.94Å; I305-W318 HydrophobicContact CG1-CZ2 4.42Å; I305-W318 HydrophobicContact CG1-CZ3 4.04Å; I305-W318 HydrophobicContact CG2-CH2 4.32Å; I305-W318 HydrophobicContact CG2-CZ2 4.27Å | ||
| 306 | S | 98.1 | Very high | 95 | Very high | 69 Ų | 69 | 74 Ų | 74 | 48% | 0.483 | 43% | 0.426 | S | S | . | . | trans | -144.2 | 151.5 | 177.4 | 63.2 | 0 | 0 | 0 | 0 | 111.5 | R280 | R280-S306 WeakPolarHBondContact CD-O 3.35Å; R280-S306 WeakPolarHBondContact CG-O 3.36Å | ||
| 307 | T | 98.4 | Very high | 95 | Very high | 31 Ų | 31 | 76 Ų | 76 | 19% | 0.19 | 44% | 0.439 | C | S | . | . | trans | -158.4 | 170.7 | 170.3 | -170.1 | 0 | 0 | 0 | 0 | 109.1 | L283 E284 Y311 W318 | L283-T307 HydrophobicContact CD2-CG2 3.65Å; E284-T307 PolarHBondContact OE1-OG1 3.11Å; T307-Y311 WeakPolarHBondContact OG1-CD2 3.34Å; T307-W318 HydrophobicContact CG2-CZ3 4.09Å | ||
| 308 | R | 98.1 | Very high | 95.2 | Very high | 176 Ų | 176 | 78.1 Ų | 78.1 | 66% | 0.664 | 44% | 0.443 | S | S | * | . | trans | -73.6 | 129.3 | 169.4 | -63.8 | -176.4 | 70.1 | -174.8 | 1.1 | 108.9 | F310 Y311 | R308-F310 PolarHBondContact O-N 2.84Å; R308-Y311 HydrophobicContact CB-CD2 4.12Å; R308-Y311 HydrophobicContact CB-CE2 4.5Å; R308-Y311 PolarHBondContact O-N 3.44Å | ||
| 309 | P | 98.4 | Very high | 95.5 | Very high | 97 Ų | 97 | 76.5 Ų | 76.5 | 63% | 0.63 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -26.2 | -179.3 | -28.5 | 34.8 | 0 | 0 | 0 | 114.2 | Y311 L312 V313 | P309-Y311 PolarHBondContact O-N 2.94Å; P309-L312 PolarHBondContact O-N 3.39Å; P309-V313 WeakPolarHBondContact O-CG2 3.42Å; P309-V313 PolarHBondContact O-N 2.91Å |
| 310 | F | 98.3 | Very high | 95.9 | Very high | 139 Ų | 139 | 77.3 Ų | 77.3 | 61% | 0.61 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -56.6 | -30.8 | 176.5 | -167.3 | -107.1 | 0 | 0 | 0 | 113.7 | R308 L312 V313 T314 | R308-F310 PolarHBondContact O-N 2.84Å; F310-L312 VanDerWaalsContact C-N 3.28Å; F310-L312 PolarHBondContact O-N 2.83Å; F310-V313 PolarHBondContact O-N 3.39Å; F310-T314 HydrophobicContact CD1-CG2 3.93Å; F310-T314 HydrophobicContact CD2-CG2 4.2Å; F310-T314 HydrophobicContact CE1-CG2 3.51Å; F310-T314 HydrophobicContact CE2-CG2 3.8Å; F310-T314 HydrophobicContact CG-CG2 4.27Å; F310-T314 HydrophobicContact CZ-CG2 3.44Å; F310-T314 VanDerWaalsContact CZ-CG2 3.44Å; F310-T314 WeakPolarHBondContact O-CB 3.47Å; F310-T314 WeakPolarHBondContact O-CG2 3.27Å; F310-T314 PolarHBondContact O-N 3.11Å; F310-T314 PolarHBondContact O-OG1 3.23Å |
| 311 | Y | 98.2 | Very high | 96.4 | Very high | 51 Ų | 51 | 77.3 Ų | 77.3 | 20% | 0.2 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.8 | -38.5 | 174.3 | -82.5 | -80 | 0 | 0 | 0 | 112.2 | Q255 E284 T307 R308 P309 T314 R316 | Q255-Y311 PolarHBondContact NE2-OH 2.74Å; E284-Y311 HydrophobicContact CB-CD1 4.31Å; E284-Y311 HydrophobicContact CB-CE1 3.76Å; E284-Y311 HydrophobicContact CB-CE2 4.31Å; E284-Y311 HydrophobicContact CG-CD1 4.13Å; E284-Y311 HydrophobicContact CG-CD2 3.93Å; E284-Y311 HydrophobicContact CG-CE1 3.87Å; E284-Y311 HydrophobicContact CG-CE2 3.61Å; E284-Y311 HydrophobicContact CG-CG 4.18Å; T307-Y311 WeakPolarHBondContact OG1-CD2 3.34Å; R308-Y311 HydrophobicContact CB-CD2 4.12Å; R308-Y311 HydrophobicContact CB-CE2 4.5Å; R308-Y311 PolarHBondContact O-N 3.44Å; P309-Y311 PolarHBondContact O-N 2.94Å; Y311-T314 PolarHBondContact O-OG1 2.86Å; Y311-R316 WeakPolarHBondContact O-CB 3.45Å; Y311-R316 WeakPolarHBondContact O-CG 3.24Å; Y311-R316 PolarHBondContact O-N 3.49Å |
| 312 | L | 98.6 | Very high | 97 | Very high | 73 Ų | 73 | 76.2 Ų | 76.2 | 38% | 0.382 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -80.6 | -42.3 | 177.9 | -58 | 179.8 | 0 | 0 | 0 | 111.7 | L283 P309 F310 T314 G315 W318 | L283-L312 HydrophobicContact CD1-CD2 4.16Å; L283-L312 HydrophobicContact CD2-CD2 4.07Å; P309-L312 PolarHBondContact O-N 3.39Å; F310-L312 VanDerWaalsContact C-N 3.28Å; F310-L312 PolarHBondContact O-N 2.83Å; L312-T314 PolarHBondContact O-N 2.95Å; L312-G315 PolarHBondContact O-N 2.9Å; L312-W318 HydrophobicContact CD2-CB 4.22Å |
| 313 | V | 98.4 | Very high | 97.4 | Very high | 117 Ų | 117 | 72.5 Ų | 72.5 | 71% | 0.709 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -56.3 | -34.6 | 175 | 171.1 | 0 | 0 | 0 | 0 | 111 | P309 F310 G315 | P309-V313 WeakPolarHBondContact O-CG2 3.42Å; P309-V313 PolarHBondContact O-N 2.91Å; F310-V313 PolarHBondContact O-N 3.39Å; V313-G315 PolarHBondContact O-N 3.31Å |
| 314 | T | 98.4 | Very high | 97.6 | Very high | 29 Ų | 29 | 65.8 Ų | 65.8 | 18% | 0.178 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 21 | 176.9 | 56.8 | 0 | 0 | 0 | 0 | 114.2 | G289 F310 Y311 L312 R316 | G289-T314 VanDerWaalsContact CA-O 3.23Å; G289-T314 WeakPolarHBondContact CA-O 3.42Å; G289-T314 PolarHBondContact N-O 2.99Å; F310-T314 HydrophobicContact CD1-CG2 3.93Å; F310-T314 HydrophobicContact CD2-CG2 4.2Å; F310-T314 HydrophobicContact CE1-CG2 3.51Å; F310-T314 HydrophobicContact CE2-CG2 3.8Å; F310-T314 HydrophobicContact CG-CG2 4.27Å; F310-T314 HydrophobicContact CZ-CG2 3.44Å; F310-T314 VanDerWaalsContact CZ-CG2 3.44Å; F310-T314 WeakPolarHBondContact O-CB 3.47Å; F310-T314 WeakPolarHBondContact O-CG2 3.27Å; F310-T314 PolarHBondContact O-N 3.11Å; F310-T314 PolarHBondContact O-OG1 3.23Å; Y311-T314 PolarHBondContact O-OG1 2.86Å; L312-T314 PolarHBondContact O-N 2.95Å; T314-R316 PolarHBondContact OG1-NH1 3.24Å |
| 315 | G | 98 | Very high | 97.6 | Very high | 28 Ų | 28 | 59.4 Ų | 59.4 | 29% | 0.289 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.5 | 1.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | G289 L312 V313 | G289-G315 CarbonylContact C-O 3.36Å; G289-G315 CarbonylContact O-C 3.57Å; G289-G315 WeakPolarHBondContact O-CA 3.38Å; G289-G315 VanDerWaalsContact O-O 3.14Å; L312-G315 PolarHBondContact O-N 2.9Å; V313-G315 PolarHBondContact O-N 3.31Å |
| 316 | R | 98.2 | Very high | 97.6 | Very high | 23 Ų | 23 | 57.6 Ų | 57.6 | 9% | 0.087 | 33% | 0.326 | C | S | . | . | trans | -73.4 | 146.5 | 173.3 | -64.6 | 175.8 | 177.5 | 78 | -1.2 | 111.3 | L283 C286 G291 Y311 T314 | L283-R316 HydrophobicContact CD1-CB 3.99Å; L283-R316 VanDerWaalsContact O-CD 3.25Å; L283-R316 WeakPolarHBondContact O-CD 3.35Å; L283-R316 PolarHBondContact O-NE 3.04Å; C286-R316 HydrophobicContact CB-CG 4.14Å; C286-R316 PolarHBondContact O-NE 3.41Å; C286-R316 PolarHBondContact O-NH2 3.11Å; G291-R316 CarbonylContact O-C 3.57Å; G291-R316 VanDerWaalsContact O-CA 3.27Å; G291-R316 WeakPolarHBondContact O-CA 3.25Å; Y311-R316 WeakPolarHBondContact O-CB 3.45Å; Y311-R316 WeakPolarHBondContact O-CG 3.24Å; Y311-R316 PolarHBondContact O-N 3.49Å; T314-R316 PolarHBondContact OG1-NH1 3.24Å | ||
| 317 | T | 97.9 | Very high | 97.6 | Very high | 62 Ų | 62 | 56.9 Ų | 56.9 | 38% | 0.38 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 129.3 | 171.7 | -60.4 | 0 | 0 | 0 | 0 | 110.4 | G291 V292 S293 K319 | G291-T317 PolarHBondContact O-N 3.16Å; V292-T317 WeakPolarHBondContact CA-O 3.3Å; S293-T317 PolarHBondContact N-O 2.8Å; T317-K319 VanDerWaalsContact CG2-CE 3.5Å |
| 318 | W | 98.1 | Very high | 97.6 | Very high | 56 Ų | 56 | 55.4 Ų | 55.4 | 21% | 0.212 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.2 | 171.8 | -152 | 8.8 | 0 | 0 | 0 | 110 | M279 L283 I295 I305 T307 L312 | M279-W318 HydrophobicContact CB-CZ2 4.15Å; M279-W318 WeakPolarHBondContact O-CZ2 3.38Å; L283-W318 HydrophobicContact CB-CD2 4.38Å; L283-W318 HydrophobicContact CB-CZ2 4.29Å; L283-W318 HydrophobicContact CD1-CB 3.97Å; L283-W318 HydrophobicContact CD1-CD2 4.44Å; L283-W318 HydrophobicContact CD1-CG 4.01Å; L283-W318 HydrophobicContact CD2-CB 4.39Å; L283-W318 HydrophobicContact CD2-CD2 3.65Å; L283-W318 HydrophobicContact CD2-CE3 3.57Å; L283-W318 HydrophobicContact CD2-CG 4.08Å; L283-W318 HydrophobicContact CD2-CH2 4.19Å; L283-W318 HydrophobicContact CD2-CZ2 4.33Å; L283-W318 HydrophobicContact CD2-CZ3 3.85Å; L283-W318 HydrophobicContact CG-CD2 4.37Å; L283-W318 HydrophobicContact CG-CG 4.44Å; I295-W318 HydrophobicContact CD1-CZ2 4.18Å; I305-W318 HydrophobicContact CB-CH2 3.53Å; I305-W318 HydrophobicContact CB-CZ2 3.95Å; I305-W318 HydrophobicContact CB-CZ3 4.12Å; I305-W318 HydrophobicContact CD1-CD2 4.17Å; I305-W318 HydrophobicContact CD1-CE3 3.96Å; I305-W318 HydrophobicContact CD1-CH2 3.82Å; I305-W318 HydrophobicContact CD1-CZ2 3.94Å; I305-W318 HydrophobicContact CD1-CZ3 3.8Å; I305-W318 HydrophobicContact CG1-CH2 3.94Å; I305-W318 HydrophobicContact CG1-CZ2 4.42Å; I305-W318 HydrophobicContact CG1-CZ3 4.04Å; I305-W318 HydrophobicContact CG2-CH2 4.32Å; I305-W318 HydrophobicContact CG2-CZ2 4.27Å; T307-W318 HydrophobicContact CG2-CZ3 4.09Å; L312-W318 HydrophobicContact CD2-CB 4.22Å |
| 319 | K | 97.2 | Very high | 97.7 | Very high | 75 Ų | 75 | 48.6 Ų | 48.6 | 33% | 0.326 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 171.1 | -179.1 | 64.7 | -179.2 | 70.4 | 167.4 | 0 | 110.8 | T188 V292 S293 V294 I295 T317 | T188-K319 HydrophobicContact CG2-CD 3.96Å; T188-K319 HydrophobicContact CG2-CG 4.42Å; T188-K319 PolarHBondContact O-NZ 3.02Å; V292-K319 HydrophobicContact CG1-CD 3.9Å; V292-K319 HydrophobicContact CG1-CG 4.16Å; S293-K319 PolarHBondContact O-N 3Å; V294-K319 CarbonylContact C-O 3.58Å; V294-K319 VanDerWaalsContact CA-O 3.32Å; V294-K319 WeakPolarHBondContact CA-O 3.48Å; V294-K319 HydrophobicContact CG2-CD 4.37Å; V294-K319 HydrophobicContact CG2-CG 4.06Å; I295-K319 PolarHBondContact N-O 2.84Å; T317-K319 VanDerWaalsContact CG2-CE 3.5Å |
| 320 | G | 96.7 | Very high | 97.7 | Very high | 48 Ų | 48 | 47 Ų | 47 | 50% | 0.495 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 170.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I295 | I295-G320 VanDerWaalsContact O-CA 3.24Å; I295-G320 WeakPolarHBondContact O-CA 3.23Å |
| 321 | A | 94.3 | Very high | 97.7 | Very high | 25 Ų | 25 | 41.1 Ų | 41.1 | 21% | 0.207 | 24% | 0.241 | C | C | . | . | trans | -131.1 | 146.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | A184 T188 V294 I295 L296 | A184-A321 HydrophobicContact CB-CB 4.48Å; T188-A321 HydrophobicContact CG2-CB 3.79Å; T188-A321 WeakPolarHBondContact OG1-CB 3.28Å; V294-A321 HydrophobicContact CG1-CB 4.33Å; I295-A321 PolarHBondContact O-N 3.4Å; L296-A321 HydrophobicContact CD2-CB 3.5Å; L296-A321 VanDerWaalsContact CD2-CB 3.5Å | ||
| 322 | A | 95.8 | Very high | 97.7 | Very high | 38 Ų | 38 | 38.7 Ų | 38.7 | 31% | 0.314 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -115 | 129.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | N111 L112 G324 G325 | N111-A322 PolarHBondContact ND2-O 3.47Å; L112-A322 HydrophobicContact CD2-CB 3.61Å; A322-G324 PolarHBondContact O-N 3.3Å; A322-G325 PolarHBondContact O-N 2.86Å |
| 323 | F | 97.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | 48.7 | 36.6 | -178.7 | -163.4 | -125 | 0 | 0 | 0 | 113 | L94 Y95 G175 P179 G325 W326 V332 | L94-F323 HydrophobicContact CD2-CZ 4.45Å; Y95-F323 AromaticContact CE1-CD2 3.71Å; Y95-F323 HydrophobicContact CE1-CD2 3.71Å; Y95-F323 HydrophobicContact CE1-CE2 4.1Å; Y95-F323 HydrophobicContact CE1-CG 4.43Å; Y95-F323 AromaticContact CZ-CD2 3.73Å; Y95-F323 WeakPolarHBondContact OH-CB 3.43Å; Y95-F323 VanDerWaalsContact OH-CD2 3.28Å; Y95-F323 WeakPolarHBondContact OH-CD2 3.45Å; G175-F323 WeakPolarHBondContact O-CE2 3.23Å; P179-F323 HydrophobicContact CB-CD2 4.19Å; P179-F323 HydrophobicContact CB-CE1 4.44Å; P179-F323 HydrophobicContact CB-CE2 3.63Å; P179-F323 HydrophobicContact CB-CZ 3.79Å; P179-F323 HydrophobicContact CG-CE2 3.75Å; P179-F323 HydrophobicContact CG-CZ 3.86Å; F323-G325 PolarHBondContact O-N 3.41Å; F323-G325 VanDerWaalsContact O-N 3.07Å; F323-W326 HydrophobicContact CD1-CB 4Å; F323-W326 HydrophobicContact CE1-CB 4.18Å; F323-W326 PolarHBondContact O-N 2.81Å; F323-W326 VanDerWaalsContact O-N 3.1Å; F323-V332 HydrophobicContact CE1-CG2 3.77Å; F323-V332 HydrophobicContact CZ-CG2 3.64Å |
| 324 | G | 97.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | 62.5 | 18.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | T180 G183 N187 A322 W326 | T180-G324 VanDerWaalsContact O-CA 3.29Å; T180-G324 WeakPolarHBondContact O-CA 3.34Å; G183-G324 CarbonylContact C-O 3.57Å; G183-G324 VanDerWaalsContact CA-O 3.29Å; G183-G324 WeakPolarHBondContact CA-O 3.19Å; N187-G324 WeakPolarHBondContact CB-O 3.39Å; N187-G324 PolarHBondContact ND2-O 2.89Å; A322-G324 PolarHBondContact O-N 3.3Å; G324-W326 PolarHBondContact O-N 3.26Å |
| 325 | G | 97 | Very high | 97.7 | Very high | 31 Ų | 31 | 35 Ų | 35 | 32% | 0.32 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | 74.7 | 5.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A322 F323 | A322-G325 PolarHBondContact O-N 2.86Å; F323-G325 PolarHBondContact O-N 3.41Å; F323-G325 VanDerWaalsContact O-N 3.07Å |
| 326 | W | 97.7 | Very high | 97.8 | Very high | 39 Ų | 39 | 33.7 Ų | 33.7 | 15% | 0.148 | 20% | 0.195 | C | C | . | . | trans | -71.9 | 132.3 | 179.6 | -64.3 | 114.3 | 0 | 0 | 0 | 111.7 | N111 P179 Y182 L186 N187 F323 G324 S328 L335 | N111-W326 WeakPolarHBondContact CB-O 3.39Å; N111-W326 PolarHBondContact ND2-O 3.43Å; P179-W326 VanDerWaalsContact O-CD1 3.23Å; P179-W326 PolarHBondContact O-NE1 3.48Å; Y182-W326 HydrophobicContact CD1-CZ2 4.16Å; Y182-W326 HydrophobicContact CE1-CZ2 4.38Å; L186-W326 HydrophobicContact CD1-CH2 4.43Å; L186-W326 HydrophobicContact CD1-CZ2 4.31Å; N187-W326 VanDerWaalsContact ND2-CE3 3.33Å; N187-W326 WeakPolarHBondContact ND2-CH2 3.32Å; N187-W326 WeakPolarHBondContact ND2-CZ2 3.39Å; N187-W326 WeakPolarHBondContact ND2-CZ3 3.45Å; F323-W326 HydrophobicContact CD1-CB 4Å; F323-W326 HydrophobicContact CE1-CB 4.18Å; F323-W326 PolarHBondContact O-N 2.81Å; F323-W326 VanDerWaalsContact O-N 3.1Å; G324-W326 PolarHBondContact O-N 3.26Å; W326-S328 PolarHBondContact O-N 3.1Å; W326-L335 HydrophobicContact CZ2-CD2 4.25Å | ||
| 327 | K | 98.2 | Very high | 97.8 | Very high | 53 Ų | 53 | 35.8 Ų | 35.8 | 23% | 0.23 | 21% | 0.205 | C | C | . | . | trans | -74 | 106 | 163.1 | -73.4 | -171.2 | -168.4 | -78.5 | 0 | 107.6 | Q98 C105 S107 T110 N111 R329 D330 S331 | Q98-K327 PolarHBondContact OE1-O 3.02Å; C105-K327 PolarHBondContact O-NZ 2.77Å; S107-K327 PolarHBondContact O-NZ 3.38Å; T110-K327 PolarHBondContact O-NZ 2.75Å; N111-K327 HydrophobicContact CB-CG 4.32Å; K327-R329 PolarHBondContact O-N 3.48Å; K327-D330 PolarHBondContact O-N 3.12Å; K327-S331 PolarHBondContact N-OG 3.46Å; K327-S331 VanDerWaalsContact O-CB 3.25Å; K327-S331 WeakPolarHBondContact O-CB 3.26Å; K327-S331 PolarHBondContact O-N 3.01Å; K327-S331 PolarHBondContact O-OG 3.49Å | ||
| 328 | S | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.1 | -54.9 | -157.2 | 56.3 | 0 | 0 | 0 | 0 | 114.7 | L94 T96 W326 D330 S331 V332 | L94-S328 VanDerWaalsContact CD1-CB 3.5Å; T96-S328 WeakPolarHBondContact O-CB 3.49Å; T96-S328 PolarHBondContact O-OG 3.34Å; W326-S328 PolarHBondContact O-N 3.1Å; S328-D330 VanDerWaalsContact C-N 3.26Å; S328-D330 PolarHBondContact O-N 3.36Å; S328-S331 PolarHBondContact O-N 3.02Å; S328-V332 WeakPolarHBondContact O-CB 3.5Å; S328-V332 VanDerWaalsContact O-CG2 3.31Å; S328-V332 WeakPolarHBondContact O-CG2 3.1Å; S328-V332 PolarHBondContact O-N 2.84Å |
| 329 | R | 98.6 | Very high | 97.9 | Very high | 32 Ų | 32 | 34.3 Ų | 34.3 | 12% | 0.121 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.7 | -28 | -178.1 | -66.6 | -177.2 | 63 | -162.8 | 5.4 | 113.6 | S84 L94 Q98 I157 V159 K327 P333 | S84-R329 PolarHBondContact OG-NH2 2.89Å; L94-R329 HydrophobicContact CD1-CG 3.78Å; Q98-R329 HydrophobicContact CB-CB 4.11Å; Q98-R329 HydrophobicContact CB-CG 3.98Å; Q98-R329 WeakPolarHBondContact O-CD 3.16Å; I157-R329 VanDerWaalsContact O-CD 3.24Å; I157-R329 WeakPolarHBondContact O-CD 3.42Å; V159-R329 WeakPolarHBondContact O-CG 3.14Å; V159-R329 PolarHBondContact O-NE 2.87Å; K327-R329 PolarHBondContact O-N 3.48Å; R329-P333 WeakPolarHBondContact O-CD 3.34Å; R329-P333 WeakPolarHBondContact O-CG 3.25Å |
| 330 | D | 98.5 | Very high | 97.9 | Very high | 64 Ų | 64 | 34.2 Ų | 34.2 | 34% | 0.342 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -82 | -39.2 | 176.6 | -61.6 | -9.3 | 0 | 0 | 0 | 111.5 | Q98 R100 K327 S328 | Q98-D330 PolarHBondContact NE2-OD1 2.96Å; Q98-D330 PolarHBondContact NE2-OD2 3.21Å; Q98-D330 VanDerWaalsContact OE1-N 3.12Å; R100-D330 IonicContact CZ-OD1 3.74Å; R100-D330 VanDerWaalsContact CZ-OD1 3.27Å; R100-D330 IonicContact NE-OD1 3.38Å; R100-D330 PolarHBondContact NE-OD1 3.38Å; R100-D330 VanDerWaalsContact NE-OD1 3.1Å; R100-D330 IonicContact NH2-OD1 3.26Å; R100-D330 PolarHBondContact NH2-OD1 3.2Å; K327-D330 PolarHBondContact O-N 3.12Å; S328-D330 VanDerWaalsContact C-N 3.26Å; S328-D330 PolarHBondContact O-N 3.36Å |
| 331 | S | 98.4 | Very high | 98 | Very high | 15 Ų | 15 | 39.7 Ų | 39.7 | 11% | 0.105 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -92.6 | -37.1 | -166.7 | -46.8 | 0 | 0 | 0 | 0 | 113.2 | K327 S328 L334 L335 | K327-S331 PolarHBondContact N-OG 3.46Å; K327-S331 VanDerWaalsContact O-CB 3.25Å; K327-S331 WeakPolarHBondContact O-CB 3.26Å; K327-S331 PolarHBondContact O-N 3.01Å; K327-S331 PolarHBondContact O-OG 3.49Å; S328-S331 PolarHBondContact O-N 3.02Å; S331-L334 WeakPolarHBondContact O-CA 3.47Å; S331-L334 WeakPolarHBondContact O-CB 3.26Å; S331-L334 PolarHBondContact O-N 2.76Å; S331-L335 PolarHBondContact O-N 3.18Å |
| 332 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.7 | -42.2 | -177.7 | 169.9 | 0 | 0 | 0 | 0 | 112.6 | I92 L94 A160 V162 F323 S328 L334 L335 V336 | I92-V332 HydrophobicContact CB-CG1 4.25Å; I92-V332 HydrophobicContact CD1-CG1 3.7Å; I92-V332 HydrophobicContact CG2-CG1 4.33Å; L94-V332 HydrophobicContact CD2-CB 4.38Å; L94-V332 HydrophobicContact CD2-CG1 4.42Å; L94-V332 HydrophobicContact CD2-CG2 3.78Å; A160-V332 HydrophobicContact CB-CB 3.99Å; A160-V332 HydrophobicContact CB-CG1 3.95Å; V162-V332 HydrophobicContact CG1-CG1 4.45Å; F323-V332 HydrophobicContact CE1-CG2 3.77Å; F323-V332 HydrophobicContact CZ-CG2 3.64Å; S328-V332 WeakPolarHBondContact O-CB 3.5Å; S328-V332 VanDerWaalsContact O-CG2 3.31Å; S328-V332 WeakPolarHBondContact O-CG2 3.1Å; S328-V332 PolarHBondContact O-N 2.84Å; V332-L334 VanDerWaalsContact C-N 3.27Å; V332-L334 PolarHBondContact O-N 3.18Å; V332-L335 PolarHBondContact O-N 3.22Å; V332-V336 WeakPolarHBondContact O-CG2 3.14Å; V332-V336 PolarHBondContact O-N 3.26Å |
| 333 | P | 98.8 | Very high | 98.2 | Very high | 29 Ų | 29 | 43.2 Ų | 43.2 | 19% | 0.188 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.9 | -37.1 | 173.5 | -23.8 | 35.7 | 0 | 0 | 0 | 112.7 | A160 K161 R329 V336 E337 | A160-P333 HydrophobicContact CB-CG 4.22Å; K161-P333 WeakPolarHBondContact O-CB 3.38Å; K161-P333 WeakPolarHBondContact O-CG 3.33Å; R329-P333 WeakPolarHBondContact O-CD 3.34Å; R329-P333 WeakPolarHBondContact O-CG 3.25Å; P333-V336 WeakPolarHBondContact O-CB 3.23Å; P333-V336 PolarHBondContact O-N 2.93Å; P333-E337 WeakPolarHBondContact O-CG 3.34Å; P333-E337 PolarHBondContact O-N 3.18Å |
| 334 | L | 98.7 | Very high | 98.2 | Very high | 111 Ų | 111 | 43.4 Ų | 43.4 | 58% | 0.581 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -69.5 | -37.3 | 177.5 | -57.7 | 176.1 | 0 | 0 | 0 | 112.1 | S331 V332 V336 E337 Q338 | S331-L334 WeakPolarHBondContact O-CA 3.47Å; S331-L334 WeakPolarHBondContact O-CB 3.26Å; S331-L334 PolarHBondContact O-N 2.76Å; V332-L334 VanDerWaalsContact C-N 3.27Å; V332-L334 PolarHBondContact O-N 3.18Å; L334-V336 VanDerWaalsContact C-N 3.33Å; L334-E337 PolarHBondContact O-N 3.46Å; L334-Q338 WeakPolarHBondContact O-CG 3.2Å; L334-Q338 PolarHBondContact O-N 2.94Å |
| 335 | L | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 173.4 | -67.4 | 172.8 | 0 | 0 | 0 | 111.4 | L174 P179 Y182 W326 S331 V332 E337 Q338 Y339 L344 | L174-L335 HydrophobicContact CD1-CB 4.37Å; P179-L335 HydrophobicContact CB-CD1 3.83Å; P179-L335 HydrophobicContact CG-CD1 3.92Å; Y182-L335 HydrophobicContact CD1-CD2 4.14Å; Y182-L335 HydrophobicContact CE1-CD2 4Å; W326-L335 HydrophobicContact CZ2-CD2 4.25Å; S331-L335 PolarHBondContact O-N 3.18Å; V332-L335 PolarHBondContact O-N 3.22Å; L335-E337 VanDerWaalsContact C-N 3.33Å; L335-E337 PolarHBondContact O-N 2.96Å; L335-Q338 PolarHBondContact O-N 3.4Å; L335-Y339 PolarHBondContact O-N 2.92Å; L335-L344 HydrophobicContact CB-CD2 4.39Å; L335-L344 HydrophobicContact CD2-CD2 4.29Å |
| 336 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 171.3 | 170.8 | 0 | 0 | 0 | 0 | 110.3 | I92 V162 N163 A166 I171 L174 V332 P333 L334 Q338 Y339 M340 | I92-V336 HydrophobicContact CD1-CG2 4.11Å; V162-V336 HydrophobicContact CB-CG1 4.37Å; V162-V336 HydrophobicContact CB-CG2 4.1Å; V162-V336 HydrophobicContact CG1-CG2 3.85Å; N163-V336 HydrophobicContact CB-CG1 3.89Å; A166-V336 HydrophobicContact CB-CG1 3.67Å; I171-V336 HydrophobicContact CB-CG2 4.24Å; I171-V336 HydrophobicContact CD1-CG2 4.43Å; I171-V336 HydrophobicContact CG2-CG1 4.25Å; I171-V336 HydrophobicContact CG2-CG2 4.17Å; L174-V336 HydrophobicContact CD1-CB 4.36Å; L174-V336 HydrophobicContact CD1-CG2 3.64Å; V332-V336 WeakPolarHBondContact O-CG2 3.14Å; V332-V336 PolarHBondContact O-N 3.26Å; P333-V336 WeakPolarHBondContact O-CB 3.23Å; P333-V336 PolarHBondContact O-N 2.93Å; L334-V336 VanDerWaalsContact C-N 3.33Å; V336-Q338 VanDerWaalsContact C-N 3.34Å; V336-Q338 PolarHBondContact O-N 3.01Å; V336-Y339 WeakPolarHBondContact O-CB 3.45Å; V336-Y339 PolarHBondContact O-N 2.94Å; V336-M340 HydrophobicContact CG1-CG 4.26Å; V336-M340 VanDerWaalsContact O-CG 3.27Å; V336-M340 WeakPolarHBondContact O-CG 3.39Å; V336-M340 PolarHBondContact O-N 3.45Å |
| 337 | E | 98.8 | Very high | 98.2 | Very high | 67 Ų | 67 | 47 Ų | 47 | 31% | 0.313 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.2 | -35.5 | 177.1 | -67.5 | -55.7 | 139.5 | 0 | 0 | 113.2 | N163 P333 L334 L335 M340 K341 | N163-E337 VanDerWaalsContact CB-OE1 3.3Å; N163-E337 WeakPolarHBondContact CB-OE1 3.39Å; N163-E337 PolarHBondContact ND2-OE1 3.44Å; P333-E337 WeakPolarHBondContact O-CG 3.34Å; P333-E337 PolarHBondContact O-N 3.18Å; L334-E337 PolarHBondContact O-N 3.46Å; L335-E337 VanDerWaalsContact C-N 3.33Å; L335-E337 PolarHBondContact O-N 2.96Å; E337-M340 PolarHBondContact O-N 3.47Å; E337-K341 VanDerWaalsContact O-CG 3.27Å; E337-K341 WeakPolarHBondContact O-CG 3.44Å; E337-K341 PolarHBondContact O-N 3.21Å; E337-K341 VanDerWaalsContact O-N 3.14Å |
| 338 | Q | 98.3 | Very high | 98.1 | Very high | 63 Ų | 63 | 47.4 Ų | 47.4 | 29% | 0.294 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 173.7 | -72 | 178.5 | 10.3 | 0 | 0 | 111.5 | L334 L335 V336 K341 G342 A343 L344 | L334-Q338 WeakPolarHBondContact O-CG 3.2Å; L334-Q338 PolarHBondContact O-N 2.94Å; L335-Q338 PolarHBondContact O-N 3.4Å; V336-Q338 VanDerWaalsContact C-N 3.34Å; V336-Q338 PolarHBondContact O-N 3.01Å; Q338-K341 PolarHBondContact O-N 3.29Å; Q338-G342 PolarHBondContact O-N 3.28Å; Q338-A343 HydrophobicContact CB-CB 4.42Å; Q338-A343 WeakPolarHBondContact O-CB 3.27Å; Q338-A343 PolarHBondContact O-N 3.03Å; Q338-L344 HydrophobicContact CB-CB 4.14Å |
| 339 | Y | 98.7 | Very high | 98 | Very high | 25 Ų | 25 | 48.6 Ų | 48.6 | 10% | 0.098 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60 | -47.7 | 173.6 | 164.7 | -114.7 | 0 | 0 | 0 | 111.7 | P167 K170 I171 L335 V336 K341 G342 V346 D347 | P167-Y339 HydrophobicContact CG-CE1 3.83Å; P167-Y339 WeakPolarHBondContact CG-OH 3.21Å; K170-Y339 HydrophobicContact CB-CE1 4.19Å; K170-Y339 WeakPolarHBondContact CB-OH 3.33Å; K170-Y339 WeakPolarHBondContact CG-OH 3.22Å; I171-Y339 HydrophobicContact CG2-CD1 3.7Å; I171-Y339 HydrophobicContact CG2-CE1 3.88Å; L335-Y339 PolarHBondContact O-N 2.92Å; V336-Y339 WeakPolarHBondContact O-CB 3.45Å; V336-Y339 PolarHBondContact O-N 2.94Å; Y339-K341 PolarHBondContact O-N 3.31Å; Y339-K341 VanDerWaalsContact O-N 3.12Å; Y339-G342 WeakPolarHBondContact O-CA 3.46Å; Y339-G342 PolarHBondContact O-N 2.91Å; Y339-V346 HydrophobicContact CD2-CB 3.57Å; Y339-V346 HydrophobicContact CD2-CG2 3.47Å; Y339-V346 VanDerWaalsContact CD2-CG2 3.47Å; Y339-V346 HydrophobicContact CE2-CB 3.69Å; Y339-V346 HydrophobicContact CE2-CG2 4.15Å; Y339-V346 HydrophobicContact CG-CB 4.19Å; Y339-V346 HydrophobicContact CG-CG2 3.76Å; Y339-D347 PolarHBondContact OH-OD1 2.72Å |
| 340 | M | 98.5 | Very high | 97.8 | Very high | 73 Ų | 73 | 48.8 Ų | 48.8 | 36% | 0.36 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.8 | -23.9 | 179.4 | -68.3 | -58.6 | -70.3 | 0 | 0 | 113.2 | N165 A166 V336 E337 | N165-M340 HydrophobicContact CB-CE 4.41Å; A166-M340 VanDerWaalsContact CA-SD 3.59Å; A166-M340 HydrophobicContact CB-CE 4.48Å; A166-M340 HydrophobicContact CB-CG 4.16Å; A166-M340 HydrophobicContact CB-SD 3.66Å; V336-M340 HydrophobicContact CG1-CG 4.26Å; V336-M340 VanDerWaalsContact O-CG 3.27Å; V336-M340 WeakPolarHBondContact O-CG 3.39Å; V336-M340 PolarHBondContact O-N 3.45Å; E337-M340 PolarHBondContact O-N 3.47Å |
| 341 | K | 98.3 | Very high | 97.4 | Very high | 163 Ų | 163 | 49.2 Ų | 49.2 | 71% | 0.709 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -0.2 | 174 | -68.8 | 170.5 | -172.8 | 175.3 | 0 | 113.6 | E337 Q338 Y339 A343 | E337-K341 VanDerWaalsContact O-CG 3.27Å; E337-K341 WeakPolarHBondContact O-CG 3.44Å; E337-K341 PolarHBondContact O-N 3.21Å; E337-K341 VanDerWaalsContact O-N 3.14Å; Q338-K341 PolarHBondContact O-N 3.29Å; Y339-K341 PolarHBondContact O-N 3.31Å; Y339-K341 VanDerWaalsContact O-N 3.12Å; K341-A343 VanDerWaalsContact C-N 3.27Å; K341-A343 PolarHBondContact O-N 3.39Å |
| 342 | G | 97.2 | Very high | 97.2 | Very high | 69 Ų | 69 | 50.1 Ų | 50.1 | 71% | 0.711 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | 13.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q338 Y339 | Q338-G342 PolarHBondContact O-N 3.28Å; Y339-G342 WeakPolarHBondContact O-CA 3.46Å; Y339-G342 PolarHBondContact O-N 2.91Å |
| 343 | A | 96.6 | Very high | 97 | Very high | 68 Ų | 68 | 56.7 Ų | 56.7 | 56% | 0.562 | 32% | 0.316 | S | S | * | . | trans | -85 | -19.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q338 K341 | Q338-A343 HydrophobicContact CB-CB 4.42Å; Q338-A343 WeakPolarHBondContact O-CB 3.27Å; Q338-A343 PolarHBondContact O-N 3.03Å; K341-A343 VanDerWaalsContact C-N 3.27Å; K341-A343 PolarHBondContact O-N 3.39Å | ||
| 344 | L | 97.8 | Very high | 96.9 | Very high | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -122.3 | 126.1 | 179.7 | -176 | 69.3 | 0 | 0 | 0 | 109.9 | L174 I178 Y182 M212 L335 Q338 V346 | L174-L344 HydrophobicContact CD2-CD2 3.81Å; I178-L344 HydrophobicContact CG2-CD1 4.46Å; I178-L344 HydrophobicContact CG2-CD2 4.33Å; Y182-L344 HydrophobicContact CD1-CD1 4.02Å; Y182-L344 HydrophobicContact CD2-CD1 4.15Å; Y182-L344 HydrophobicContact CE1-CD1 3.87Å; Y182-L344 HydrophobicContact CE2-CD1 4.03Å; Y182-L344 HydrophobicContact CG-CD1 4.14Å; M212-L344 HydrophobicContact CE-CD1 3.32Å; M212-L344 HydrophobicContact CE-CG 4.3Å; M212-L344 HydrophobicContact SD-CD1 3.94Å; L335-L344 HydrophobicContact CB-CD2 4.39Å; L335-L344 HydrophobicContact CD2-CD2 4.29Å; Q338-L344 HydrophobicContact CB-CB 4.14Å; L344-V346 HydrophobicContact CD2-CG2 4.29Å; L344-V346 HydrophobicContact CG-CG2 4.29Å |
| 345 | K | 97.7 | Very high | 96.8 | Very high | 74 Ų | 74 | 57.8 Ų | 57.8 | 32% | 0.322 | 32% | 0.318 | S | S | . | . | trans | -72 | 128.7 | 173.6 | -66.6 | 172.9 | 167.5 | -84.7 | 0 | 109.8 | M212 F238 E348 F349 | M212-K345 HydrophobicContact SD-CB 3.63Å; M212-K345 HydrophobicContact SD-CD 4.23Å; M212-K345 HydrophobicContact SD-CG 4.08Å; F238-K345 HydrophobicContact CD1-CD 4.25Å; F238-K345 HydrophobicContact CE1-CB 4.26Å; F238-K345 HydrophobicContact CE1-CD 4.13Å; K345-E348 WeakPolarHBondContact CB-OE2 3.2Å; K345-E348 WeakPolarHBondContact CG-OE1 3.42Å; K345-E348 IonicContact NZ-OE1 3.1Å; K345-E348 PolarHBondContact NZ-OE1 2.86Å; K345-F349 WeakPolarHBondContact O-CE2 3.32Å | ||
| 346 | V | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | trans | -137.7 | -38.9 | 176.4 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | K170 L173 L174 I178 Y339 L344 E348 F349 | K170-V346 HydrophobicContact CB-CG1 4.05Å; K170-V346 VanDerWaalsContact O-CG1 3.26Å; K170-V346 WeakPolarHBondContact O-CG1 3.47Å; L173-V346 HydrophobicContact CB-CG1 4.46Å; L173-V346 HydrophobicContact CD1-CG1 4.2Å; L174-V346 HydrophobicContact CD2-CG2 4.07Å; I178-V346 HydrophobicContact CD1-CB 4.27Å; I178-V346 HydrophobicContact CD1-CG1 3.99Å; I178-V346 HydrophobicContact CD1-CG2 4.16Å; Y339-V346 HydrophobicContact CD2-CB 3.57Å; Y339-V346 HydrophobicContact CD2-CG2 3.47Å; Y339-V346 VanDerWaalsContact CD2-CG2 3.47Å; Y339-V346 HydrophobicContact CE2-CB 3.69Å; Y339-V346 HydrophobicContact CE2-CG2 4.15Å; Y339-V346 HydrophobicContact CG-CB 4.19Å; Y339-V346 HydrophobicContact CG-CG2 3.76Å; L344-V346 HydrophobicContact CD2-CG2 4.29Å; L344-V346 HydrophobicContact CG-CG2 4.29Å; V346-E348 VanDerWaalsContact C-N 3.26Å; V346-E348 PolarHBondContact O-N 3.27Å; V346-F349 PolarHBondContact O-N 2.65Å; V346-F349 VanDerWaalsContact O-N 3.15Å | ||
| 347 | D | 97.3 | Very high | 96.7 | Very high | 71 Ų | 71 | 64.1 Ų | 64.1 | 38% | 0.38 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -60.5 | -37.2 | -176.7 | -66.5 | -37 | 0 | 0 | 0 | 112.8 | K170 Y339 F349 V350 | K170-D347 WeakPolarHBondContact CD-OD1 3.2Å; K170-D347 WeakPolarHBondContact CE-OD1 3.39Å; K170-D347 WeakPolarHBondContact CG-OD1 3.14Å; K170-D347 IonicContact NZ-OD1 3.46Å; Y339-D347 PolarHBondContact OH-OD1 2.72Å; D347-F349 PolarHBondContact O-N 3.42Å; D347-V350 PolarHBondContact O-N 2.99Å; D347-V350 VanDerWaalsContact O-N 3.09Å |
| 348 | E | 95.5 | Very high | 96.6 | Very high | 62 Ų | 62 | 64.5 Ų | 64.5 | 29% | 0.29 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -66.1 | -18 | -179.1 | -63 | 95.3 | 143.5 | 0 | 0 | 113.8 | F238 K345 V346 | F238-E348 HydrophobicContact CE2-CB 4.1Å; F238-E348 HydrophobicContact CZ-CB 3.67Å; K345-E348 WeakPolarHBondContact CB-OE2 3.2Å; K345-E348 WeakPolarHBondContact CG-OE1 3.42Å; K345-E348 IonicContact NZ-OE1 3.1Å; K345-E348 PolarHBondContact NZ-OE1 2.86Å; V346-E348 VanDerWaalsContact C-N 3.26Å; V346-E348 PolarHBondContact O-N 3.27Å |
| 349 | F | 95.4 | Very high | 96.5 | Very high | 26 Ų | 26 | 61.9 Ų | 61.9 | 11% | 0.114 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -84.8 | -10.4 | 175.5 | -67.7 | -83.4 | 0 | 0 | 0 | 113.1 | L173 I178 C205 L208 S209 F238 K345 V346 D347 T351 | L173-F349 HydrophobicContact CD1-CB 3.67Å; I178-F349 HydrophobicContact CD1-CB 4.3Å; I178-F349 HydrophobicContact CD1-CD2 3.41Å; I178-F349 VanDerWaalsContact CD1-CD2 3.41Å; I178-F349 HydrophobicContact CD1-CE2 3.78Å; I178-F349 HydrophobicContact CD1-CG 3.93Å; I178-F349 HydrophobicContact CG1-CD1 4.49Å; I178-F349 HydrophobicContact CG1-CD2 3.84Å; I178-F349 HydrophobicContact CG1-CE1 4.49Å; I178-F349 HydrophobicContact CG1-CE2 3.83Å; I178-F349 HydrophobicContact CG1-CG 4.16Å; I178-F349 HydrophobicContact CG1-CZ 4.17Å; C205-F349 HydrophobicContact CB-CD1 4.17Å; C205-F349 HydrophobicContact CB-CE1 4.4Å; C205-F349 WeakPolarHBondContact O-CE1 3.37Å; L208-F349 HydrophobicContact CB-CE1 3.74Å; L208-F349 HydrophobicContact CB-CZ 4.12Å; L208-F349 HydrophobicContact CD1-CE1 4.27Å; S209-F349 VanDerWaalsContact OG-CZ 3.24Å; S209-F349 WeakPolarHBondContact OG-CZ 3.49Å; F238-F349 HydrophobicContact CD1-CE2 4.5Å; F238-F349 HydrophobicContact CD1-CZ 4.1Å; F238-F349 HydrophobicContact CE1-CD2 4.19Å; F238-F349 AromaticContact CE1-CE1 3.98Å; F238-F349 HydrophobicContact CE1-CE1 3.98Å; F238-F349 AromaticContact CE1-CE2 3.37Å; F238-F349 HydrophobicContact CE1-CE2 3.37Å; F238-F349 AromaticContact CE1-CZ 3.24Å; F238-F349 HydrophobicContact CE1-CZ 3.24Å; F238-F349 HydrophobicContact CZ-CD1 4.36Å; F238-F349 HydrophobicContact CZ-CD2 4.11Å; F238-F349 AromaticContact CZ-CE1 3.98Å; F238-F349 HydrophobicContact CZ-CE1 3.98Å; F238-F349 AromaticContact CZ-CE2 3.73Å; F238-F349 HydrophobicContact CZ-CE2 3.73Å; F238-F349 HydrophobicContact CZ-CG 4.43Å; F238-F349 AromaticContact CZ-CZ 3.66Å; F238-F349 HydrophobicContact CZ-CZ 3.66Å; K345-F349 WeakPolarHBondContact O-CE2 3.32Å; V346-F349 PolarHBondContact O-N 2.65Å; V346-F349 VanDerWaalsContact O-N 3.15Å; D347-F349 PolarHBondContact O-N 3.42Å; F349-T351 PolarHBondContact O-N 3.44Å |
| 350 | V | 94.4 | Very high | 96.3 | Very high | 35 Ų | 35 | 63.1 Ų | 63.1 | 21% | 0.212 | 36% | 0.36 | C | S | . | . | trans | -93.6 | 95.4 | -179.8 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | K170 L173 D347 Q353 | K170-V350 HydrophobicContact CD-CB 4.45Å; K170-V350 HydrophobicContact CD-CG2 3.77Å; L173-V350 HydrophobicContact CD1-CG2 3.69Å; D347-V350 PolarHBondContact O-N 2.99Å; D347-V350 VanDerWaalsContact O-N 3.09Å; V350-Q353 HydrophobicContact CG1-CG 4.09Å | ||
| 351 | T | 91.1 | Very high | 96.1 | Very high | 73 Ų | 73 | 64.7 Ų | 64.7 | 45% | 0.448 | 37% | 0.366 | S | S | . | . | trans | -95.4 | -11.3 | -175.7 | 56.6 | 0 | 0 | 0 | 0 | 114.5 | F349 R371 | F349-T351 PolarHBondContact O-N 3.44Å; T351-R371 HydrophobicContact CG2-CB 3.83Å | ||
| 352 | G | 92.8 | Very high | 95.9 | Very high | 34 Ų | 34 | 57.3 Ų | 57.3 | 35% | 0.351 | 34% | 0.336 | S | S | . | . | trans | -158.6 | 157.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 353 | Q | 95.2 | Very high | 95.7 | Very high | 139 Ų | 139 | 54.7 Ų | 54.7 | 65% | 0.65 | 31% | 0.305 | S | S | * | . | trans | -137.1 | 129.7 | 174.5 | -69.7 | -176.3 | 39.6 | 0 | 0 | 109 | V350 | V350-Q353 HydrophobicContact CG1-CG 4.09Š| ||
| 354 | Y | 96.6 | Very high | 95.5 | Very high | 97 Ų | 97 | 55.8 Ų | 55.8 | 38% | 0.38 | 30% | 0.302 | S | S | . | . | trans | -135.3 | 144.2 | -174.8 | -58.1 | -92.8 | 0 | 0 | 0 | 109.5 | A362 | Y354-A362 HydrophobicContact CD1-CB 4.41Å; Y354-A362 HydrophobicContact CD2-CB 3.54Å; Y354-A362 HydrophobicContact CE2-CB 4.07Å; Y354-A362 HydrophobicContact CG-CB 3.75Å | ||
| 355 | P | 97.5 | Very high | 95 | Very high | 66 Ų | 66 | 57.6 Ų | 57.6 | 43% | 0.429 | 32% | 0.315 | S | S | . | . | trans | -66.5 | 152.6 | 166.3 | 30.9 | -34.6 | 0 | 0 | 0 | 110.2 | S357 E358 | P355-S357 PolarHBondContact O-N 3.46Å; P355-E358 VanDerWaalsContact CD-OE2 3.29Å; P355-E358 WeakPolarHBondContact CD-OE2 3.36Å; P355-E358 HydrophobicContact CG-CB 4.06Å; P355-E358 HydrophobicContact CG-CG 3.83Å; P355-E358 PolarHBondContact O-N 3.42Å | ||
| 356 | L | 97.9 | Very high | 94.5 | Very high | 48 Ų | 48 | 56.2 Ų | 56.2 | 25% | 0.251 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -53.9 | -32 | 178.6 | 179.1 | 62.6 | 0 | 0 | 0 | 112.7 | A13 I24 Q150 E358 I359 | A13-L356 HydrophobicContact CB-CD1 4.31Å; I24-L356 HydrophobicContact CD1-CG 4.31Å; I24-L356 WeakPolarHBondContact CD1-O 3.27Å; Q150-L356 HydrophobicContact CG-CD2 4.28Å; L356-E358 PolarHBondContact O-N 3.45Å; L356-I359 HydrophobicContact CD1-CD1 4.21Å; L356-I359 WeakPolarHBondContact O-CB 3.47Å; L356-I359 PolarHBondContact O-N 2.97Å |
| 357 | S | 97.4 | Very high | 93.7 | Very high | 86 Ų | 86 | 62.1 Ų | 62.1 | 60% | 0.601 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -61.6 | -19.4 | 176.7 | 49.7 | 0 | 0 | 0 | 0 | 114.3 | P355 | P355-S357 PolarHBondContact O-N 3.46Š|
| 358 | E | 96.9 | Very high | 92.7 | Very high | 75 Ų | 75 | 64.9 Ų | 64.9 | 35% | 0.35 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -109.5 | 20.6 | -177.8 | -67.5 | 174.7 | -173.5 | 0 | 0 | 112.2 | P355 L356 S360 Q361 A362 | P355-E358 VanDerWaalsContact CD-OE2 3.29Å; P355-E358 WeakPolarHBondContact CD-OE2 3.36Å; P355-E358 HydrophobicContact CG-CB 4.06Å; P355-E358 HydrophobicContact CG-CG 3.83Å; P355-E358 PolarHBondContact O-N 3.42Å; L356-E358 PolarHBondContact O-N 3.45Å; E358-S360 PolarHBondContact O-N 2.84Å; E358-S360 VanDerWaalsContact O-N 3.07Å; E358-Q361 WeakPolarHBondContact O-CB 3.43Å; E358-Q361 PolarHBondContact O-N 3.46Å; E358-A362 PolarHBondContact O-N 3.31Å; E358-A362 VanDerWaalsContact O-N 3.15Å |
| 359 | I | 96.6 | Very high | 91.3 | Very high | 8 Ų | 8 | 63.7 Ų | 63.7 | 4% | 0.041 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -54.1 | -33.3 | -176.7 | -164.7 | 166.2 | 0 | 0 | 0 | 113.6 | A13 L22 I24 I46 F148 L356 Q361 A362 I363 | A13-I359 HydrophobicContact CB-CD1 3.9Å; A13-I359 HydrophobicContact CB-CG2 3.92Å; L22-I359 HydrophobicContact CB-CG2 4.2Å; L22-I359 HydrophobicContact CD1-CD1 3.74Å; L22-I359 HydrophobicContact CD1-CG1 4.1Å; L22-I359 HydrophobicContact CD1-CG2 4.13Å; I24-I359 HydrophobicContact CD1-CG2 3.98Å; I46-I359 HydrophobicContact CD1-CG1 3.93Å; F148-I359 HydrophobicContact CB-CD1 4.2Å; F148-I359 HydrophobicContact CD1-CD1 4.04Å; F148-I359 HydrophobicContact CD2-CD1 3.53Å; F148-I359 HydrophobicContact CE1-CD1 4.3Å; F148-I359 HydrophobicContact CE2-CD1 3.85Å; F148-I359 HydrophobicContact CG-CD1 3.67Å; F148-I359 HydrophobicContact CZ-CD1 4.23Å; L356-I359 HydrophobicContact CD1-CD1 4.21Å; L356-I359 WeakPolarHBondContact O-CB 3.47Å; L356-I359 PolarHBondContact O-N 2.97Å; I359-Q361 PolarHBondContact O-N 3.42Å; I359-A362 WeakPolarHBondContact O-CB 3.38Å; I359-A362 PolarHBondContact O-N 2.8Å; I359-I363 HydrophobicContact CG1-CD1 4.44Å; I359-I363 WeakPolarHBondContact O-CG1 3.38Å; I359-I363 PolarHBondContact O-N 3.17Å |
| 360 | S | 93.8 | Very high | 89.2 | Confident | 51 Ų | 51 | 67.6 Ų | 67.6 | 36% | 0.357 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 175.7 | -53.9 | 0 | 0 | 0 | 0 | 112.1 | E358 A362 I363 D364 | E358-S360 PolarHBondContact O-N 2.84Å; E358-S360 VanDerWaalsContact O-N 3.07Å; S360-A362 VanDerWaalsContact C-N 3.33Å; S360-A362 PolarHBondContact O-N 3.21Å; S360-I363 PolarHBondContact O-N 3.37Å; S360-D364 VanDerWaalsContact O-CG 3.28Å; S360-D364 PolarHBondContact O-N 3.32Å |
| 361 | Q | 94.1 | Very high | 86.9 | Confident | 107 Ų | 107 | 76.3 Ų | 76.3 | 50% | 0.5 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.2 | -37 | 175.9 | -61.4 | 175.8 | 5.4 | 0 | 0 | 111.3 | E358 I359 I363 D364 S365 | E358-Q361 WeakPolarHBondContact O-CB 3.43Å; E358-Q361 PolarHBondContact O-N 3.46Å; I359-Q361 PolarHBondContact O-N 3.42Å; Q361-I363 VanDerWaalsContact C-N 3.33Å; Q361-D364 PolarHBondContact O-N 2.74Å; Q361-S365 PolarHBondContact O-N 2.91Å |
| 362 | A | 94.2 | Very high | 86.7 | Confident | 8 Ų | 8 | 76.5 Ų | 76.5 | 7% | 0.066 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | I46 Y354 E358 I359 S360 S365 M366 | I46-A362 HydrophobicContact CD1-CB 3.47Å; I46-A362 VanDerWaalsContact CD1-CB 3.47Å; Y354-A362 HydrophobicContact CD1-CB 4.41Å; Y354-A362 HydrophobicContact CD2-CB 3.54Å; Y354-A362 HydrophobicContact CE2-CB 4.07Å; Y354-A362 HydrophobicContact CG-CB 3.75Å; E358-A362 PolarHBondContact O-N 3.31Å; E358-A362 VanDerWaalsContact O-N 3.15Å; I359-A362 WeakPolarHBondContact O-CB 3.38Å; I359-A362 PolarHBondContact O-N 2.8Å; S360-A362 VanDerWaalsContact C-N 3.33Å; S360-A362 PolarHBondContact O-N 3.21Å; A362-S365 PolarHBondContact O-N 2.96Å; A362-S365 PolarHBondContact O-OG 2.91Å; A362-M366 PolarHBondContact O-N 2.92Å |
| 363 | I | 93.3 | Very high | 86.4 | Confident | 13 Ų | 13 | 78.7 Ų | 78.7 | 7% | 0.067 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64 | -45.5 | 173.6 | -68.3 | 172.6 | 0 | 0 | 0 | 111.1 | L22 I46 L51 L54 I359 S360 Q361 S365 M366 H367 | L22-I363 HydrophobicContact CD1-CD1 3.62Å; L22-I363 HydrophobicContact CG-CD1 4.15Å; I46-I363 HydrophobicContact CD1-CG1 3.98Å; I46-I363 HydrophobicContact CG2-CG1 4.27Å; L51-I363 HydrophobicContact CD1-CG2 4.48Å; L51-I363 HydrophobicContact CD2-CB 4.39Å; L51-I363 HydrophobicContact CD2-CD1 4.11Å; L51-I363 HydrophobicContact CD2-CG1 3.94Å; L51-I363 HydrophobicContact CD2-CG2 3.67Å; L54-I363 HydrophobicContact CD2-CD1 4.29Å; I359-I363 HydrophobicContact CG1-CD1 4.44Å; I359-I363 WeakPolarHBondContact O-CG1 3.38Å; I359-I363 PolarHBondContact O-N 3.17Å; S360-I363 PolarHBondContact O-N 3.37Å; Q361-I363 VanDerWaalsContact C-N 3.33Å; I363-S365 VanDerWaalsContact C-N 3.28Å; I363-S365 PolarHBondContact O-N 3.22Å; I363-M366 WeakPolarHBondContact O-CB 3.38Å; I363-M366 PolarHBondContact O-N 3.46Å; I363-M366 VanDerWaalsContact O-N 3.08Å; I363-H367 PolarHBondContact O-N 3.09Å |
| 364 | D | 91.4 | Very high | 85.9 | Confident | 92 Ų | 92 | 75.4 Ų | 75.4 | 49% | 0.492 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 178.4 | -66.9 | -25.4 | 0 | 0 | 0 | 111.2 | S360 Q361 M366 H367 E368 | S360-D364 VanDerWaalsContact O-CG 3.28Å; S360-D364 PolarHBondContact O-N 3.32Å; Q361-D364 PolarHBondContact O-N 2.74Å; D364-M366 PolarHBondContact O-N 3.19Å; D364-H367 PolarHBondContact O-N 3.15Å; D364-E368 PolarHBondContact O-N 2.85Å |
| 365 | S | 88.8 | Confident | 85.2 | Confident | 43 Ų | 43 | 74.1 Ų | 74.1 | 30% | 0.301 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61 | -30.2 | 176.3 | 79.6 | 0 | 0 | 0 | 0 | 113.6 | Q361 A362 I363 | Q361-S365 PolarHBondContact O-N 2.91Å; A362-S365 PolarHBondContact O-N 2.96Å; A362-S365 PolarHBondContact O-OG 2.91Å; I363-S365 VanDerWaalsContact C-N 3.28Å; I363-S365 PolarHBondContact O-N 3.22Å |
| 366 | M | 85.8 | Confident | 84.5 | Confident | 46 Ų | 46 | 74.6 Ų | 74.6 | 23% | 0.227 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -71.5 | -38.7 | 173.8 | -77.7 | -169.5 | 62.7 | 0 | 0 | 112.3 | I46 L51 A362 I363 D364 E368 G369 | I46-M366 HydrophobicContact CB-SD 3.69Å; I46-M366 HydrophobicContact CG2-SD 3.45Å; I46-M366 WeakPolarHBondContact CG2-SD 3.5Å; I46-M366 VanDerWaalsContact O-SD 3.39Å; L51-M366 HydrophobicContact CD1-CB 4.48Å; L51-M366 HydrophobicContact CD1-CE 4.15Å; L51-M366 HydrophobicContact CD1-SD 4.29Å; A362-M366 PolarHBondContact O-N 2.92Å; I363-M366 WeakPolarHBondContact O-CB 3.38Å; I363-M366 PolarHBondContact O-N 3.46Å; I363-M366 VanDerWaalsContact O-N 3.08Å; D364-M366 PolarHBondContact O-N 3.19Å; M366-E368 VanDerWaalsContact C-N 3.31Å; M366-E368 PolarHBondContact O-N 3.25Å; M366-G369 PolarHBondContact O-N 3.35Å |
| 367 | H | 82.5 | Confident | 83.6 | Confident | 125 Ų | 125 | 76.4 Ų | 76.4 | 58% | 0.579 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -67.6 | -32.2 | -178.5 | -69.8 | 140.6 | 0 | 0 | 0 | 112.9 | I363 D364 G369 | I363-H367 PolarHBondContact O-N 3.09Å; D364-H367 PolarHBondContact O-N 3.15Å; H367-G369 PolarHBondContact O-N 3.03Å; H367-G369 VanDerWaalsContact O-N 3.14Å |
| 368 | E | 76.5 | Confident | 82.6 | Confident | 129 Ų | 129 | 75.7 Ų | 75.7 | 60% | 0.603 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.4 | 177.3 | -70.1 | -177 | -175.4 | 0 | 0 | 112.8 | D364 M366 N370 | D364-E368 PolarHBondContact O-N 2.85Å; M366-E368 VanDerWaalsContact C-N 3.31Å; M366-E368 PolarHBondContact O-N 3.25Å; E368-N370 HydrophobicContact CB-CB 4.27Å; E368-N370 PolarHBondContact O-N 2.95Å; E368-N370 PolarHBondContact O-OD1 2.82Å; E368-N370 PolarHBondContact OE2-ND2 2.67Å |
| 369 | G | 66.2 | Low | 81.5 | Confident | 37 Ų | 37 | 75.8 Ų | 75.8 | 38% | 0.381 | 39% | 0.385 | S | S | . | . | trans | 61.5 | 10.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | M366 H367 R371 | M366-G369 PolarHBondContact O-N 3.35Å; H367-G369 PolarHBondContact O-N 3.03Å; H367-G369 VanDerWaalsContact O-N 3.14Å; G369-R371 VanDerWaalsContact C-N 3.29Å; G369-R371 PolarHBondContact O-N 2.63Å | ||
| 370 | N | 51.3 | Low | 80.2 | Confident | 107 Ų | 107 | 81.4 Ų | 81.4 | 57% | 0.572 | 41% | 0.414 | S | S | * | . | trans | -80.4 | -1.2 | -166.1 | -85.4 | -27.2 | 0 | 0 | 0 | 114 | E368 | E368-N370 HydrophobicContact CB-CB 4.27Å; E368-N370 PolarHBondContact O-N 2.95Å; E368-N370 PolarHBondContact O-OD1 2.82Å; E368-N370 PolarHBondContact OE2-ND2 2.67Å | ||
| 371 | R | 45.1 | Very low | 79 | Confident | 219 Ų | 219 | 84.2 Ų | 84.2 | 83% | 0.826 | 42% | 0.419 | S | S | * | . | trans | -152.4 | 0 | -175.5 | -55 | -176.6 | -166.7 | -170.2 | 4.2 | 114.2 | T351 G369 | T351-R371 HydrophobicContact CG2-CB 3.83Å; G369-R371 VanDerWaalsContact C-N 3.29Å; G369-R371 PolarHBondContact O-N 2.63Å |
Retrieved 371 of 371 residues in 377.5 ms
(Link to these results)