| 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 | 40.3 | Very low | 32.4 | Very low | 240 Ų | 240 | 159.8 Ų | 159.8 | 100% | 1.182 | 86% | 0.857 | S | S | * | * | 0 | 87 | 0 | -146.5 | 177.6 | -165.9 | 0 | 0 | 107.4 | |||||
| 2 | T | 34.7 | Very low | 32.3 | Very low | 141 Ų | 141 | 160.8 Ų | 160.8 | 87% | 0.865 | 86% | 0.856 | S | S | * | * | trans | 155.1 | 109.1 | 139.8 | 44.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 3 | D | 30.8 | Very low | 32.1 | Very low | 159 Ų | 159 | 153.8 Ų | 153.8 | 85% | 0.85 | 85% | 0.846 | S | S | * | * | trans | -62.1 | 145.8 | 178.9 | -65.2 | -63.6 | 0 | 0 | 0 | 113.4 | ||||
| 4 | L | 34.2 | Very low | 31.9 | Very low | 180 Ų | 180 | 156.6 Ų | 156.6 | 94% | 0.942 | 85% | 0.849 | S | S | * | * | trans | -132.9 | 92.2 | 155.6 | -93.7 | 157.3 | 0 | 0 | 0 | 107.5 | ||||
| 5 | S | 34.3 | Very low | 31.9 | Very low | 107 Ų | 107 | 158.7 Ų | 158.7 | 75% | 0.748 | 85% | 0.851 | S | S | * | * | trans | -75.5 | 115.9 | 170.1 | 50.1 | 0 | 0 | 0 | 0 | 110.1 | S7 | S5-S7 PolarHBondContact O-N 2.67Š| ||
| 6 | S | 31.3 | Very low | 32.1 | Very low | 103 Ų | 103 | 154.8 Ų | 154.8 | 72% | 0.72 | 85% | 0.848 | S | S | * | * | trans | -81.9 | 97.4 | 165.6 | 166.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 7 | S | 32.6 | Very low | 32.1 | Very low | 96 Ų | 96 | 154.5 Ų | 154.5 | 67% | 0.671 | 85% | 0.845 | S | S | * | * | trans | -83.7 | 111.4 | 168.9 | 53.1 | 0 | 0 | 0 | 0 | 109.8 | S5 T9 | S5-S7 PolarHBondContact O-N 2.67Å; S7-T9 PolarHBondContact O-N 3.38Å | ||
| 8 | Y | 28.9 | Very low | 32.6 | Very low | 222 Ų | 222 | 153.3 Ų | 153.3 | 87% | 0.871 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 120.4 | 162 | -76.8 | -96.7 | 0 | 0 | 0 | 108.7 | ||
| 9 | T | 31 | Very low | 33.6 | Very low | 130 Ų | 130 | 152.6 Ų | 152.6 | 80% | 0.798 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 118.3 | 166.9 | 16.5 | 0 | 0 | 0 | 0 | 106.7 | S7 E11 | S7-T9 PolarHBondContact O-N 3.38Å; T9-E11 PolarHBondContact O-N 3.11Å |
| 10 | E | 28.8 | Very low | 35.3 | Very low | 184 Ų | 184 | 154 Ų | 154 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 117.4 | 172 | -72.2 | 171.5 | 143.6 | 0 | 0 | 109 | M12 | E10-M12 VanDerWaalsContact C-N 3.31Å; E10-M12 PolarHBondContact O-N 3.23Å |
| 11 | E | 29.8 | Very low | 37.4 | Very low | 196 Ų | 196 | 151.3 Ų | 151.3 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | trans | -67.2 | 94.3 | 162.5 | -78 | -177.6 | 159.1 | 0 | 0 | 107.7 | T9 G13 | T9-E11 PolarHBondContact O-N 3.11Å; E11-G13 PolarHBondContact O-N 2.89Å; E11-G13 VanDerWaalsContact O-N 3.12Å | ||
| 12 | M | 30.9 | Very low | 39.8 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | trans | -66.3 | 105.7 | 161.7 | -67.5 | -168.6 | 108 | 0 | 0 | 107.3 | E10 E14 | E10-M12 VanDerWaalsContact C-N 3.31Å; E10-M12 PolarHBondContact O-N 3.23Å; M12-E14 PolarHBondContact O-N 3.14Å; M12-E14 VanDerWaalsContact O-N 3.14Å | ||
| 13 | G | 29.4 | Very low | 42.7 | Very low | 70 Ų | 70 | 140.5 Ų | 140.5 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | -58.1 | 115.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | E11 E15 | E11-G13 PolarHBondContact O-N 2.89Å; E11-G13 VanDerWaalsContact O-N 3.12Å; G13-E15 VanDerWaalsContact C-N 3.26Å; G13-E15 PolarHBondContact O-N 2.96Å | ||
| 14 | E | 29.9 | Very low | 45.8 | Very low | 192 Ų | 192 | 136.4 Ų | 136.4 | 90% | 0.897 | 74% | 0.741 | S | S | * | * | trans | -65.7 | 93.9 | 158.6 | -77.4 | -177.3 | 154.9 | 0 | 0 | 107.1 | M12 A16 | M12-E14 PolarHBondContact O-N 3.14Å; M12-E14 VanDerWaalsContact O-N 3.14Å; E14-A16 VanDerWaalsContact C-N 3.31Å; E14-A16 PolarHBondContact O-N 2.89Å | ||
| 15 | E | 31.1 | Very low | 48.8 | Very low | 188 Ų | 188 | 133.7 Ų | 133.7 | 88% | 0.879 | 72% | 0.721 | S | S | * | * | trans | -57.4 | 102 | 156.3 | -77 | -174.7 | 156.1 | 0 | 0 | 107 | G13 N17 | G13-E15 VanDerWaalsContact C-N 3.26Å; G13-E15 PolarHBondContact O-N 2.96Å; E15-N17 VanDerWaalsContact C-N 3.3Å; E15-N17 PolarHBondContact O-N 3.04Å | ||
| 16 | A | 35.2 | Very low | 51.9 | Low | 96 Ų | 96 | 130.2 Ų | 130.2 | 79% | 0.793 | 69% | 0.693 | S | S | * | * | trans | -59.6 | 99.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | E14 D18 | E14-A16 VanDerWaalsContact C-N 3.31Å; E14-A16 PolarHBondContact O-N 2.89Å; A16-D18 VanDerWaalsContact C-N 3.29Å; A16-D18 PolarHBondContact O-N 3.12Å | ||
| 17 | N | 33.1 | Very low | 55.1 | Low | 151 Ų | 151 | 130.8 Ų | 130.8 | 81% | 0.807 | 68% | 0.684 | S | S | * | * | trans | -64.1 | 92.8 | 174.5 | -146.7 | 9.7 | 0 | 0 | 0 | 107.1 | E15 D19 | E15-N17 VanDerWaalsContact C-N 3.3Å; E15-N17 PolarHBondContact O-N 3.04Å; N17-D19 PolarHBondContact O-N 3.28Å | ||
| 18 | D | 41.3 | Very low | 58.2 | Low | 132 Ų | 132 | 126.6 Ų | 126.6 | 71% | 0.706 | 65% | 0.654 | S | S | * | * | trans | -67.6 | 88.4 | 172 | -167.4 | 29 | 0 | 0 | 0 | 106.7 | A16 K20 | A16-D18 VanDerWaalsContact C-N 3.29Å; A16-D18 PolarHBondContact O-N 3.12Å; D18-K20 PolarHBondContact O-N 3.48Å | ||
| 19 | D | 49.9 | Very low | 61.5 | Low | 140 Ų | 140 | 121.8 Ų | 121.8 | 75% | 0.749 | 64% | 0.639 | S | S | * | * | trans | -56.6 | 87.3 | 169.7 | -103.3 | -22.1 | 0 | 0 | 0 | 107.5 | N17 K21 | N17-D19 PolarHBondContact O-N 3.28Å; D19-K21 PolarHBondContact O-N 2.88Å | ||
| 20 | K | 67.6 | Low | 64.7 | Low | 181 Ų | 181 | 123.7 Ų | 123.7 | 79% | 0.787 | 63% | 0.632 | S | S | * | * | trans | -60.3 | 101.9 | 179.9 | -80.6 | -177.5 | 179.8 | 174.1 | 0 | 108 | D18 | D18-K20 PolarHBondContact O-N 3.48Š| ||
| 21 | K | 81.1 | Confident | 67.9 | Low | 98 Ų | 98 | 118.5 Ų | 118.5 | 43% | 0.426 | 61% | 0.608 | S | S | . | * | trans | -47.7 | 137.5 | 173.5 | -70.1 | -173.8 | 177.6 | -174.1 | 0 | 108.8 | D19 T23 | D19-K21 PolarHBondContact O-N 2.88Å; K21-T23 WeakPolarHBondContact O-CG2 3.46Å; K21-T23 PolarHBondContact O-N 3.39Å | ||
| 22 | P | 90.1 | Very high | 71.2 | Confident | 71 Ų | 71 | 109.3 Ų | 109.3 | 46% | 0.461 | 57% | 0.565 | S | S | . | * | trans | -57.3 | 130 | 179.8 | 24.6 | -33.6 | 0 | 0 | 0 | 109.1 | S87 G88 R89 | P22-S87 WeakPolarHBondContact O-CA 3.33Å; P22-G88 PolarHBondContact O-N 2.86Å; P22-R89 HydrophobicContact CG-CG 4.18Å | ||
| 23 | T | 94.6 | Very high | 74.3 | Confident | 82 Ų | 82 | 101.6 Ų | 101.6 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 133.6 | 179.8 | 63.5 | 0 | 0 | 0 | 0 | 110.9 | K21 L86 S87 | K21-T23 WeakPolarHBondContact O-CG2 3.46Å; K21-T23 PolarHBondContact O-N 3.39Å; T23-L86 CarbonylContact C-O 3.44Å; T23-L86 VanDerWaalsContact CA-O 3.23Å; T23-L86 WeakPolarHBondContact CA-O 3.48Å; T23-S87 WeakPolarHBondContact CG2-OG 3.36Å |
| 24 | T | 96.8 | Very high | 77.6 | Confident | 74 Ų | 74 | 98.2 Ų | 98.2 | 45% | 0.454 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 129.9 | 177.2 | -50.8 | 0 | 0 | 0 | 0 | 109.5 | F26 Q85 L86 | T24-F26 HydrophobicContact CG2-CD2 4.3Å; T24-F26 HydrophobicContact CG2-CE1 4.28Å; T24-F26 HydrophobicContact CG2-CE2 3.56Å; T24-F26 HydrophobicContact CG2-CZ 3.55Å; T24-Q85 WeakPolarHBondContact O-CA 3.49Å; T24-L86 PolarHBondContact N-O 2.88Å; T24-L86 PolarHBondContact O-N 2.83Å |
| 25 | K | 97.6 | Very high | 80.8 | Confident | 123 Ų | 123 | 90 Ų | 90 | 54% | 0.535 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 135.6 | 178.6 | -172.2 | -178.2 | 174.9 | -157.2 | 0 | 109.5 | E27 L49 S83 V84 | K25-E27 WeakPolarHBondContact CE-OE1 3.4Å; K25-E27 IonicContact NZ-OE1 3.54Å; K25-E27 PolarHBondContact NZ-OE1 2.94Å; K25-L49 HydrophobicContact CD-CD1 4.2Å; K25-L49 HydrophobicContact CG-CD1 4.24Å; K25-S83 WeakPolarHBondContact CE-OG 3.47Å; K25-V84 WeakPolarHBondContact CA-O 3.21Å |
| 26 | F | 98.3 | Very high | 83.9 | Confident | 34 Ų | 34 | 81.1 Ų | 81.1 | 15% | 0.149 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128.2 | 178.1 | -62.4 | -92.1 | 0 | 0 | 0 | 109.8 | T24 L28 L34 S83 V84 L86 A93 V95 | T24-F26 HydrophobicContact CG2-CD2 4.3Å; T24-F26 HydrophobicContact CG2-CE1 4.28Å; T24-F26 HydrophobicContact CG2-CE2 3.56Å; T24-F26 HydrophobicContact CG2-CZ 3.55Å; F26-L28 HydrophobicContact CB-CD1 3.79Å; F26-L34 HydrophobicContact CB-CD2 4.18Å; F26-L34 HydrophobicContact CD1-CD1 3.7Å; F26-L34 HydrophobicContact CD2-CD1 4.18Å; F26-L34 HydrophobicContact CD2-CD2 3.77Å; F26-L34 HydrophobicContact CE1-CD1 3.85Å; F26-L34 HydrophobicContact CE2-CD1 4.32Å; F26-L34 HydrophobicContact CE2-CD2 4.3Å; F26-L34 HydrophobicContact CG-CD1 3.87Å; F26-L34 HydrophobicContact CG-CD2 3.94Å; F26-L34 HydrophobicContact CZ-CD1 4.16Å; F26-S83 WeakPolarHBondContact O-CA 3.48Å; F26-V84 HydrophobicContact CB-CG2 3.94Å; F26-V84 PolarHBondContact N-O 2.79Å; F26-V84 PolarHBondContact O-N 3.41Å; F26-L86 HydrophobicContact CD2-CD1 4.44Å; F26-L86 HydrophobicContact CD2-CG 4.33Å; F26-L86 HydrophobicContact CE2-CB 4.31Å; F26-L86 HydrophobicContact CE2-CD1 3.79Å; F26-L86 HydrophobicContact CE2-CG 4Å; F26-L86 HydrophobicContact CZ-CD1 4.47Å; F26-A93 HydrophobicContact CZ-CB 3.88Å; F26-V95 HydrophobicContact CD1-CG2 4.19Å |
| 27 | E | 98.3 | Very high | 86.8 | Confident | 115 Ų | 115 | 78.3 Ų | 78.3 | 54% | 0.537 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 121.6 | 169.6 | -60.4 | -65.2 | 168.9 | 0 | 0 | 107.9 | K25 S83 | K25-E27 WeakPolarHBondContact CE-OE1 3.4Å; K25-E27 IonicContact NZ-OE1 3.54Å; K25-E27 PolarHBondContact NZ-OE1 2.94Å; E27-S83 PolarHBondContact OE1-OG 3.48Å; E27-S83 WeakPolarHBondContact OE2-CB 3.46Å; E27-S83 PolarHBondContact OE2-OG 2.9Å |
| 28 | L | 98.4 | Very high | 89.6 | Confident | 8 Ų | 8 | 71.2 Ų | 71.2 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 124.8 | 179.7 | -76.7 | 67.5 | 0 | 0 | 0 | 108.5 | F26 L34 V76 T78 G81 C82 V84 V95 | F26-L28 HydrophobicContact CB-CD1 3.79Å; L28-L34 HydrophobicContact CD1-CB 4.19Å; L28-L34 HydrophobicContact CD2-CB 3.97Å; L28-L34 HydrophobicContact CG-CB 4.44Å; L28-V76 WeakPolarHBondContact CD2-O 3.44Å; L28-T78 HydrophobicContact CB-CG2 3.68Å; L28-T78 HydrophobicContact CD2-CG2 4.22Å; L28-G81 WeakPolarHBondContact O-CA 3.35Å; L28-C82 PolarHBondContact N-O 2.77Å; L28-C82 PolarHBondContact O-N 2.95Å; L28-V84 HydrophobicContact CD1-CG2 3.83Å; L28-V95 HydrophobicContact CD1-CG2 4.41Å; L28-V95 HydrophobicContact CG-CG2 4.5Å |
| 29 | E | 98.1 | Very high | 91.7 | Very high | 120 Ų | 120 | 68.7 Ų | 68.7 | 56% | 0.561 | 33% | 0.328 | S | S | * | . | trans | -70.4 | 164.8 | 168.2 | -66.4 | 177.7 | 173 | 0 | 0 | 110.2 | E31 T32 T78 K97 | E29-E31 PolarHBondContact O-N 2.93Å; E29-T32 HydrophobicContact CB-CG2 4.04Å; E29-T32 PolarHBondContact N-OG1 3.47Å; E29-T32 PolarHBondContact O-N 2.97Å; E29-T32 PolarHBondContact O-OG1 3.38Å; E29-T78 VanDerWaalsContact O-CG2 3.28Å; E29-T78 WeakPolarHBondContact O-CG2 3.3Å; E29-K97 WeakPolarHBondContact OE2-CE 3.36Å; E29-K97 IonicContact OE2-NZ 2.85Å; E29-K97 PolarHBondContact OE2-NZ 3.39Å | ||
| 30 | R | 97.6 | Very high | 93.2 | Very high | 170 Ų | 170 | 65.6 Ų | 65.6 | 64% | 0.642 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 138.8 | 172 | 172 | 170.5 | 76.4 | -173.4 | 2.6 | 111.1 | T32 W79 | R30-T32 VanDerWaalsContact C-N 3.28Å; R30-T32 PolarHBondContact O-N 3Å; R30-W79 WeakPolarHBondContact CD-O 3.39Å; R30-W79 VanDerWaalsContact CG-O 3.26Å; R30-W79 WeakPolarHBondContact CG-O 3.42Å |
| 31 | E | 97.3 | Very high | 94 | Very high | 75 Ų | 75 | 62.4 Ų | 62.4 | 35% | 0.35 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 33.1 | 175.7 | -67.4 | 161.7 | -153.2 | 0 | 0 | 113.4 | E29 F77 T78 W79 | E29-E31 PolarHBondContact O-N 2.93Å; E31-F77 HydrophobicContact CB-CZ 4.39Å; E31-F77 HydrophobicContact CG-CZ 4.5Å; E31-T78 WeakPolarHBondContact CA-O 3.34Å; E31-T78 PolarHBondContact N-O 3.34Å; E31-W79 HydrophobicContact CG-CE3 4.27Å; E31-W79 HydrophobicContact CG-CZ3 4.42Å |
| 32 | T | 97.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 159.7 | 173.9 | 69.4 | 0 | 0 | 0 | 0 | 111.1 | E29 R30 F77 T78 S96 K97 | E29-T32 HydrophobicContact CB-CG2 4.04Å; E29-T32 PolarHBondContact N-OG1 3.47Å; E29-T32 PolarHBondContact O-N 2.97Å; E29-T32 PolarHBondContact O-OG1 3.38Å; R30-T32 VanDerWaalsContact C-N 3.28Å; R30-T32 PolarHBondContact O-N 3Å; T32-F77 WeakPolarHBondContact O-CD2 3.38Å; T32-T78 PolarHBondContact O-N 3.29Å; T32-S96 WeakPolarHBondContact CA-O 3.11Å; T32-S96 WeakPolarHBondContact CB-O 3.36Å; T32-K97 HydrophobicContact CG2-CB 4.37Å; T32-K97 HydrophobicContact CG2-CD 4.47Å; T32-K97 HydrophobicContact CG2-CG 3.79Å |
| 33 | E | 97.9 | Very high | 94.5 | Very high | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.047 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 142.2 | 171.2 | 61.7 | -169.1 | -163.8 | 0 | 0 | 113 | R35 V76 F77 V95 S96 T99 | E33-R35 HydrophobicContact CG-CG 4.12Å; E33-R35 IonicContact OE1-CZ 2.83Å; E33-R35 IonicContact OE1-NE 2.65Å; E33-R35 PolarHBondContact OE1-NE 3.26Å; E33-R35 IonicContact OE1-NH2 3.78Å; E33-R35 PolarHBondContact OE1-NH2 3.08Å; E33-V76 CarbonylContact C-O 3.56Å; E33-V76 WeakPolarHBondContact CA-O 3.27Å; E33-V76 WeakPolarHBondContact CB-O 3.2Å; E33-F77 HydrophobicContact CB-CB 4.07Å; E33-F77 HydrophobicContact CB-CD2 3.99Å; E33-V95 CarbonylContact O-C 3.55Å; E33-V95 WeakPolarHBondContact O-CA 2.87Å; E33-S96 PolarHBondContact N-O 2.9Å; E33-S96 PolarHBondContact O-N 3.48Å; E33-T99 HydrophobicContact CB-CG2 4.43Å; E33-T99 VanDerWaalsContact CD-CG2 3.47Å; E33-T99 HydrophobicContact CG-CG2 3.57Å |
| 34 | L | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 119.6 | 163.9 | 172.4 | 64.4 | 0 | 0 | 0 | 108.4 | F26 L28 F36 A75 V76 V84 L86 V95 | F26-L34 HydrophobicContact CB-CD2 4.18Å; F26-L34 HydrophobicContact CD1-CD1 3.7Å; F26-L34 HydrophobicContact CD2-CD1 4.18Å; F26-L34 HydrophobicContact CD2-CD2 3.77Å; F26-L34 HydrophobicContact CE1-CD1 3.85Å; F26-L34 HydrophobicContact CE2-CD1 4.32Å; F26-L34 HydrophobicContact CE2-CD2 4.3Å; F26-L34 HydrophobicContact CG-CD1 3.87Å; F26-L34 HydrophobicContact CG-CD2 3.94Å; F26-L34 HydrophobicContact CZ-CD1 4.16Å; L28-L34 HydrophobicContact CD1-CB 4.19Å; L28-L34 HydrophobicContact CD2-CB 3.97Å; L28-L34 HydrophobicContact CG-CB 4.44Å; L34-F36 HydrophobicContact CD2-CD1 4.48Å; L34-F36 HydrophobicContact CG-CD1 4.37Å; L34-A75 CarbonylContact O-C 3.58Å; L34-A75 WeakPolarHBondContact O-CA 3.39Å; L34-V76 HydrophobicContact CB-CB 4.32Å; L34-V76 PolarHBondContact N-O 2.84Å; L34-V76 PolarHBondContact O-N 2.82Å; L34-V84 HydrophobicContact CD2-CG2 3.52Å; L34-L86 HydrophobicContact CD2-CD1 4.08Å; L34-L86 HydrophobicContact CD2-CG 4.22Å; L34-V95 HydrophobicContact CD1-CG2 4.3Å |
| 35 | R | 97.6 | Very high | 94.7 | Very high | 19 Ų | 19 | 54.8 Ų | 54.8 | 7% | 0.072 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 129.9 | 171.8 | -63.1 | 176.5 | -178.5 | 156.4 | 10.6 | 108.7 | E33 V74 A75 A93 Y94 S96 D98 S293 | E33-R35 HydrophobicContact CG-CG 4.12Å; E33-R35 IonicContact OE1-CZ 2.83Å; E33-R35 IonicContact OE1-NE 2.65Å; E33-R35 PolarHBondContact OE1-NE 3.26Å; E33-R35 IonicContact OE1-NH2 3.78Å; E33-R35 PolarHBondContact OE1-NH2 3.08Å; R35-V74 WeakPolarHBondContact CA-O 3.39Å; R35-A75 HydrophobicContact CG-CB 4.41Å; R35-A93 CarbonylContact O-C 3.52Å; R35-A93 VanDerWaalsContact O-CA 3.31Å; R35-A93 WeakPolarHBondContact O-CA 3.11Å; R35-Y94 HydrophobicContact CB-CE1 4.05Å; R35-Y94 HydrophobicContact CB-CE2 4.28Å; R35-Y94 VanDerWaalsContact CD-OH 3.26Å; R35-Y94 WeakPolarHBondContact CD-OH 3.26Å; R35-Y94 HydrophobicContact CG-CE2 4.48Å; R35-Y94 PolarHBondContact N-O 3.46Å; R35-Y94 PolarHBondContact O-N 3.29Å; R35-S96 PolarHBondContact NH1-OG 3.47Å; R35-S96 PolarHBondContact NH2-OG 2.9Å; R35-D98 PolarHBondContact NH2-O 3.5Å; R35-S293 PolarHBondContact NH2-OG 2.66Å |
| 36 | F | 96.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.009 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 152.9 | 172.9 | 70.6 | -89.3 | 0 | 0 | 0 | 112.8 | L34 V38 V44 F68 V74 V76 L86 T90 V92 A93 | L34-F36 HydrophobicContact CD2-CD1 4.48Å; L34-F36 HydrophobicContact CG-CD1 4.37Å; F36-V38 HydrophobicContact CD2-CG2 4.33Å; F36-V38 HydrophobicContact CE2-CG2 4.1Å; F36-V44 HydrophobicContact CD2-CG1 4.46Å; F36-V44 HydrophobicContact CE2-CG1 4.13Å; F36-F68 HydrophobicContact CE2-CB 4.49Å; F36-F68 HydrophobicContact CE2-CD2 4.2Å; F36-F68 HydrophobicContact CE2-CG 4.42Å; F36-F68 AromaticContact CZ-CD2 3.8Å; F36-F68 HydrophobicContact CZ-CD2 3.8Å; F36-F68 HydrophobicContact CZ-CE2 4.02Å; F36-F68 HydrophobicContact CZ-CG 4.32Å; F36-V74 HydrophobicContact CD1-CB 4.06Å; F36-V74 HydrophobicContact CD1-CG1 4.42Å; F36-V74 HydrophobicContact CD2-CB 4.42Å; F36-V74 HydrophobicContact CE1-CB 3.54Å; F36-V74 HydrophobicContact CE1-CG1 3.57Å; F36-V74 HydrophobicContact CE1-CG2 4.34Å; F36-V74 HydrophobicContact CE2-CB 3.93Å; F36-V74 HydrophobicContact CE2-CG2 3.93Å; F36-V74 HydrophobicContact CG-CB 4.49Å; F36-V74 HydrophobicContact CZ-CB 3.47Å; F36-V74 VanDerWaalsContact CZ-CB 3.47Å; F36-V74 HydrophobicContact CZ-CG1 3.68Å; F36-V74 HydrophobicContact CZ-CG2 3.74Å; F36-V74 PolarHBondContact N-O 2.97Å; F36-V74 PolarHBondContact O-N 3.4Å; F36-V76 HydrophobicContact CE1-CG2 3.98Å; F36-L86 HydrophobicContact CB-CD1 4Å; F36-L86 HydrophobicContact CD1-CD1 4.03Å; F36-L86 HydrophobicContact CD1-CD2 4.18Å; F36-L86 HydrophobicContact CD2-CD1 4.39Å; F36-L86 HydrophobicContact CE1-CD2 3.95Å; F36-L86 HydrophobicContact CE2-CD2 4.49Å; F36-L86 HydrophobicContact CG-CD1 3.89Å; F36-L86 HydrophobicContact CZ-CD2 4.11Å; F36-T90 HydrophobicContact CB-CG2 4.28Å; F36-T90 HydrophobicContact CD2-CG2 4.29Å; F36-V92 CarbonylContact C-O 3.56Å; F36-V92 WeakPolarHBondContact CA-O 3.38Å; F36-V92 WeakPolarHBondContact CB-O 3.5Å; F36-A93 HydrophobicContact CB-CB 3.96Å |
| 37 | E | 94.4 | Very high | 94.7 | Very high | 37 Ų | 37 | 48.8 Ų | 48.8 | 17% | 0.173 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133.2 | 175.4 | -57.2 | -162.4 | -145.4 | 0 | 0 | 109.9 | A72 K73 T90 E91 V92 V297 | E37-A72 WeakPolarHBondContact CA-O 3.49Å; E37-K73 HydrophobicContact CG-CG 3.98Å; E37-K73 WeakPolarHBondContact OE2-CE 3.41Å; E37-K73 IonicContact OE2-NZ 2.69Å; E37-K73 PolarHBondContact OE2-NZ 3.3Å; E37-T90 CarbonylContact O-C 3.37Å; E37-T90 VanDerWaalsContact O-CA 3.31Å; E37-T90 WeakPolarHBondContact O-CA 3.43Å; E37-T90 WeakPolarHBondContact O-CB 3.19Å; E37-E91 HydrophobicContact CB-CB 4.42Å; E37-E91 PolarHBondContact O-N 3.14Å; E37-V92 PolarHBondContact N-O 3Å; E37-V297 WeakPolarHBondContact OE1-CG2 3.32Å |
| 38 | V | 92.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 123.5 | 178.3 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | F36 Q42 V44 F68 D69 G71 A72 | F36-V38 HydrophobicContact CD2-CG2 4.33Å; F36-V38 HydrophobicContact CE2-CG2 4.1Å; V38-Q42 HydrophobicContact CG1-CB 4.41Å; V38-Q42 WeakPolarHBondContact CG1-O 3.41Å; V38-V44 HydrophobicContact CB-CG2 4.49Å; V38-V44 HydrophobicContact CG1-CG2 4.04Å; V38-V44 HydrophobicContact CG2-CB 4.02Å; V38-V44 HydrophobicContact CG2-CG2 4.07Å; V38-F68 HydrophobicContact CG2-CB 3.86Å; V38-D69 WeakPolarHBondContact CB-O 3.37Å; V38-G71 PolarHBondContact O-N 3.3Å; V38-G71 VanDerWaalsContact O-N 3.09Å; V38-A72 HydrophobicContact CB-CB 4.38Å; V38-A72 HydrophobicContact CG2-CB 3.89Å; V38-A72 PolarHBondContact N-O 3.45Å |
| 39 | E | 85.1 | Confident | 94.7 | Very high | 78 Ų | 78 | 44.7 Ų | 44.7 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -57.9 | 151.3 | 178 | -172.3 | 179.6 | -173.9 | 0 | 0 | 111.3 | S41 Q42 R89 E91 | E39-S41 PolarHBondContact O-N 3.02Å; E39-Q42 HydrophobicContact CB-CB 4.22Å; E39-Q42 HydrophobicContact CB-CG 3.99Å; E39-Q42 HydrophobicContact CG-CG 4.31Å; E39-Q42 PolarHBondContact O-N 3.4Å; E39-Q42 VanDerWaalsContact O-N 3.15Å; E39-R89 WeakPolarHBondContact OE2-CB 3.49Å; E39-E91 HydrophobicContact CB-CB 4.38Å |
| 40 | A | 82.2 | Confident | 94.7 | Very high | 75 Ų | 75 | 42.1 Ų | 42.1 | 62% | 0.62 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | 136.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q42 | A40-Q42 PolarHBondContact O-N 2.87Å; A40-Q42 VanDerWaalsContact O-N 3.13Å |
| 41 | S | 83.6 | Confident | 94.7 | Very high | 114 Ų | 114 | 36.3 Ų | 36.3 | 80% | 0.797 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 14.1 | -179 | -49.9 | 0 | 0 | 0 | 0 | 115.8 | E39 A70 | E39-S41 PolarHBondContact O-N 3.02Å; S41-A70 VanDerWaalsContact N-CB 3.34Å |
| 42 | Q | 89.9 | Confident | 94.7 | Very high | 74 Ų | 74 | 38 Ų | 38 | 35% | 0.346 | 23% | 0.226 | S | C | . | . | trans | -110.4 | 166.3 | 175.9 | -61.5 | -61 | -49.4 | 0 | 0 | 111.5 | V38 E39 A40 A70 R89 | V38-Q42 HydrophobicContact CG1-CB 4.41Å; V38-Q42 WeakPolarHBondContact CG1-O 3.41Å; E39-Q42 HydrophobicContact CB-CB 4.22Å; E39-Q42 HydrophobicContact CB-CG 3.99Å; E39-Q42 HydrophobicContact CG-CG 4.31Å; E39-Q42 PolarHBondContact O-N 3.4Å; E39-Q42 VanDerWaalsContact O-N 3.15Å; A40-Q42 PolarHBondContact O-N 2.87Å; A40-Q42 VanDerWaalsContact O-N 3.13Å; Q42-A70 PolarHBondContact O-N 2.86Å; Q42-R89 HydrophobicContact CG-CB 4.23Å | ||
| 43 | S | 93.4 | Very high | 94.7 | Very high | 34 Ų | 34 | 38.2 Ų | 38.2 | 24% | 0.238 | 23% | 0.228 | C | C | . | . | trans | -129.2 | 142.3 | 166.5 | 54.3 | 0 | 0 | 0 | 0 | 110.3 | F68 | S43-F68 CarbonylContact C-O 3.55Å; S43-F68 VanDerWaalsContact CA-O 3.27Å; S43-F68 WeakPolarHBondContact CA-O 3.39Å | ||
| 44 | V | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 130.2 | 178.9 | 172.5 | 0 | 0 | 0 | 0 | 109.3 | F36 V38 F68 L86 S87 R89 T90 | F36-V44 HydrophobicContact CD2-CG1 4.46Å; F36-V44 HydrophobicContact CE2-CG1 4.13Å; V38-V44 HydrophobicContact CB-CG2 4.49Å; V38-V44 HydrophobicContact CG1-CG2 4.04Å; V38-V44 HydrophobicContact CG2-CB 4.02Å; V38-V44 HydrophobicContact CG2-CG2 4.07Å; V44-F68 PolarHBondContact N-O 2.97Å; V44-F68 PolarHBondContact O-N 3.21Å; V44-L86 HydrophobicContact CG1-CB 4.19Å; V44-L86 HydrophobicContact CG1-CD2 3.93Å; V44-L86 HydrophobicContact CG1-CG 4.47Å; V44-S87 WeakPolarHBondContact CA-O 3.47Å; V44-R89 WeakPolarHBondContact CG2-O 3.41Å; V44-T90 HydrophobicContact CG1-CG2 4.18Å; V44-T90 HydrophobicContact CG2-CG2 3.79Å |
| 45 | Q | 97.5 | Very high | 94.8 | Very high | 57 Ų | 57 | 38 Ų | 38 | 27% | 0.266 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 128.4 | 172.1 | -65.3 | -173.8 | -19.5 | 0 | 0 | 110.4 | F66 T67 L86 S87 | Q45-F66 CarbonylContact C-O 3.57Å; Q45-F66 VanDerWaalsContact CA-O 3.27Å; Q45-F66 WeakPolarHBondContact CA-O 3.42Å; Q45-T67 HydrophobicContact CG-CG2 4.44Å; Q45-L86 CarbonylContact O-C 3.54Å; Q45-L86 VanDerWaalsContact O-CA 3.29Å; Q45-L86 WeakPolarHBondContact O-CA 3.45Å; Q45-S87 PolarHBondContact N-O 2.92Å; Q45-S87 PolarHBondContact O-N 2.99Å |
| 46 | L | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 134.9 | 171.6 | 174.9 | 73.6 | 0 | 0 | 0 | 109.7 | I55 L60 K65 F66 F68 V76 V84 Q85 L86 | L46-I55 HydrophobicContact CD2-CD1 3.62Å; L46-L60 HydrophobicContact CD2-CD1 3.91Å; L46-K65 WeakPolarHBondContact O-CA 3.47Å; L46-F66 PolarHBondContact N-O 2.85Å; L46-F66 PolarHBondContact O-N 2.93Å; L46-F68 HydrophobicContact CB-CD2 4.33Å; L46-F68 HydrophobicContact CB-CE2 3.81Å; L46-F68 HydrophobicContact CD2-CE2 4Å; L46-F68 HydrophobicContact CD2-CZ 4.48Å; L46-V76 HydrophobicContact CD1-CG2 4.08Å; L46-V76 HydrophobicContact CD2-CG2 3.59Å; L46-V84 HydrophobicContact CD1-CB 4.01Å; L46-V84 HydrophobicContact CD1-CG2 4.36Å; L46-Q85 CarbonylContact C-O 3.59Å; L46-Q85 WeakPolarHBondContact CA-O 3.46Å; L46-L86 HydrophobicContact CB-CD2 3.99Å; L46-L86 HydrophobicContact CD1-CD2 3.47Å; L46-L86 VanDerWaalsContact CD1-CD2 3.47Å; L46-L86 HydrophobicContact CG-CD2 4.33Å |
| 47 | E | 98.3 | Very high | 94.8 | Very high | 31 Ų | 31 | 39.1 Ų | 39.1 | 15% | 0.145 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 130.5 | 173.1 | -171.8 | 174.1 | 168.6 | 0 | 0 | 110.7 | L49 N63 K65 V84 Q85 | E47-L49 HydrophobicContact CG-CD2 4.13Å; E47-N63 WeakPolarHBondContact OE1-CA 3.38Å; E47-K65 HydrophobicContact CB-CG 4.41Å; E47-K65 HydrophobicContact CG-CG 4.4Å; E47-K65 WeakPolarHBondContact OE2-CE 3.43Å; E47-V84 CarbonylContact O-C 3.52Å; E47-V84 VanDerWaalsContact O-CA 3.3Å; E47-V84 WeakPolarHBondContact O-CA 3.4Å; E47-Q85 PolarHBondContact N-O 2.92Å; E47-Q85 PolarHBondContact O-N 3.34Å |
| 48 | L | 98.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 115 | 170.3 | 176 | 67.2 | 0 | 0 | 0 | 109.4 | T50 A53 L60 R62 N63 C82 V84 | L48-T50 VanDerWaalsContact CD1-O 3.3Å; L48-T50 WeakPolarHBondContact CD1-O 3.22Å; L48-A53 HydrophobicContact CD1-CB 3.9Å; L48-A53 HydrophobicContact CD2-CB 4.48Å; L48-L60 HydrophobicContact CB-CB 4.22Å; L48-L60 HydrophobicContact CD2-CB 3.96Å; L48-R62 WeakPolarHBondContact O-CA 3.34Å; L48-N63 PolarHBondContact O-N 2.77Å; L48-C82 HydrophobicContact CD1-CB 3.83Å; L48-V84 HydrophobicContact CD1-CG1 3.87Å |
| 49 | L | 98.2 | Very high | 95.2 | Very high | 36 Ų | 36 | 43.5 Ų | 43.5 | 19% | 0.188 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -45.9 | -177.4 | -56.9 | -179.7 | 0 | 0 | 0 | 112.3 | K25 E47 R62 S83 Q85 | K25-L49 HydrophobicContact CD-CD1 4.2Å; K25-L49 HydrophobicContact CG-CD1 4.24Å; E47-L49 HydrophobicContact CG-CD2 4.13Å; L49-R62 PolarHBondContact O-NE 3.3Å; L49-R62 PolarHBondContact O-NH2 2.79Å; L49-S83 WeakPolarHBondContact CB-O 3.24Å; L49-S83 PolarHBondContact N-O 3.37Å; L49-Q85 HydrophobicContact CD1-CB 4.07Å; L49-Q85 HydrophobicContact CD2-CB 4.31Å; L49-Q85 HydrophobicContact CG-CB 4.22Å |
| 50 | T | 98 | Very high | 95.8 | Very high | 66 Ų | 66 | 40.5 Ų | 40.5 | 41% | 0.405 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 158.8 | -178.6 | 63.3 | 0 | 0 | 0 | 0 | 111.5 | L48 C82 S83 | L48-T50 VanDerWaalsContact CD1-O 3.3Å; L48-T50 WeakPolarHBondContact CD1-O 3.22Å; T50-C82 WeakPolarHBondContact O-CA 3.36Å; T50-C82 VanDerWaalsContact O-CB 3.26Å; T50-C82 WeakPolarHBondContact O-CB 3.39Å; T50-S83 PolarHBondContact N-O 3.32Å; T50-S83 PolarHBondContact O-N 2.94Å; T50-S83 WeakPolarHBondContact OG1-CB 3.28Å |
| 51 | G | 97.8 | Very high | 96.5 | Very high | 48 Ų | 48 | 41 Ų | 41 | 50% | 0.495 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 78.7 | -155.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 52 | M | 97.9 | Very high | 97.1 | Very high | 111 Ų | 111 | 42.8 Ų | 42.8 | 55% | 0.547 | 23% | 0.225 | S | C | . | . | trans | -127.8 | 136.6 | 179.5 | -67.5 | -178.4 | -79.6 | 0 | 0 | 109.6 | T78 H80 | M52-T78 VanDerWaalsContact O-CB 3.25Å; M52-T78 WeakPolarHBondContact O-CB 3.39Å; M52-T78 PolarHBondContact O-OG1 2.91Å; M52-H80 HydrophobicContact CE-CB 4.09Å; M52-H80 WeakPolarHBondContact CE-CD2 3.47Å | ||
| 53 | A | 98.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | trans | -146.8 | 159 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L48 L60 V76 F77 C82 | L48-A53 HydrophobicContact CD1-CB 3.9Å; L48-A53 HydrophobicContact CD2-CB 4.48Å; A53-L60 HydrophobicContact CB-CD1 4.03Å; A53-L60 HydrophobicContact CB-CG 4.43Å; A53-L60 PolarHBondContact O-N 3.16Å; A53-V76 HydrophobicContact CB-CG1 3.87Å; A53-F77 CarbonylContact C-O 3.58Å; A53-F77 VanDerWaalsContact CA-O 3.26Å; A53-F77 WeakPolarHBondContact CA-O 3.38Å; A53-C82 HydrophobicContact CB-CB 4.29Å | ||
| 54 | E | 98.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.019 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 150.2 | 178.5 | 61 | -174.8 | -162.5 | 0 | 0 | 111.8 | T58 F77 W79 M101 Y148 R151 | E54-T58 CarbonylContact C-O 3.57Å; E54-T58 WeakPolarHBondContact CA-O 3.46Å; E54-T58 VanDerWaalsContact CB-O 3.27Å; E54-T58 WeakPolarHBondContact CB-O 3.43Å; E54-F77 HydrophobicContact CG-CB 4.47Å; E54-F77 HydrophobicContact CG-CD1 4.42Å; E54-F77 PolarHBondContact N-O 3.29Å; E54-F77 PolarHBondContact O-N 3.04Å; E54-W79 PolarHBondContact OE1-NE1 3.03Å; E54-M101 WeakPolarHBondContact OE1-CE 3.4Å; E54-Y148 PolarHBondContact OE1-OH 3.32Å; E54-R151 IonicContact OE2-CZ 3.13Å; E54-R151 IonicContact OE2-NH1 2.86Å; E54-R151 PolarHBondContact OE2-NH1 3.09Å; E54-R151 IonicContact OE2-NH2 3.55Å |
| 55 | I | 98.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 112.7 | 169 | -68.4 | 174.9 | 0 | 0 | 0 | 107.3 | L46 G57 T58 L60 F68 V74 V76 V185 | L46-I55 HydrophobicContact CD2-CD1 3.62Å; I55-G57 PolarHBondContact O-N 3.4Å; I55-G57 VanDerWaalsContact O-N 3.13Å; I55-T58 PolarHBondContact N-O 3.13Å; I55-T58 WeakPolarHBondContact O-CB 3.4Å; I55-T58 PolarHBondContact O-N 3.36Å; I55-L60 HydrophobicContact CD1-CD1 4.41Å; I55-L60 HydrophobicContact CD1-CD2 3.95Å; I55-L60 HydrophobicContact CG1-CD1 4.39Å; I55-L60 HydrophobicContact CG1-CD2 4.05Å; I55-F68 HydrophobicContact CD1-CE2 4.41Å; I55-F68 HydrophobicContact CD1-CZ 3.68Å; I55-V74 HydrophobicContact CD1-CG1 3.73Å; I55-V74 HydrophobicContact CG1-CG1 4.23Å; I55-V74 HydrophobicContact CG2-CG1 4.27Å; I55-V76 HydrophobicContact CD1-CG2 4.04Å; I55-V76 HydrophobicContact CG1-CB 4.46Å; I55-V76 HydrophobicContact CG1-CG2 4Å; I55-V185 HydrophobicContact CD1-CG1 3.69Å |
| 56 | F | 96.3 | Very high | 97.5 | Very high | 44 Ų | 44 | 49.3 Ų | 49.3 | 19% | 0.193 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 42.1 | 179.5 | -47.8 | -44.2 | 0 | 0 | 0 | 113.1 | A75 T140 R143 L144 N147 | F56-A75 HydrophobicContact CE1-CB 4.01Å; F56-A75 HydrophobicContact CZ-CB 4.49Å; F56-T140 HydrophobicContact CD1-CG2 3.29Å; F56-T140 HydrophobicContact CD2-CG2 4.45Å; F56-T140 HydrophobicContact CE1-CG2 3.44Å; F56-T140 VanDerWaalsContact CE1-CG2 3.44Å; F56-T140 HydrophobicContact CG-CG2 3.84Å; F56-T140 HydrophobicContact CZ-CG2 4.11Å; F56-R143 HydrophobicContact CB-CG 4.23Å; F56-L144 WeakPolarHBondContact O-CA 3.32Å; F56-N147 PolarHBondContact O-ND2 2.93Å |
| 57 | G | 97.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | -6.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | I55 R151 | I55-G57 PolarHBondContact O-N 3.4Å; I55-G57 VanDerWaalsContact O-N 3.13Å; G57-R151 VanDerWaalsContact O-CD 3.28Å; G57-R151 WeakPolarHBondContact O-CD 3.27Å; G57-R151 PolarHBondContact O-NH1 3.24Å |
| 58 | T | 97.9 | Very high | 97.3 | Very high | 12 Ų | 12 | 49.9 Ų | 49.9 | 7% | 0.074 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 121 | 170.5 | -60.8 | 0 | 0 | 0 | 0 | 109.7 | E54 I55 N147 A183 V185 | E54-T58 CarbonylContact C-O 3.57Å; E54-T58 WeakPolarHBondContact CA-O 3.46Å; E54-T58 VanDerWaalsContact CB-O 3.27Å; E54-T58 WeakPolarHBondContact CB-O 3.43Å; I55-T58 PolarHBondContact N-O 3.13Å; I55-T58 WeakPolarHBondContact O-CB 3.4Å; I55-T58 PolarHBondContact O-N 3.36Å; T58-N147 PolarHBondContact N-ND2 2.86Å; T58-N147 PolarHBondContact OG1-ND2 3.28Å; T58-A183 WeakPolarHBondContact CB-O 3.21Å; T58-A183 WeakPolarHBondContact CG2-O 3.41Å; T58-A183 PolarHBondContact OG1-O 3.15Å; T58-V185 HydrophobicContact CG2-CG2 3.73Å |
| 59 | E | 97.6 | Very high | 97 | Very high | 119 Ų | 119 | 53.5 Ų | 53.5 | 56% | 0.556 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 135.1 | 177.8 | -66.3 | 174.9 | 153.9 | 0 | 0 | 111.8 | R151 | E59-R151 IonicContact OE1-CZ 2.68Å; E59-R151 IonicContact OE1-NE 2.61Å; E59-R151 PolarHBondContact OE1-NE 3.49Å; E59-R151 IonicContact OE1-NH2 3.32Å; E59-R151 PolarHBondContact OE1-NH2 3.47Å |
| 60 | L | 97.8 | Very high | 96.5 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 7% | 0.073 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 135.7 | 175.8 | -60.2 | -172 | 0 | 0 | 0 | 110.7 | L46 L48 A53 I55 F66 V76 V185 | L46-L60 HydrophobicContact CD2-CD1 3.91Å; L48-L60 HydrophobicContact CB-CB 4.22Å; L48-L60 HydrophobicContact CD2-CB 3.96Å; A53-L60 HydrophobicContact CB-CD1 4.03Å; A53-L60 HydrophobicContact CB-CG 4.43Å; A53-L60 PolarHBondContact O-N 3.16Å; I55-L60 HydrophobicContact CD1-CD1 4.41Å; I55-L60 HydrophobicContact CD1-CD2 3.95Å; I55-L60 HydrophobicContact CG1-CD1 4.39Å; I55-L60 HydrophobicContact CG1-CD2 4.05Å; L60-F66 HydrophobicContact CB-CE2 4.38Å; L60-F66 HydrophobicContact CD2-CD2 4.34Å; L60-F66 HydrophobicContact CD2-CE2 3.95Å; L60-F66 HydrophobicContact CD2-CZ 4.21Å; L60-V76 HydrophobicContact CD1-CG1 3.77Å; L60-V185 HydrophobicContact CD2-CG1 4.25Å; L60-V185 HydrophobicContact CD2-CG2 3.64Å |
| 61 | T | 96.8 | Very high | 96 | Very high | 85 Ų | 85 | 52.3 Ų | 52.3 | 52% | 0.521 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 128.5 | 172.3 | -49.1 | 0 | 0 | 0 | 0 | 109.7 | K64 | T61-K64 HydrophobicContact CG2-CB 4.39Å; T61-K64 WeakPolarHBondContact O-CB 3.44Å; T61-K64 PolarHBondContact O-N 3.38Å |
| 62 | R | 96.9 | Very high | 95.6 | Very high | 153 Ų | 153 | 51.2 Ų | 51.2 | 58% | 0.577 | 27% | 0.266 | S | S | * | . | B | Isolated β-bridge | trans | -58.1 | 138.2 | 177.1 | -172.8 | -178.6 | 175.2 | -167.7 | -3.2 | 111.1 | L48 L49 K64 | L48-R62 WeakPolarHBondContact O-CA 3.34Å; L49-R62 PolarHBondContact O-NE 3.3Å; L49-R62 PolarHBondContact O-NH2 2.79Å; R62-K64 PolarHBondContact O-N 2.73Å; R62-K64 VanDerWaalsContact O-N 3.1Å |
| 63 | N | 94.2 | Very high | 95.4 | Very high | 97 Ų | 97 | 48.7 Ų | 48.7 | 52% | 0.519 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 10.9 | -178.8 | -48.9 | -27.9 | 0 | 0 | 0 | 115.1 | E47 L48 | E47-N63 WeakPolarHBondContact OE1-CA 3.38Å; L48-N63 PolarHBondContact O-N 2.77Å |
| 64 | K | 97.2 | Very high | 95.2 | Very high | 87 Ų | 87 | 49 Ų | 49 | 38% | 0.378 | 25% | 0.253 | S | S | . | . | trans | -88.2 | 131.3 | 168.1 | -175.8 | 175 | 171.7 | -173.1 | 0 | 108.3 | T61 R62 F66 | T61-K64 HydrophobicContact CG2-CB 4.39Å; T61-K64 WeakPolarHBondContact O-CB 3.44Å; T61-K64 PolarHBondContact O-N 3.38Å; R62-K64 PolarHBondContact O-N 2.73Å; R62-K64 VanDerWaalsContact O-N 3.1Å; K64-F66 HydrophobicContact CB-CE2 4.04Å; K64-F66 HydrophobicContact CB-CZ 4.12Å; K64-F66 HydrophobicContact CD-CE1 3.76Å; K64-F66 HydrophobicContact CD-CE2 4.35Å; K64-F66 HydrophobicContact CD-CZ 3.62Å; K64-F66 HydrophobicContact CG-CE1 4.2Å; K64-F66 HydrophobicContact CG-CE2 4.12Å; K64-F66 HydrophobicContact CG-CZ 3.89Å; K64-F66 WeakPolarHBondContact O-CD2 3.31Å | ||
| 65 | K | 96.9 | Very high | 95.2 | Very high | 114 Ų | 114 | 49.4 Ų | 49.4 | 50% | 0.496 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 130.4 | 173.7 | -63.4 | -176.8 | 177.5 | -175.2 | 0 | 109.7 | L46 E47 | L46-K65 WeakPolarHBondContact O-CA 3.47Å; E47-K65 HydrophobicContact CB-CG 4.41Å; E47-K65 HydrophobicContact CG-CG 4.4Å; E47-K65 WeakPolarHBondContact OE2-CE 3.43Å |
| 66 | F | 97.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 1% | 0.013 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 132.5 | 173.9 | -58.9 | -84.7 | 0 | 0 | 0 | 108.5 | Q45 L46 L60 K64 F68 V185 E186 | Q45-F66 CarbonylContact C-O 3.57Å; Q45-F66 VanDerWaalsContact CA-O 3.27Å; Q45-F66 WeakPolarHBondContact CA-O 3.42Å; L46-F66 PolarHBondContact N-O 2.85Å; L46-F66 PolarHBondContact O-N 2.93Å; L60-F66 HydrophobicContact CB-CE2 4.38Å; L60-F66 HydrophobicContact CD2-CD2 4.34Å; L60-F66 HydrophobicContact CD2-CE2 3.95Å; L60-F66 HydrophobicContact CD2-CZ 4.21Å; K64-F66 HydrophobicContact CB-CE2 4.04Å; K64-F66 HydrophobicContact CB-CZ 4.12Å; K64-F66 HydrophobicContact CD-CE1 3.76Å; K64-F66 HydrophobicContact CD-CE2 4.35Å; K64-F66 HydrophobicContact CD-CZ 3.62Å; K64-F66 HydrophobicContact CG-CE1 4.2Å; K64-F66 HydrophobicContact CG-CE2 4.12Å; K64-F66 HydrophobicContact CG-CZ 3.89Å; K64-F66 WeakPolarHBondContact O-CD2 3.31Å; F66-F68 HydrophobicContact CB-CE2 3.94Å; F66-F68 HydrophobicContact CB-CZ 4.27Å; F66-V185 HydrophobicContact CB-CG1 4.11Å; F66-V185 HydrophobicContact CD1-CB 3.56Å; F66-V185 HydrophobicContact CD1-CG1 3.68Å; F66-V185 HydrophobicContact CD1-CG2 4.01Å; F66-V185 HydrophobicContact CE1-CB 3.68Å; F66-V185 HydrophobicContact CE1-CG1 4.19Å; F66-V185 HydrophobicContact CE1-CG2 3.63Å; F66-V185 HydrophobicContact CG-CB 4.28Å; F66-V185 HydrophobicContact CG-CG1 3.9Å; F66-V185 HydrophobicContact CZ-CG2 4.07Å; F66-E186 HydrophobicContact CB-CG 4.31Å; F66-E186 HydrophobicContact CD1-CG 4.41Å |
| 67 | T | 96.4 | Very high | 95.3 | Very high | 26 Ų | 26 | 47.4 Ų | 47.4 | 16% | 0.16 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 126.9 | -175.9 | -56.9 | 0 | 0 | 0 | 0 | 110.3 | Q45 E186 R320 | Q45-T67 HydrophobicContact CG-CG2 4.44Å; T67-E186 WeakPolarHBondContact CA-OE1 3.24Å; T67-E186 WeakPolarHBondContact CB-OE1 3.05Å; T67-E186 PolarHBondContact N-OE1 2.79Å; T67-R320 VanDerWaalsContact CB-NH2 3.27Å; T67-R320 PolarHBondContact O-NH2 2.92Å |
| 68 | F | 95.6 | Very high | 95.3 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 129.6 | 178.5 | -61.6 | -84.4 | 0 | 0 | 0 | 109.7 | F36 V38 S43 V44 L46 I55 F66 A72 V74 V185 | F36-F68 HydrophobicContact CE2-CB 4.49Å; F36-F68 HydrophobicContact CE2-CD2 4.2Å; F36-F68 HydrophobicContact CE2-CG 4.42Å; F36-F68 AromaticContact CZ-CD2 3.8Å; F36-F68 HydrophobicContact CZ-CD2 3.8Å; F36-F68 HydrophobicContact CZ-CE2 4.02Å; F36-F68 HydrophobicContact CZ-CG 4.32Å; V38-F68 HydrophobicContact CG2-CB 3.86Å; S43-F68 CarbonylContact C-O 3.55Å; S43-F68 VanDerWaalsContact CA-O 3.27Å; S43-F68 WeakPolarHBondContact CA-O 3.39Å; V44-F68 PolarHBondContact N-O 2.97Å; V44-F68 PolarHBondContact O-N 3.21Å; L46-F68 HydrophobicContact CB-CD2 4.33Å; L46-F68 HydrophobicContact CB-CE2 3.81Å; L46-F68 HydrophobicContact CD2-CE2 4Å; L46-F68 HydrophobicContact CD2-CZ 4.48Å; I55-F68 HydrophobicContact CD1-CE2 4.41Å; I55-F68 HydrophobicContact CD1-CZ 3.68Å; F66-F68 HydrophobicContact CB-CE2 3.94Å; F66-F68 HydrophobicContact CB-CZ 4.27Å; F68-A72 HydrophobicContact CB-CB 3.93Å; F68-A72 HydrophobicContact CD1-CB 4.47Å; F68-V74 HydrophobicContact CD1-CG2 3.6Å; F68-V74 HydrophobicContact CE1-CG1 4.27Å; F68-V74 HydrophobicContact CE1-CG2 3.78Å; F68-V74 HydrophobicContact CG-CG2 4.02Å; F68-V74 HydrophobicContact CZ-CG1 4.17Å; F68-V74 HydrophobicContact CZ-CG2 4.34Å; F68-V185 HydrophobicContact CE1-CG1 4.14Å; F68-V185 HydrophobicContact CZ-CG1 3.57Å |
| 69 | D | 92.5 | Very high | 95.4 | Very high | 78 Ų | 78 | 49.1 Ų | 49.1 | 42% | 0.417 | 25% | 0.253 | S | S | . | . | trans | -88 | 171.8 | -177.5 | -60.1 | -49 | 0 | 0 | 0 | 111.9 | V38 G71 A72 R320 | V38-D69 WeakPolarHBondContact CB-O 3.37Å; D69-G71 PolarHBondContact O-N 3.13Å; D69-A72 WeakPolarHBondContact O-CB 3.33Å; D69-A72 PolarHBondContact O-N 3.17Å; D69-A72 VanDerWaalsContact O-N 3.11Å; D69-R320 IonicContact OD2-NH2 2.76Å | ||
| 70 | A | 88.3 | Confident | 95.3 | Very high | 52 Ų | 52 | 49.6 Ų | 49.6 | 43% | 0.43 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | 135.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | S41 Q42 A72 | S41-A70 VanDerWaalsContact N-CB 3.34Å; Q42-A70 PolarHBondContact O-N 2.86Å; A70-A72 PolarHBondContact O-N 3.04Å |
| 71 | G | 85.5 | Confident | 95.4 | Very high | 25 Ų | 25 | 49.9 Ų | 49.9 | 26% | 0.258 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | -3.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | V38 D69 K73 | V38-G71 PolarHBondContact O-N 3.3Å; V38-G71 VanDerWaalsContact O-N 3.09Å; D69-G71 PolarHBondContact O-N 3.13Å; G71-K73 PolarHBondContact O-N 2.79Å |
| 72 | A | 90.8 | Very high | 95.4 | Very high | 25 Ų | 25 | 46.1 Ų | 46.1 | 21% | 0.207 | 24% | 0.239 | C | C | . | . | trans | -62.4 | 133.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | E37 V38 F68 D69 A70 V74 | E37-A72 WeakPolarHBondContact CA-O 3.49Å; V38-A72 HydrophobicContact CB-CB 4.38Å; V38-A72 HydrophobicContact CG2-CB 3.89Å; V38-A72 PolarHBondContact N-O 3.45Å; F68-A72 HydrophobicContact CB-CB 3.93Å; F68-A72 HydrophobicContact CD1-CB 4.47Å; D69-A72 WeakPolarHBondContact O-CB 3.33Å; D69-A72 PolarHBondContact O-N 3.17Å; D69-A72 VanDerWaalsContact O-N 3.11Å; A70-A72 PolarHBondContact O-N 3.04Å; A72-V74 HydrophobicContact CB-CG2 4.29Å | ||
| 73 | K | 92.4 | Very high | 95.5 | Very high | 59 Ų | 59 | 38.9 Ų | 38.9 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 112.5 | 176.8 | -68.2 | 168.6 | 168.6 | 35.1 | 0 | 107.6 | E37 G71 V297 | E37-K73 HydrophobicContact CG-CG 3.98Å; E37-K73 WeakPolarHBondContact OE2-CE 3.41Å; E37-K73 IonicContact OE2-NZ 2.69Å; E37-K73 PolarHBondContact OE2-NZ 3.3Å; G71-K73 PolarHBondContact O-N 2.79Å; K73-V297 HydrophobicContact CD-CB 3.98Å; K73-V297 HydrophobicContact CD-CG2 4.03Å |
| 74 | V | 95.8 | Very high | 95.7 | Very high | 12 Ų | 12 | 34.2 Ų | 34.2 | 7% | 0.073 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 141.1 | -166.4 | -175.1 | 0 | 0 | 0 | 0 | 110.4 | R35 F36 I55 F68 A72 V76 | R35-V74 WeakPolarHBondContact CA-O 3.39Å; F36-V74 HydrophobicContact CD1-CB 4.06Å; F36-V74 HydrophobicContact CD1-CG1 4.42Å; F36-V74 HydrophobicContact CD2-CB 4.42Å; F36-V74 HydrophobicContact CE1-CB 3.54Å; F36-V74 HydrophobicContact CE1-CG1 3.57Å; F36-V74 HydrophobicContact CE1-CG2 4.34Å; F36-V74 HydrophobicContact CE2-CB 3.93Å; F36-V74 HydrophobicContact CE2-CG2 3.93Å; F36-V74 HydrophobicContact CG-CB 4.49Å; F36-V74 HydrophobicContact CZ-CB 3.47Å; F36-V74 VanDerWaalsContact CZ-CB 3.47Å; F36-V74 HydrophobicContact CZ-CG1 3.68Å; F36-V74 HydrophobicContact CZ-CG2 3.74Å; F36-V74 PolarHBondContact N-O 2.97Å; F36-V74 PolarHBondContact O-N 3.4Å; I55-V74 HydrophobicContact CD1-CG1 3.73Å; I55-V74 HydrophobicContact CG1-CG1 4.23Å; I55-V74 HydrophobicContact CG2-CG1 4.27Å; F68-V74 HydrophobicContact CD1-CG2 3.6Å; F68-V74 HydrophobicContact CE1-CG1 4.27Å; F68-V74 HydrophobicContact CE1-CG2 3.78Å; F68-V74 HydrophobicContact CG-CG2 4.02Å; F68-V74 HydrophobicContact CZ-CG1 4.17Å; F68-V74 HydrophobicContact CZ-CG2 4.34Å; A72-V74 HydrophobicContact CB-CG2 4.29Å; V74-V76 HydrophobicContact CG1-CG2 4.28Å |
| 75 | A | 97.3 | Very high | 95.7 | Very high | 14 Ų | 14 | 32.3 Ų | 32.3 | 12% | 0.116 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 120.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | L34 R35 F56 | L34-A75 CarbonylContact O-C 3.58Å; L34-A75 WeakPolarHBondContact O-CA 3.39Å; R35-A75 HydrophobicContact CG-CB 4.41Å; F56-A75 HydrophobicContact CE1-CB 4.01Å; F56-A75 HydrophobicContact CZ-CB 4.49Å |
| 76 | V | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 108.3 | 176.3 | -172.8 | 0 | 0 | 0 | 0 | 107.9 | L28 E33 L34 F36 L46 A53 I55 L60 V74 V84 | L28-V76 WeakPolarHBondContact CD2-O 3.44Å; E33-V76 CarbonylContact C-O 3.56Å; E33-V76 WeakPolarHBondContact CA-O 3.27Å; E33-V76 WeakPolarHBondContact CB-O 3.2Å; L34-V76 HydrophobicContact CB-CB 4.32Å; L34-V76 PolarHBondContact N-O 2.84Å; L34-V76 PolarHBondContact O-N 2.82Å; F36-V76 HydrophobicContact CE1-CG2 3.98Å; L46-V76 HydrophobicContact CD1-CG2 4.08Å; L46-V76 HydrophobicContact CD2-CG2 3.59Å; A53-V76 HydrophobicContact CB-CG1 3.87Å; I55-V76 HydrophobicContact CD1-CG2 4.04Å; I55-V76 HydrophobicContact CG1-CB 4.46Å; I55-V76 HydrophobicContact CG1-CG2 4Å; L60-V76 HydrophobicContact CD1-CG1 3.77Å; V74-V76 HydrophobicContact CG1-CG2 4.28Å; V76-V84 HydrophobicContact CG1-CG1 4.3Å |
| 77 | F | 98.5 | Very high | 95.7 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 151.5 | -175.8 | -179 | -91.5 | 0 | 0 | 0 | 111.6 | E31 T32 E33 A53 E54 W79 T99 M101 | E31-F77 HydrophobicContact CB-CZ 4.39Å; E31-F77 HydrophobicContact CG-CZ 4.5Å; T32-F77 WeakPolarHBondContact O-CD2 3.38Å; E33-F77 HydrophobicContact CB-CB 4.07Å; E33-F77 HydrophobicContact CB-CD2 3.99Å; A53-F77 CarbonylContact C-O 3.58Å; A53-F77 VanDerWaalsContact CA-O 3.26Å; A53-F77 WeakPolarHBondContact CA-O 3.38Å; E54-F77 HydrophobicContact CG-CB 4.47Å; E54-F77 HydrophobicContact CG-CD1 4.42Å; E54-F77 PolarHBondContact N-O 3.29Å; E54-F77 PolarHBondContact O-N 3.04Å; F77-W79 HydrophobicContact CD1-CD2 4.44Å; F77-W79 AromaticContact CE1-CD1 3.98Å; F77-W79 AromaticContact CE1-CD2 3.48Å; F77-W79 HydrophobicContact CE1-CD2 3.48Å; F77-W79 VanDerWaalsContact CE1-CD2 3.48Å; F77-W79 AromaticContact CE1-CE2 3.44Å; F77-W79 VanDerWaalsContact CE1-CE2 3.44Å; F77-W79 AromaticContact CE1-CE3 3.8Å; F77-W79 HydrophobicContact CE1-CE3 3.8Å; F77-W79 AromaticContact CE1-CG 3.84Å; F77-W79 HydrophobicContact CE1-CG 3.84Å; F77-W79 HydrophobicContact CE1-CH2 4.08Å; F77-W79 AromaticContact CE1-CZ2 3.77Å; F77-W79 HydrophobicContact CE1-CZ2 3.77Å; F77-W79 HydrophobicContact CE1-CZ3 4.08Å; F77-W79 AromaticContact CE1-NE1 3.74Å; F77-W79 HydrophobicContact CZ-CD2 4.21Å; F77-W79 HydrophobicContact CZ-CE3 4.06Å; F77-W79 HydrophobicContact CZ-CH2 4.2Å; F77-W79 HydrophobicContact CZ-CZ2 4.33Å; F77-W79 HydrophobicContact CZ-CZ3 4.05Å; F77-T99 HydrophobicContact CD2-CG2 4.45Å; F77-T99 HydrophobicContact CE2-CG2 4.39Å; F77-M101 HydrophobicContact CB-CE 4.22Å; F77-M101 HydrophobicContact CD1-CE 3.56Å; F77-M101 HydrophobicContact CD1-CG 4.31Å; F77-M101 HydrophobicContact CD2-CB 4.17Å; F77-M101 HydrophobicContact CD2-CE 4.4Å; F77-M101 HydrophobicContact CD2-CG 3.56Å; F77-M101 HydrophobicContact CE1-CB 4.2Å; F77-M101 HydrophobicContact CE1-CE 4Å; F77-M101 HydrophobicContact CE1-CG 4.34Å; F77-M101 HydrophobicContact CE2-CB 3.66Å; F77-M101 HydrophobicContact CE2-CG 3.59Å; F77-M101 HydrophobicContact CG-CE 3.79Å; F77-M101 HydrophobicContact CG-CG 3.93Å; F77-M101 HydrophobicContact CZ-CB 3.68Å; F77-M101 HydrophobicContact CZ-CG 3.99Å |
| 78 | T | 98.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 132.1 | 172 | -178.1 | 0 | 0 | 0 | 0 | 113.6 | L28 E29 E31 T32 M52 H80 G81 | L28-T78 HydrophobicContact CB-CG2 3.68Å; L28-T78 HydrophobicContact CD2-CG2 4.22Å; E29-T78 VanDerWaalsContact O-CG2 3.28Å; E29-T78 WeakPolarHBondContact O-CG2 3.3Å; E31-T78 WeakPolarHBondContact CA-O 3.34Å; E31-T78 PolarHBondContact N-O 3.34Å; T32-T78 PolarHBondContact O-N 3.29Å; M52-T78 VanDerWaalsContact O-CB 3.25Å; M52-T78 WeakPolarHBondContact O-CB 3.39Å; M52-T78 PolarHBondContact O-OG1 2.91Å; T78-H80 PolarHBondContact OG1-N 2.9Å; T78-G81 WeakPolarHBondContact OG1-CA 3.49Å; T78-G81 PolarHBondContact OG1-N 3.24Å; T78-G81 PolarHBondContact OG1-O 3.48Å |
| 79 | W | 97.9 | Very high | 95.4 | Very high | 46 Ų | 46 | 33.2 Ų | 33.2 | 17% | 0.174 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -81.2 | -14 | 172.7 | -69.4 | 105.2 | 0 | 0 | 0 | 114 | R30 E31 E54 F77 M101 L102 L105 | R30-W79 WeakPolarHBondContact CD-O 3.39Å; R30-W79 VanDerWaalsContact CG-O 3.26Å; R30-W79 WeakPolarHBondContact CG-O 3.42Å; E31-W79 HydrophobicContact CG-CE3 4.27Å; E31-W79 HydrophobicContact CG-CZ3 4.42Å; E54-W79 PolarHBondContact OE1-NE1 3.03Å; F77-W79 HydrophobicContact CD1-CD2 4.44Å; F77-W79 AromaticContact CE1-CD1 3.98Å; F77-W79 AromaticContact CE1-CD2 3.48Å; F77-W79 HydrophobicContact CE1-CD2 3.48Å; F77-W79 VanDerWaalsContact CE1-CD2 3.48Å; F77-W79 AromaticContact CE1-CE2 3.44Å; F77-W79 VanDerWaalsContact CE1-CE2 3.44Å; F77-W79 AromaticContact CE1-CE3 3.8Å; F77-W79 HydrophobicContact CE1-CE3 3.8Å; F77-W79 AromaticContact CE1-CG 3.84Å; F77-W79 HydrophobicContact CE1-CG 3.84Å; F77-W79 HydrophobicContact CE1-CH2 4.08Å; F77-W79 AromaticContact CE1-CZ2 3.77Å; F77-W79 HydrophobicContact CE1-CZ2 3.77Å; F77-W79 HydrophobicContact CE1-CZ3 4.08Å; F77-W79 AromaticContact CE1-NE1 3.74Å; F77-W79 HydrophobicContact CZ-CD2 4.21Å; F77-W79 HydrophobicContact CZ-CE3 4.06Å; F77-W79 HydrophobicContact CZ-CH2 4.2Å; F77-W79 HydrophobicContact CZ-CZ2 4.33Å; F77-W79 HydrophobicContact CZ-CZ3 4.05Å; W79-M101 HydrophobicContact CH2-CB 4.07Å; W79-M101 HydrophobicContact CZ2-CB 4.34Å; W79-M101 HydrophobicContact CZ2-CE 4.07Å; W79-L102 HydrophobicContact CH2-CD2 4.24Å; W79-L102 HydrophobicContact CZ3-CD2 3.73Å; W79-L102 HydrophobicContact CZ3-CG 4.29Å; W79-L105 HydrophobicContact CH2-CB 3.87Å; W79-L105 HydrophobicContact CH2-CD2 3.58Å; W79-L105 HydrophobicContact CH2-CG 4.32Å; W79-L105 HydrophobicContact CZ2-CB 4.06Å; W79-L105 HydrophobicContact CZ2-CD2 3.85Å; W79-L105 HydrophobicContact CZ2-CG 4.4Å; W79-L105 HydrophobicContact CZ3-CD2 3.97Å |
| 80 | H | 97.5 | Very high | 95.4 | Very high | 130 Ų | 130 | 31.6 Ų | 31.6 | 60% | 0.602 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -135.1 | -10.5 | -168.6 | -60.7 | -65.8 | 0 | 0 | 0 | 114.1 | M52 T78 | M52-H80 HydrophobicContact CE-CB 4.09Å; M52-H80 WeakPolarHBondContact CE-CD2 3.47Å; T78-H80 PolarHBondContact OG1-N 2.9Å |
| 81 | G | 97.9 | Very high | 95.5 | Very high | 19 Ų | 19 | 35.4 Ų | 35.4 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | trans | 99.1 | 142.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L28 T78 | L28-G81 WeakPolarHBondContact O-CA 3.35Å; T78-G81 WeakPolarHBondContact OG1-CA 3.49Å; T78-G81 PolarHBondContact OG1-N 3.24Å; T78-G81 PolarHBondContact OG1-O 3.48Å | ||
| 82 | C | 98.5 | Very high | 95.8 | Very high | 7 Ų | 7 | 37 Ų | 37 | 5% | 0.047 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 168.9 | 179.1 | 69.5 | 0 | 0 | 0 | 0 | 112.1 | L28 L48 T50 A53 | L28-C82 PolarHBondContact N-O 2.77Å; L28-C82 PolarHBondContact O-N 2.95Å; L48-C82 HydrophobicContact CD1-CB 3.83Å; T50-C82 WeakPolarHBondContact O-CA 3.36Å; T50-C82 VanDerWaalsContact O-CB 3.26Å; T50-C82 WeakPolarHBondContact O-CB 3.39Å; A53-C82 HydrophobicContact CB-CB 4.29Å |
| 83 | S | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 125.3 | 171.2 | -161.2 | 0 | 0 | 0 | 0 | 109.2 | K25 F26 E27 L49 T50 | K25-S83 WeakPolarHBondContact CE-OG 3.47Å; F26-S83 WeakPolarHBondContact O-CA 3.48Å; E27-S83 PolarHBondContact OE1-OG 3.48Å; E27-S83 WeakPolarHBondContact OE2-CB 3.46Å; E27-S83 PolarHBondContact OE2-OG 2.9Å; L49-S83 WeakPolarHBondContact CB-O 3.24Å; L49-S83 PolarHBondContact N-O 3.37Å; T50-S83 PolarHBondContact N-O 3.32Å; T50-S83 PolarHBondContact O-N 2.94Å; T50-S83 WeakPolarHBondContact OG1-CB 3.28Å |
| 84 | V | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 150.7 | -179.3 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | K25 F26 L28 L34 L46 E47 L48 V76 | K25-V84 WeakPolarHBondContact CA-O 3.21Å; F26-V84 HydrophobicContact CB-CG2 3.94Å; F26-V84 PolarHBondContact N-O 2.79Å; F26-V84 PolarHBondContact O-N 3.41Å; L28-V84 HydrophobicContact CD1-CG2 3.83Å; L34-V84 HydrophobicContact CD2-CG2 3.52Å; L46-V84 HydrophobicContact CD1-CB 4.01Å; L46-V84 HydrophobicContact CD1-CG2 4.36Å; E47-V84 CarbonylContact O-C 3.52Å; E47-V84 VanDerWaalsContact O-CA 3.3Å; E47-V84 WeakPolarHBondContact O-CA 3.4Å; L48-V84 HydrophobicContact CD1-CG1 3.87Å; V76-V84 HydrophobicContact CG1-CG1 4.3Å |
| 85 | Q | 98.1 | Very high | 96.3 | Very high | 47 Ų | 47 | 41.5 Ų | 41.5 | 22% | 0.22 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 132 | 176.4 | -174.1 | 174.5 | 14.4 | 0 | 0 | 109.8 | T24 L46 E47 L49 | T24-Q85 WeakPolarHBondContact O-CA 3.49Å; L46-Q85 CarbonylContact C-O 3.59Å; L46-Q85 WeakPolarHBondContact CA-O 3.46Å; E47-Q85 PolarHBondContact N-O 2.92Å; E47-Q85 PolarHBondContact O-N 3.34Å; L49-Q85 HydrophobicContact CD1-CB 4.07Å; L49-Q85 HydrophobicContact CD2-CB 4.31Å; L49-Q85 HydrophobicContact CG-CB 4.22Å |
| 86 | L | 97.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 134.9 | 166.2 | -63.6 | -175 | 0 | 0 | 0 | 109.1 | T23 T24 F26 L34 F36 V44 Q45 L46 T90 A93 | T23-L86 CarbonylContact C-O 3.44Å; T23-L86 VanDerWaalsContact CA-O 3.23Å; T23-L86 WeakPolarHBondContact CA-O 3.48Å; T24-L86 PolarHBondContact N-O 2.88Å; T24-L86 PolarHBondContact O-N 2.83Å; F26-L86 HydrophobicContact CD2-CD1 4.44Å; F26-L86 HydrophobicContact CD2-CG 4.33Å; F26-L86 HydrophobicContact CE2-CB 4.31Å; F26-L86 HydrophobicContact CE2-CD1 3.79Å; F26-L86 HydrophobicContact CE2-CG 4Å; F26-L86 HydrophobicContact CZ-CD1 4.47Å; L34-L86 HydrophobicContact CD2-CD1 4.08Å; L34-L86 HydrophobicContact CD2-CG 4.22Å; F36-L86 HydrophobicContact CB-CD1 4Å; F36-L86 HydrophobicContact CD1-CD1 4.03Å; F36-L86 HydrophobicContact CD1-CD2 4.18Å; F36-L86 HydrophobicContact CD2-CD1 4.39Å; F36-L86 HydrophobicContact CE1-CD2 3.95Å; F36-L86 HydrophobicContact CE2-CD2 4.49Å; F36-L86 HydrophobicContact CG-CD1 3.89Å; F36-L86 HydrophobicContact CZ-CD2 4.11Å; V44-L86 HydrophobicContact CG1-CB 4.19Å; V44-L86 HydrophobicContact CG1-CD2 3.93Å; V44-L86 HydrophobicContact CG1-CG 4.47Å; Q45-L86 CarbonylContact O-C 3.54Å; Q45-L86 VanDerWaalsContact O-CA 3.29Å; Q45-L86 WeakPolarHBondContact O-CA 3.45Å; L46-L86 HydrophobicContact CB-CD2 3.99Å; L46-L86 HydrophobicContact CD1-CD2 3.47Å; L46-L86 VanDerWaalsContact CD1-CD2 3.47Å; L46-L86 HydrophobicContact CG-CD2 4.33Å; L86-T90 HydrophobicContact CD1-CG2 4Å; L86-A93 HydrophobicContact CD1-CB 4.28Å |
| 87 | S | 96.7 | Very high | 96.2 | Very high | 16 Ų | 16 | 48.5 Ų | 48.5 | 11% | 0.112 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 116.4 | 174.4 | -49.4 | 0 | 0 | 0 | 0 | 109.7 | P22 T23 V44 Q45 | P22-S87 WeakPolarHBondContact O-CA 3.33Å; T23-S87 WeakPolarHBondContact CG2-OG 3.36Å; V44-S87 WeakPolarHBondContact CA-O 3.47Å; Q45-S87 PolarHBondContact N-O 2.92Å; Q45-S87 PolarHBondContact O-N 2.99Å |
| 88 | G | 93.3 | Very high | 95.9 | Very high | 11 Ų | 11 | 54.4 Ų | 54.4 | 11% | 0.113 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 126.1 | 178.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P22 | P22-G88 PolarHBondContact O-N 2.86Š|
| 89 | R | 90.7 | Very high | 95.8 | Very high | 147 Ų | 147 | 55.6 Ų | 55.6 | 56% | 0.555 | 28% | 0.281 | S | S | * | . | trans | -92.6 | 123.1 | -178.5 | -65.3 | -176.6 | -178.8 | -178.3 | 2.6 | 110.8 | P22 E39 Q42 V44 | P22-R89 HydrophobicContact CG-CG 4.18Å; E39-R89 WeakPolarHBondContact OE2-CB 3.49Å; Q42-R89 HydrophobicContact CG-CB 4.23Å; V44-R89 WeakPolarHBondContact CG2-O 3.41Å | ||
| 90 | T | 92.4 | Very high | 95.7 | Very high | 45 Ų | 45 | 54 Ų | 54 | 28% | 0.276 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 139.8 | 172.7 | 54.8 | 0 | 0 | 0 | 0 | 109.3 | F36 E37 V44 L86 V92 A93 | F36-T90 HydrophobicContact CB-CG2 4.28Å; F36-T90 HydrophobicContact CD2-CG2 4.29Å; E37-T90 CarbonylContact O-C 3.37Å; E37-T90 VanDerWaalsContact O-CA 3.31Å; E37-T90 WeakPolarHBondContact O-CA 3.43Å; E37-T90 WeakPolarHBondContact O-CB 3.19Å; V44-T90 HydrophobicContact CG1-CG2 4.18Å; V44-T90 HydrophobicContact CG2-CG2 3.79Å; L86-T90 HydrophobicContact CD1-CG2 4Å; T90-V92 VanDerWaalsContact C-N 3.35Å; T90-A93 HydrophobicContact CG2-CB 4.36Å |
| 91 | E | 90.5 | Very high | 95.7 | Very high | 131 Ų | 131 | 48.3 Ų | 48.3 | 61% | 0.612 | 25% | 0.25 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | -43.6 | 170.6 | -174.3 | 177.8 | 171.7 | 0 | 0 | 110.2 | E37 E39 | E37-E91 HydrophobicContact CB-CB 4.42Å; E37-E91 PolarHBondContact O-N 3.14Å; E39-E91 HydrophobicContact CB-CB 4.38Å |
| 92 | V | 92.6 | Very high | 95.6 | Very high | 59 Ų | 59 | 51.5 Ų | 51.5 | 36% | 0.358 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 139.3 | 177.5 | 171.9 | 0 | 0 | 0 | 0 | 108.8 | F36 E37 T90 Y94 | F36-V92 CarbonylContact C-O 3.56Å; F36-V92 WeakPolarHBondContact CA-O 3.38Å; F36-V92 WeakPolarHBondContact CB-O 3.5Å; E37-V92 PolarHBondContact N-O 3Å; T90-V92 VanDerWaalsContact C-N 3.35Å; V92-Y94 HydrophobicContact CG1-CD1 3.44Å; V92-Y94 VanDerWaalsContact CG1-CD1 3.44Å; V92-Y94 HydrophobicContact CG1-CE1 3.62Å |
| 93 | A | 96.1 | Very high | 95.6 | Very high | 34 Ų | 34 | 54.8 Ų | 54.8 | 28% | 0.281 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 120.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | F26 R35 F36 L86 T90 | F26-A93 HydrophobicContact CZ-CB 3.88Å; R35-A93 CarbonylContact O-C 3.52Å; R35-A93 VanDerWaalsContact O-CA 3.31Å; R35-A93 WeakPolarHBondContact O-CA 3.11Å; F36-A93 HydrophobicContact CB-CB 3.96Å; L86-A93 HydrophobicContact CD1-CB 4.28Å; T90-A93 HydrophobicContact CG2-CB 4.36Å |
| 94 | Y | 96.4 | Very high | 95.6 | Very high | 96 Ų | 96 | 55.4 Ų | 55.4 | 38% | 0.376 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 153.7 | -179.9 | 65.3 | -84.4 | 0 | 0 | 0 | 112.5 | R35 V92 | R35-Y94 HydrophobicContact CB-CE1 4.05Å; R35-Y94 HydrophobicContact CB-CE2 4.28Å; R35-Y94 VanDerWaalsContact CD-OH 3.26Å; R35-Y94 WeakPolarHBondContact CD-OH 3.26Å; R35-Y94 HydrophobicContact CG-CE2 4.48Å; R35-Y94 PolarHBondContact N-O 3.46Å; R35-Y94 PolarHBondContact O-N 3.29Å; V92-Y94 HydrophobicContact CG1-CD1 3.44Å; V92-Y94 VanDerWaalsContact CG1-CD1 3.44Å; V92-Y94 HydrophobicContact CG1-CE1 3.62Å |
| 95 | V | 97.7 | Very high | 95.5 | Very high | 60 Ų | 60 | 58 Ų | 58 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 133.3 | 174.7 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | F26 L28 E33 L34 | F26-V95 HydrophobicContact CD1-CG2 4.19Å; L28-V95 HydrophobicContact CD1-CG2 4.41Å; L28-V95 HydrophobicContact CG-CG2 4.5Å; E33-V95 CarbonylContact O-C 3.55Å; E33-V95 WeakPolarHBondContact O-CA 2.87Å; L34-V95 HydrophobicContact CD1-CG2 4.3Å |
| 96 | S | 96.5 | Very high | 95.5 | Very high | 16 Ų | 16 | 60.4 Ų | 60.4 | 11% | 0.112 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 135.6 | 176.6 | -167.4 | 0 | 0 | 0 | 0 | 111.1 | T32 E33 R35 D98 | T32-S96 WeakPolarHBondContact CA-O 3.11Å; T32-S96 WeakPolarHBondContact CB-O 3.36Å; E33-S96 PolarHBondContact N-O 2.9Å; E33-S96 PolarHBondContact O-N 3.48Å; R35-S96 PolarHBondContact NH1-OG 3.47Å; R35-S96 PolarHBondContact NH2-OG 2.9Å; S96-D98 PolarHBondContact OG-N 2.97Å |
| 97 | K | 95.3 | Very high | 95.6 | Very high | 145 Ų | 145 | 61.1 Ų | 61.1 | 63% | 0.63 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -93 | -20.9 | 171 | -55 | -166 | 169.6 | -168.6 | 0 | 112.3 | E29 T32 T99 | E29-K97 WeakPolarHBondContact OE2-CE 3.36Å; E29-K97 IonicContact OE2-NZ 2.85Å; E29-K97 PolarHBondContact OE2-NZ 3.39Å; T32-K97 HydrophobicContact CG2-CB 4.37Å; T32-K97 HydrophobicContact CG2-CD 4.47Å; T32-K97 HydrophobicContact CG2-CG 3.79Å; K97-T99 PolarHBondContact O-N 2.87Å |
| 98 | D | 93.6 | Very high | 95.7 | Very high | 128 Ų | 128 | 60.8 Ų | 60.8 | 68% | 0.684 | 31% | 0.31 | S | S | * | . | trans | -87.8 | 95.6 | -177.7 | -175.1 | 24.6 | 0 | 0 | 0 | 109.7 | R35 S96 | R35-D98 PolarHBondContact NH2-O 3.5Å; S96-D98 PolarHBondContact OG-N 2.97Å | ||
| 99 | T | 94.9 | Very high | 95.9 | Very high | 27 Ų | 27 | 63.2 Ų | 63.2 | 17% | 0.166 | 32% | 0.323 | C | S | . | . | trans | -135.2 | 141.6 | -178 | 82.4 | 0 | 0 | 0 | 0 | 110.9 | E33 F77 K97 M101 | E33-T99 HydrophobicContact CB-CG2 4.43Å; E33-T99 VanDerWaalsContact CD-CG2 3.47Å; E33-T99 HydrophobicContact CG-CG2 3.57Å; F77-T99 HydrophobicContact CD2-CG2 4.45Å; F77-T99 HydrophobicContact CE2-CG2 4.39Å; K97-T99 PolarHBondContact O-N 2.87Å; T99-M101 PolarHBondContact O-N 3.32Å | ||
| 100 | P | 96.4 | Very high | 96.3 | Very high | 12 Ų | 12 | 58.3 Ų | 58.3 | 8% | 0.078 | 31% | 0.314 | C | S | . | . | trans | -80.9 | 15.2 | 173.2 | 32.1 | -35.5 | 0 | 0 | 0 | 113.7 | L102 L103 Y104 P291 | P100-L102 VanDerWaalsContact C-N 3.32Å; P100-L102 PolarHBondContact O-N 3.1Å; P100-L103 WeakPolarHBondContact O-CB 3.26Å; P100-L103 PolarHBondContact O-N 3.23Å; P100-Y104 HydrophobicContact CB-CE1 4.07Å; P100-Y104 HydrophobicContact CB-CE2 4.1Å; P100-Y104 HydrophobicContact CG-CD2 4.4Å; P100-Y104 HydrophobicContact CG-CE1 4.19Å; P100-Y104 HydrophobicContact CG-CE2 3.52Å; P100-Y104 VanDerWaalsContact CG-OH 3.23Å; P100-Y104 WeakPolarHBondContact CG-OH 3.3Å; P100-Y104 PolarHBondContact O-N 3.04Å; P100-Y104 VanDerWaalsContact O-N 3.08Å; P100-P291 HydrophobicContact CB-CG 4.02Å | ||
| 101 | M | 97.2 | Very high | 96.6 | Very high | 11 Ų | 11 | 56.3 Ų | 56.3 | 5% | 0.054 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.4 | -36.5 | -171.7 | -77.3 | -66.3 | -73.4 | 0 | 0 | 113.6 | E54 F77 W79 T99 L103 Y104 L105 L144 Y148 | E54-M101 WeakPolarHBondContact OE1-CE 3.4Å; F77-M101 HydrophobicContact CB-CE 4.22Å; F77-M101 HydrophobicContact CD1-CE 3.56Å; F77-M101 HydrophobicContact CD1-CG 4.31Å; F77-M101 HydrophobicContact CD2-CB 4.17Å; F77-M101 HydrophobicContact CD2-CE 4.4Å; F77-M101 HydrophobicContact CD2-CG 3.56Å; F77-M101 HydrophobicContact CE1-CB 4.2Å; F77-M101 HydrophobicContact CE1-CE 4Å; F77-M101 HydrophobicContact CE1-CG 4.34Å; F77-M101 HydrophobicContact CE2-CB 3.66Å; F77-M101 HydrophobicContact CE2-CG 3.59Å; F77-M101 HydrophobicContact CG-CE 3.79Å; F77-M101 HydrophobicContact CG-CG 3.93Å; F77-M101 HydrophobicContact CZ-CB 3.68Å; F77-M101 HydrophobicContact CZ-CG 3.99Å; W79-M101 HydrophobicContact CH2-CB 4.07Å; W79-M101 HydrophobicContact CZ2-CB 4.34Å; W79-M101 HydrophobicContact CZ2-CE 4.07Å; T99-M101 PolarHBondContact O-N 3.32Å; M101-L103 VanDerWaalsContact C-N 3.33Å; M101-L103 PolarHBondContact O-N 3.5Å; M101-Y104 PolarHBondContact O-N 3.37Å; M101-Y104 HydrophobicContact SD-CD2 3.95Å; M101-L105 WeakPolarHBondContact O-CB 3.49Å; M101-L105 PolarHBondContact O-N 2.98Å; M101-L144 HydrophobicContact CE-CD1 3.82Å; M101-L144 HydrophobicContact SD-CD1 3.53Å; M101-L144 VanDerWaalsContact SD-CD1 3.53Å; M101-Y148 VanDerWaalsContact CE-OH 3.3Å; M101-Y148 WeakPolarHBondContact CE-OH 3.37Å |
| 102 | L | 96.9 | Very high | 97 | Very high | 85 Ų | 85 | 50.6 Ų | 50.6 | 45% | 0.445 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 173.8 | -76 | 170.1 | 0 | 0 | 0 | 112.2 | W79 P100 L105 N106 | W79-L102 HydrophobicContact CH2-CD2 4.24Å; W79-L102 HydrophobicContact CZ3-CD2 3.73Å; W79-L102 HydrophobicContact CZ3-CG 4.29Å; P100-L102 VanDerWaalsContact C-N 3.32Å; P100-L102 PolarHBondContact O-N 3.1Å; L102-L105 PolarHBondContact O-N 2.95Å; L102-N106 WeakPolarHBondContact O-CB 3.46Å; L102-N106 PolarHBondContact O-N 3.47Å; L102-N106 PolarHBondContact O-ND2 3.18Å |
| 103 | L | 97.8 | Very high | 97.3 | Very high | 76 Ų | 76 | 53.9 Ų | 53.9 | 40% | 0.398 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.1 | -38.6 | 177.1 | -61.2 | 175.3 | 0 | 0 | 0 | 111.2 | P100 M101 N106 T107 L290 P291 | P100-L103 WeakPolarHBondContact O-CB 3.26Å; P100-L103 PolarHBondContact O-N 3.23Å; M101-L103 VanDerWaalsContact C-N 3.33Å; M101-L103 PolarHBondContact O-N 3.5Å; L103-N106 PolarHBondContact O-N 3.45Å; L103-T107 WeakPolarHBondContact O-CB 3.49Å; L103-T107 PolarHBondContact O-N 3.23Å; L103-T107 PolarHBondContact O-OG1 3.29Å; L103-L290 HydrophobicContact CB-CD2 4.15Å; L103-P291 HydrophobicContact CD1-CG 3.69Å |
| 104 | Y | 97.8 | Very high | 97.4 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 6% | 0.055 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 174.9 | -58.1 | -24.1 | 0 | 0 | 0 | 112 | P100 M101 T107 H108 V141 L144 L290 P291 | P100-Y104 HydrophobicContact CB-CE1 4.07Å; P100-Y104 HydrophobicContact CB-CE2 4.1Å; P100-Y104 HydrophobicContact CG-CD2 4.4Å; P100-Y104 HydrophobicContact CG-CE1 4.19Å; P100-Y104 HydrophobicContact CG-CE2 3.52Å; P100-Y104 VanDerWaalsContact CG-OH 3.23Å; P100-Y104 WeakPolarHBondContact CG-OH 3.3Å; P100-Y104 PolarHBondContact O-N 3.04Å; P100-Y104 VanDerWaalsContact O-N 3.08Å; M101-Y104 PolarHBondContact O-N 3.37Å; M101-Y104 HydrophobicContact SD-CD2 3.95Å; Y104-T107 WeakPolarHBondContact O-CB 3.31Å; Y104-T107 PolarHBondContact O-N 3.01Å; Y104-H108 PolarHBondContact O-N 2.92Å; Y104-V141 HydrophobicContact CD1-CG2 4.45Å; Y104-V141 HydrophobicContact CE1-CG2 3.86Å; Y104-V141 HydrophobicContact CE2-CG2 4.17Å; Y104-L144 HydrophobicContact CD2-CD1 4.04Å; Y104-L290 HydrophobicContact CD1-CD1 3.93Å; Y104-L290 HydrophobicContact CE1-CB 4.44Å; Y104-L290 HydrophobicContact CE1-CD1 4.04Å; Y104-P291 PolarHBondContact OH-O 3.44Å |
| 105 | L | 97.9 | Very high | 97.5 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 28% | 0.277 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 175.2 | -179.2 | 62.6 | 0 | 0 | 0 | 111.9 | W79 M101 L102 T107 H108 T109 Y148 | W79-L105 HydrophobicContact CH2-CB 3.87Å; W79-L105 HydrophobicContact CH2-CD2 3.58Å; W79-L105 HydrophobicContact CH2-CG 4.32Å; W79-L105 HydrophobicContact CZ2-CB 4.06Å; W79-L105 HydrophobicContact CZ2-CD2 3.85Å; W79-L105 HydrophobicContact CZ2-CG 4.4Å; W79-L105 HydrophobicContact CZ3-CD2 3.97Å; M101-L105 WeakPolarHBondContact O-CB 3.49Å; M101-L105 PolarHBondContact O-N 2.98Å; L102-L105 PolarHBondContact O-N 2.95Å; L105-T107 VanDerWaalsContact C-N 3.33Å; L105-T107 PolarHBondContact O-N 3.43Å; L105-H108 PolarHBondContact O-N 3.26Å; L105-T109 WeakPolarHBondContact O-CB 3.48Å; L105-T109 PolarHBondContact O-N 3.1Å; L105-T109 PolarHBondContact O-OG1 3.5Å; L105-Y148 HydrophobicContact CD1-CD2 4.46Å; L105-Y148 HydrophobicContact CD1-CE2 4.07Å |
| 106 | N | 98.2 | Very high | 97.5 | Very high | 98 Ų | 98 | 54.1 Ų | 54.1 | 52% | 0.524 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 175.7 | -72.6 | -17 | 0 | 0 | 0 | 111.4 | L102 L103 T109 A110 | L102-N106 WeakPolarHBondContact O-CB 3.46Å; L102-N106 PolarHBondContact O-N 3.47Å; L102-N106 PolarHBondContact O-ND2 3.18Å; L103-N106 PolarHBondContact O-N 3.45Å; N106-T109 PolarHBondContact O-N 3.22Å; N106-A110 PolarHBondContact O-N 3.13Å |
| 107 | T | 98.4 | Very high | 97.6 | Very high | 19 Ų | 19 | 57.4 Ų | 57.4 | 12% | 0.117 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.4 | -50 | 174.6 | -57.8 | 0 | 0 | 0 | 0 | 110.5 | L103 Y104 L105 T109 A110 L111 L145 V266 | L103-T107 WeakPolarHBondContact O-CB 3.49Å; L103-T107 PolarHBondContact O-N 3.23Å; L103-T107 PolarHBondContact O-OG1 3.29Å; Y104-T107 WeakPolarHBondContact O-CB 3.31Å; Y104-T107 PolarHBondContact O-N 3.01Å; L105-T107 VanDerWaalsContact C-N 3.33Å; L105-T107 PolarHBondContact O-N 3.43Å; T107-T109 VanDerWaalsContact C-N 3.33Å; T107-T109 PolarHBondContact O-N 3.38Å; T107-A110 PolarHBondContact O-N 3Å; T107-L111 HydrophobicContact CG2-CD1 4.33Å; T107-L111 VanDerWaalsContact O-CG 3.31Å; T107-L111 WeakPolarHBondContact O-CG 3.23Å; T107-L111 PolarHBondContact O-N 2.64Å; T107-L145 HydrophobicContact CG2-CD2 4.36Å; T107-V266 HydrophobicContact CG2-CG2 4.39Å |
| 108 | H | 98.5 | Very high | 97.6 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 176.2 | 171.9 | 72.1 | 0 | 0 | 0 | 112.6 | Y104 L105 A110 L111 E112 L145 Y148 A149 L152 | Y104-H108 PolarHBondContact O-N 2.92Å; L105-H108 PolarHBondContact O-N 3.26Å; H108-A110 VanDerWaalsContact C-N 3.34Å; H108-A110 PolarHBondContact O-N 2.9Å; H108-L111 WeakPolarHBondContact O-CB 3.41Å; H108-L111 PolarHBondContact O-N 2.85Å; H108-E112 PolarHBondContact O-N 3.2Å; H108-L145 HydrophobicContact CB-CD2 3.96Å; H108-Y148 HydrophobicContact CB-CD2 3.83Å; H108-Y148 VanDerWaalsContact CE1-CB 3.43Å; H108-Y148 WeakPolarHBondContact CE1-CB 3.32Å; H108-Y148 AromaticContact CG-CD2 3.73Å; H108-Y148 WeakPolarHBondContact ND1-CB 3.4Å; H108-A149 PolarHBondContact CE1-N 2.86Å; H108-A149 VanDerWaalsContact CE1-N 3.31Å; H108-L152 VanDerWaalsContact NE2-CD1 3.34Å; H108-L152 WeakPolarHBondContact NE2-CD1 3.45Å |
| 109 | T | 98.5 | Very high | 97.8 | Very high | 63 Ų | 63 | 49.7 Ų | 49.7 | 39% | 0.387 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 179.6 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | L105 N106 T107 E112 Q113 | L105-T109 WeakPolarHBondContact O-CB 3.48Å; L105-T109 PolarHBondContact O-N 3.1Å; L105-T109 PolarHBondContact O-OG1 3.5Å; N106-T109 PolarHBondContact O-N 3.22Å; T107-T109 VanDerWaalsContact C-N 3.33Å; T107-T109 PolarHBondContact O-N 3.38Å; T109-E112 PolarHBondContact O-N 3.33Å; T109-Q113 WeakPolarHBondContact O-CG 3.4Å; T109-Q113 PolarHBondContact O-N 3.05Å |
| 110 | A | 98.6 | Very high | 97.9 | Very high | 43 Ų | 43 | 56.5 Ų | 56.5 | 36% | 0.355 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | N106 T107 H108 E112 Q113 M114 | N106-A110 PolarHBondContact O-N 3.13Å; T107-A110 PolarHBondContact O-N 3Å; H108-A110 VanDerWaalsContact C-N 3.34Å; H108-A110 PolarHBondContact O-N 2.9Å; A110-E112 VanDerWaalsContact C-N 3.35Å; A110-Q113 WeakPolarHBondContact O-CB 3.34Å; A110-Q113 PolarHBondContact O-N 3.38Å; A110-M114 WeakPolarHBondContact O-CG 3.35Å; A110-M114 PolarHBondContact O-N 3.17Å; A110-M114 VanDerWaalsContact O-N 3.08Å |
| 111 | L | 98.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.4 | -39 | 175.2 | -65.5 | 173.2 | 0 | 0 | 0 | 112 | T107 H108 M114 R115 P126 V128 L145 V264 | T107-L111 HydrophobicContact CG2-CD1 4.33Å; T107-L111 VanDerWaalsContact O-CG 3.31Å; T107-L111 WeakPolarHBondContact O-CG 3.23Å; T107-L111 PolarHBondContact O-N 2.64Å; H108-L111 WeakPolarHBondContact O-CB 3.41Å; H108-L111 PolarHBondContact O-N 2.85Å; L111-M114 HydrophobicContact CD2-SD 4.22Å; L111-M114 WeakPolarHBondContact O-CB 3.43Å; L111-M114 PolarHBondContact O-N 2.88Å; L111-R115 WeakPolarHBondContact O-CG 3.48Å; L111-R115 PolarHBondContact O-N 3.24Å; L111-P126 HydrophobicContact CB-CG 4.49Å; L111-P126 HydrophobicContact CD2-CB 4.09Å; L111-P126 HydrophobicContact CD2-CG 4.26Å; L111-V128 HydrophobicContact CD1-CG1 4.47Å; L111-V128 HydrophobicContact CD1-CG2 3.8Å; L111-V128 HydrophobicContact CD2-CG2 3.38Å; L111-V128 HydrophobicContact CG-CG2 4.22Å; L111-L145 HydrophobicContact CD1-CD1 4.45Å; L111-L145 HydrophobicContact CD1-CD2 4.36Å; L111-V264 HydrophobicContact CD2-CB 4.44Å; L111-V264 HydrophobicContact CD2-CG2 3.97Å |
| 112 | E | 98.7 | Very high | 97.7 | Very high | 11 Ų | 11 | 67.9 Ų | 67.9 | 5% | 0.051 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.9 | -37 | 175 | 174.7 | 56 | -159.2 | 0 | 0 | 112.2 | H108 T109 A110 M114 R115 R116 L152 R154 | H108-E112 PolarHBondContact O-N 3.2Å; T109-E112 PolarHBondContact O-N 3.33Å; A110-E112 VanDerWaalsContact C-N 3.35Å; E112-M114 VanDerWaalsContact C-N 3.32Å; E112-M114 PolarHBondContact O-N 3.25Å; E112-R115 PolarHBondContact O-N 3.45Å; E112-R115 IonicContact OE2-NH1 3.87Å; E112-R116 WeakPolarHBondContact O-CG 3.46Å; E112-R116 PolarHBondContact O-N 3.37Å; E112-R116 WeakPolarHBondContact OE1-CG 3.44Å; E112-R116 IonicContact OE1-CZ 3.89Å; E112-R116 IonicContact OE1-NE 2.97Å; E112-R116 PolarHBondContact OE1-NE 2.95Å; E112-R116 IonicContact OE1-NH2 3.52Å; E112-L152 HydrophobicContact CB-CD1 4.32Å; E112-L152 HydrophobicContact CG-CD1 3.8Å; E112-R154 IonicContact OE1-CZ 3.52Å; E112-R154 IonicContact OE1-NE 2.77Å; E112-R154 PolarHBondContact OE1-NE 3.33Å; E112-R154 IonicContact OE1-NH2 3.3Å; E112-R154 PolarHBondContact OE1-NH2 2.68Å; E112-R154 IonicContact OE2-CZ 3.49Å; E112-R154 IonicContact OE2-NE 3.38Å; E112-R154 PolarHBondContact OE2-NE 3.45Å; E112-R154 IonicContact OE2-NH2 2.79Å |
| 113 | Q | 98.5 | Very high | 97.7 | Very high | 127 Ų | 127 | 69.4 Ų | 69.4 | 59% | 0.593 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.4 | -43 | 171.5 | -70.6 | 171.6 | -4.1 | 0 | 0 | 111.6 | T109 A110 R115 R116 Q117 | T109-Q113 WeakPolarHBondContact O-CG 3.4Å; T109-Q113 PolarHBondContact O-N 3.05Å; A110-Q113 WeakPolarHBondContact O-CB 3.34Å; A110-Q113 PolarHBondContact O-N 3.38Å; Q113-R115 VanDerWaalsContact C-N 3.34Å; Q113-R115 PolarHBondContact O-N 3.47Å; Q113-R116 PolarHBondContact O-N 2.68Å; Q113-Q117 WeakPolarHBondContact O-CB 3.46Å; Q113-Q117 PolarHBondContact O-N 3.26Å |
| 114 | M | 98.4 | Very high | 97.6 | Very high | 41 Ų | 41 | 70 Ų | 70 | 20% | 0.202 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.6 | -42 | 174 | -66.2 | 173.3 | 73.8 | 0 | 0 | 111.7 | A110 L111 E112 Q117 A118 P126 D263 V264 | A110-M114 WeakPolarHBondContact O-CG 3.35Å; A110-M114 PolarHBondContact O-N 3.17Å; A110-M114 VanDerWaalsContact O-N 3.08Å; L111-M114 HydrophobicContact CD2-SD 4.22Å; L111-M114 WeakPolarHBondContact O-CB 3.43Å; L111-M114 PolarHBondContact O-N 2.88Å; E112-M114 VanDerWaalsContact C-N 3.32Å; E112-M114 PolarHBondContact O-N 3.25Å; M114-Q117 PolarHBondContact O-N 3.21Å; M114-A118 WeakPolarHBondContact O-CB 3.3Å; M114-A118 PolarHBondContact O-N 3.31Å; M114-P126 HydrophobicContact CB-CB 4.14Å; M114-P126 HydrophobicContact CB-CG 4.05Å; M114-P126 HydrophobicContact CE-CB 3.75Å; M114-P126 HydrophobicContact SD-CB 4.05Å; M114-D263 HydrophobicContact CE-CB 3.94Å; M114-V264 HydrophobicContact CE-CG2 4.02Å; M114-V264 HydrophobicContact SD-CG2 3.95Å |
| 115 | R | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 176 | -68.8 | -178 | -170.7 | 107.7 | 5.3 | 112.6 | L111 E112 Q113 Q117 A118 E119 P126 V234 S235 | L111-R115 WeakPolarHBondContact O-CG 3.48Å; L111-R115 PolarHBondContact O-N 3.24Å; E112-R115 PolarHBondContact O-N 3.45Å; E112-R115 IonicContact OE2-NH1 3.87Å; Q113-R115 VanDerWaalsContact C-N 3.34Å; Q113-R115 PolarHBondContact O-N 3.47Å; R115-Q117 VanDerWaalsContact C-N 3.31Å; R115-Q117 PolarHBondContact O-N 3.04Å; R115-A118 PolarHBondContact O-N 3.48Å; R115-E119 WeakPolarHBondContact O-CB 3.35Å; R115-E119 PolarHBondContact O-N 3.11Å; R115-P126 VanDerWaalsContact CG-CD 3.45Å; R115-P126 HydrophobicContact CG-CG 3.88Å; R115-V234 WeakPolarHBondContact CG-O 3.23Å; R115-S235 PolarHBondContact NE-O 3.45Å |
| 116 | R | 98.3 | Very high | 97.7 | Very high | 155 Ų | 155 | 67 Ų | 67 | 59% | 0.585 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63 | -39.3 | 177.9 | -71 | 177 | -177.8 | -164.2 | -2.3 | 112 | E112 Q113 E119 K120 | E112-R116 WeakPolarHBondContact O-CG 3.46Å; E112-R116 PolarHBondContact O-N 3.37Å; E112-R116 WeakPolarHBondContact OE1-CG 3.44Å; E112-R116 IonicContact OE1-CZ 3.89Å; E112-R116 IonicContact OE1-NE 2.97Å; E112-R116 PolarHBondContact OE1-NE 2.95Å; E112-R116 IonicContact OE1-NH2 3.52Å; Q113-R116 PolarHBondContact O-N 2.68Å; R116-E119 PolarHBondContact O-N 3.42Å; R116-K120 PolarHBondContact O-N 3.41Å; R116-K120 VanDerWaalsContact O-N 3.12Å |
| 117 | Q | 97.8 | Very high | 97.7 | Very high | 85 Ų | 85 | 62.9 Ų | 62.9 | 40% | 0.397 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.5 | -49.7 | 176.1 | -169.9 | 64.2 | 22.3 | 0 | 0 | 110.9 | Q113 M114 R115 E119 K120 E121 | Q113-Q117 WeakPolarHBondContact O-CB 3.46Å; Q113-Q117 PolarHBondContact O-N 3.26Å; M114-Q117 PolarHBondContact O-N 3.21Å; R115-Q117 VanDerWaalsContact C-N 3.31Å; R115-Q117 PolarHBondContact O-N 3.04Å; Q117-E119 VanDerWaalsContact C-N 3.25Å; Q117-E119 PolarHBondContact O-N 2.81Å; Q117-K120 WeakPolarHBondContact O-CB 3.47Å; Q117-K120 PolarHBondContact O-N 2.9Å; Q117-E121 WeakPolarHBondContact CG-OE2 3.49Å; Q117-E121 PolarHBondContact NE2-OE1 2.89Å; Q117-E121 PolarHBondContact NE2-OE2 2.88Å; Q117-E121 PolarHBondContact O-N 2.84Å |
| 118 | A | 96.9 | Very high | 97.7 | Very high | 5 Ų | 5 | 62 Ų | 62 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.9 | -35.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | M114 R115 E122 E123 R124 R230 | M114-A118 WeakPolarHBondContact O-CB 3.3Å; M114-A118 PolarHBondContact O-N 3.31Å; R115-A118 PolarHBondContact O-N 3.48Å; A118-E122 CarbonylContact O-C 3.58Å; A118-E122 PolarHBondContact O-N 3.24Å; A118-E122 VanDerWaalsContact O-N 3.14Å; A118-E123 HydrophobicContact CB-CB 4.41Å; A118-E123 PolarHBondContact O-N 3.41Å; A118-R124 WeakPolarHBondContact CB-O 3.16Å; A118-R230 PolarHBondContact O-NH2 3.19Å |
| 119 | E | 96.2 | Very high | 97.8 | Very high | 105 Ų | 105 | 61.5 Ų | 61.5 | 49% | 0.491 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 174.3 | -168.7 | 159.8 | -142.6 | 0 | 0 | 111.7 | R115 R116 Q117 R154 V234 | R115-E119 WeakPolarHBondContact O-CB 3.35Å; R115-E119 PolarHBondContact O-N 3.11Å; R116-E119 PolarHBondContact O-N 3.42Å; Q117-E119 VanDerWaalsContact C-N 3.25Å; Q117-E119 PolarHBondContact O-N 2.81Å; E119-R154 IonicContact OE1-NH1 2.72Å; E119-R154 IonicContact OE2-CZ 3.6Å; E119-R154 IonicContact OE2-NH1 3.68Å; E119-R154 PolarHBondContact OE2-NH1 2.98Å; E119-R154 IonicContact OE2-NH2 3.73Å; E119-R154 PolarHBondContact OE2-NH2 3.04Å; E119-V234 HydrophobicContact CB-CG1 3.76Å; E119-V234 HydrophobicContact CG-CG1 4.25Å |
| 120 | K | 97.2 | Very high | 97.8 | Very high | 170 Ų | 170 | 58.5 Ų | 58.5 | 74% | 0.739 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -71.1 | -37.4 | 179.7 | -176.1 | -176.3 | 175.9 | -171.8 | 0 | 113.2 | R116 Q117 E122 | R116-K120 PolarHBondContact O-N 3.41Å; R116-K120 VanDerWaalsContact O-N 3.12Å; Q117-K120 WeakPolarHBondContact O-CB 3.47Å; Q117-K120 PolarHBondContact O-N 2.9Å; K120-E122 VanDerWaalsContact C-N 3.33Å |
| 121 | E | 96.9 | Very high | 97.8 | Very high | 99 Ų | 99 | 56.5 Ų | 56.5 | 46% | 0.463 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 4.1 | -177.6 | -67.6 | 179.7 | 156.4 | 0 | 0 | 113.2 | Q117 E123 | Q117-E121 WeakPolarHBondContact CG-OE2 3.49Å; Q117-E121 PolarHBondContact NE2-OE1 2.89Å; Q117-E121 PolarHBondContact NE2-OE2 2.88Å; Q117-E121 PolarHBondContact O-N 2.84Å; E121-E123 HydrophobicContact CB-CG 3.99Å; E121-E123 PolarHBondContact O-N 3.11Å |
| 122 | E | 93.8 | Very high | 97.7 | Very high | 164 Ų | 164 | 56.3 Ų | 56.3 | 77% | 0.766 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 20.4 | -176.1 | -59.2 | -170.2 | 168.4 | 0 | 0 | 114.7 | A118 K120 R230 | A118-E122 CarbonylContact O-C 3.58Å; A118-E122 PolarHBondContact O-N 3.24Å; A118-E122 VanDerWaalsContact O-N 3.14Å; K120-E122 VanDerWaalsContact C-N 3.33Å; E122-R230 VanDerWaalsContact C-NH2 3.28Å; E122-R230 PolarHBondContact O-NH1 2.82Å; E122-R230 VanDerWaalsContact O-NH1 3.11Å |
| 123 | E | 95.9 | Very high | 97.7 | Very high | 117 Ų | 117 | 57.1 Ų | 57.1 | 55% | 0.547 | 26% | 0.258 | S | S | . | . | trans | -93.2 | 175.8 | 179.7 | -60.7 | -168.2 | 165.3 | 0 | 0 | 113.4 | A118 E121 R230 | A118-E123 HydrophobicContact CB-CB 4.41Å; A118-E123 PolarHBondContact O-N 3.41Å; E121-E123 HydrophobicContact CB-CG 3.99Å; E121-E123 PolarHBondContact O-N 3.11Å; E123-R230 PolarHBondContact O-NH1 2.91Å; E123-R230 PolarHBondContact O-NH2 2.73Å; E123-R230 VanDerWaalsContact O-NH2 3.16Å | ||
| 124 | R | 96.8 | Very high | 97.5 | Very high | 87 Ų | 87 | 54.8 Ų | 54.8 | 33% | 0.328 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -76 | 153.3 | 174.3 | 70.4 | 170.6 | -167.4 | -113.1 | -3.3 | 111.7 | A118 E261 D263 | A118-R124 WeakPolarHBondContact CB-O 3.16Å; R124-E261 IonicContact CZ-OE2 3.32Å; R124-E261 IonicContact NH1-OE2 2.93Å; R124-E261 PolarHBondContact NH1-OE2 3.43Å; R124-E261 IonicContact NH2-OE2 2.8Å; R124-D263 IonicContact NH2-OD1 3.94Å; R124-D263 PolarHBondContact NH2-OD1 3.17Å; R124-D263 VanDerWaalsContact NH2-OD1 3.13Å |
| 125 | G | 98.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 172.2 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | S233 V234 | G125-S233 WeakPolarHBondContact CA-O 3.33Å; G125-S233 PolarHBondContact N-O 3Å; G125-V234 WeakPolarHBondContact CA-O 3.35Å |
| 126 | P | 98.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.013 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 135.2 | -176.4 | 29.9 | -34.8 | 0 | 0 | 0 | 112.3 | L111 M114 R115 V128 G236 C237 D263 | L111-P126 HydrophobicContact CB-CG 4.49Å; L111-P126 HydrophobicContact CD2-CB 4.09Å; L111-P126 HydrophobicContact CD2-CG 4.26Å; M114-P126 HydrophobicContact CB-CB 4.14Å; M114-P126 HydrophobicContact CB-CG 4.05Å; M114-P126 HydrophobicContact CE-CB 3.75Å; M114-P126 HydrophobicContact SD-CB 4.05Å; R115-P126 VanDerWaalsContact CG-CD 3.45Å; R115-P126 HydrophobicContact CG-CG 3.88Å; P126-V128 HydrophobicContact CB-CG2 4.43Å; P126-G236 WeakPolarHBondContact O-CA 3.25Å; P126-C237 PolarHBondContact O-N 2.85Å; P126-D263 WeakPolarHBondContact CA-OD2 3.42Å |
| 127 | R | 98.8 | Very high | 97.1 | Very high | 12 Ų | 12 | 47.9 Ų | 47.9 | 5% | 0.045 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 113.9 | 172.3 | -58.9 | -178.7 | -175.5 | -171 | -6.4 | 109.1 | F222 N223 F260 D263 V264 | R127-F222 HydrophobicContact CG-CE1 4.38Å; R127-N223 PolarHBondContact NH1-OD1 2.88Å; R127-N223 PolarHBondContact NH2-OD1 2.94Å; R127-F260 WeakPolarHBondContact CD-O 3.31Å; R127-F260 PolarHBondContact NH1-O 3.02Å; R127-D263 PolarHBondContact N-OD2 3Å; R127-D263 PolarHBondContact O-N 3.02Å; R127-V264 PolarHBondContact O-N 2.94Å |
| 128 | V | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 123.8 | -169.3 | -172.2 | 0 | 0 | 0 | 0 | 109.8 | L111 P126 C237 V238 I239 V264 V266 | L111-V128 HydrophobicContact CD1-CG1 4.47Å; L111-V128 HydrophobicContact CD1-CG2 3.8Å; L111-V128 HydrophobicContact CD2-CG2 3.38Å; L111-V128 HydrophobicContact CG-CG2 4.22Å; P126-V128 HydrophobicContact CB-CG2 4.43Å; V128-C237 PolarHBondContact N-O 3.43Å; V128-V238 CarbonylContact O-C 3.58Å; V128-V238 WeakPolarHBondContact O-CA 3.35Å; V128-I239 PolarHBondContact O-N 2.98Å; V128-V264 CarbonylContact C-O 3.58Å; V128-V264 WeakPolarHBondContact CA-O 3.41Å; V128-V264 HydrophobicContact CG1-CB 4.36Å; V128-V264 HydrophobicContact CG1-CG1 4.41Å; V128-V264 HydrophobicContact CG2-CB 4.34Å; V128-V266 HydrophobicContact CG1-CG2 3.96Å |
| 129 | M | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 127.5 | 174.8 | -171.7 | 177.8 | 63.4 | 0 | 0 | 111.1 | V131 I239 T241 A256 A257 V262 V264 V265 V266 | M129-V131 HydrophobicContact CE-CG1 3.69Å; M129-V131 HydrophobicContact CG-CG1 3.82Å; M129-V131 HydrophobicContact SD-CG1 4.08Å; M129-I239 HydrophobicContact CB-CB 4.35Å; M129-I239 HydrophobicContact CB-CD1 4.38Å; M129-I239 HydrophobicContact CG-CB 4.25Å; M129-I239 HydrophobicContact CG-CG2 4.29Å; M129-T241 HydrophobicContact CG-CG2 3.81Å; M129-T241 HydrophobicContact SD-CG2 4.11Å; M129-A256 HydrophobicContact SD-CB 4.08Å; M129-A257 HydrophobicContact CE-CB 3.71Å; M129-A257 HydrophobicContact SD-CB 4.4Å; M129-V262 HydrophobicContact CB-CG1 4Å; M129-V264 PolarHBondContact N-O 2.96Å; M129-V265 HydrophobicContact CB-CG2 4.46Å; M129-V265 HydrophobicContact CE-CG1 4.06Å; M129-V265 HydrophobicContact CE-CG2 3.85Å; M129-V265 CarbonylContact O-C 3.49Å; M129-V265 WeakPolarHBondContact O-CA 3.38Å; M129-V266 PolarHBondContact O-N 2.93Å |
| 130 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 117.4 | 179.2 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | K138 C142 V238 I239 T241 V266 L268 | V130-K138 HydrophobicContact CG1-CB 4.05Å; V130-K138 HydrophobicContact CG1-CG 4.14Å; V130-C142 VanDerWaalsContact CG2-SG 3.58Å; V130-V238 HydrophobicContact CG2-CG1 4.29Å; V130-I239 PolarHBondContact N-O 2.82Å; V130-T241 PolarHBondContact O-OG1 2.74Å; V130-T241 VanDerWaalsContact O-OG1 3.13Å; V130-V266 WeakPolarHBondContact CA-O 3.2Å; V130-V266 HydrophobicContact CG2-CB 4.35Å; V130-L268 HydrophobicContact CG1-CD1 4Å; V130-L268 HydrophobicContact CG1-CG 4.15Å |
| 131 | V | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 158.6 | -173.6 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | M129 T241 L253 V265 V266 V267 L268 L273 L277 | M129-V131 HydrophobicContact CE-CG1 3.69Å; M129-V131 HydrophobicContact CG-CG1 3.82Å; M129-V131 HydrophobicContact SD-CG1 4.08Å; V131-T241 HydrophobicContact CG1-CG2 3.99Å; V131-L253 HydrophobicContact CB-CD1 4.36Å; V131-L253 HydrophobicContact CG1-CD1 4.4Å; V131-L253 HydrophobicContact CG1-CD2 3.94Å; V131-V265 HydrophobicContact CG1-CG1 4.33Å; V131-V265 HydrophobicContact CG2-CG1 3.76Å; V131-V266 PolarHBondContact N-O 3.01Å; V131-V267 HydrophobicContact CG2-CB 4.18Å; V131-V267 HydrophobicContact CG2-CG1 4.31Å; V131-V267 HydrophobicContact CG2-CG2 3.7Å; V131-V267 WeakPolarHBondContact O-CA 3.24Å; V131-L268 PolarHBondContact O-N 3.33Å; V131-L273 HydrophobicContact CB-CD2 4.38Å; V131-L273 HydrophobicContact CG2-CD2 4.05Å; V131-L277 HydrophobicContact CG2-CD1 3.67Å |
| 132 | G | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | 149.9 | 165.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K138 V245 | G132-K138 WeakPolarHBondContact O-CE 3.48Å; G132-K138 PolarHBondContact O-NZ 3.28Å; G132-V245 VanDerWaalsContact C-CG1 3.44Å; G132-V245 WeakPolarHBondContact O-CG1 3.43Å | ||
| 133 | P | 97.2 | Very high | 97.5 | Very high | 29 Ų | 29 | 25.8 Ų | 25.8 | 19% | 0.188 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -64.4 | 179.2 | -179 | 26.4 | -31.5 | 0 | 0 | 0 | 112.1 | V136 K138 V245 Q270 | P133-V136 HydrophobicContact CG-CG1 3.7Å; P133-V136 VanDerWaalsContact O-CG2 3.31Å; P133-V136 WeakPolarHBondContact O-CG2 3.35Å; P133-K138 PolarHBondContact O-NZ 3.08Å; P133-V245 HydrophobicContact CB-CG2 4.44Å; P133-Q270 HydrophobicContact CG-CB 4.44Å |
| 134 | T | 95.3 | Very high | 97.6 | Very high | 78 Ų | 78 | 20.3 Ų | 20.3 | 48% | 0.479 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 148.8 | 171.1 | 45.9 | 0 | 0 | 0 | 0 | 111.2 | V136 | T134-V136 PolarHBondContact O-N 2.76Š|
| 135 | D | 94.3 | Very high | 97.7 | Very high | 32 Ų | 32 | 16.3 Ų | 16.3 | 17% | 0.171 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 42.9 | 171.2 | -52.5 | -28.9 | 0 | 0 | 0 | 115.1 | V296 R299 R304 | D135-V296 VanDerWaalsContact C-CG1 3.47Å; D135-V296 WeakPolarHBondContact O-CG1 3.24Å; D135-R299 PolarHBondContact OD2-N 2.86Å; D135-R304 IonicContact OD1-CZ 3.32Å; D135-R304 IonicContact OD1-NH2 3.81Å; D135-R304 PolarHBondContact OD1-NH2 2.77Å; D135-R304 IonicContact OD2-CZ 3.69Å; D135-R304 IonicContact OD2-NH2 2.68Å; D135-R304 PolarHBondContact OD2-NH2 2.92Å |
| 136 | V | 96.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 2% | 0.024 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -116 | 4 | 171.5 | -58.1 | 0 | 0 | 0 | 0 | 113.8 | P133 T134 K138 L268 D269 K292 | P133-V136 HydrophobicContact CG-CG1 3.7Å; P133-V136 VanDerWaalsContact O-CG2 3.31Å; P133-V136 WeakPolarHBondContact O-CG2 3.35Å; T134-V136 PolarHBondContact O-N 2.76Å; V136-K138 HydrophobicContact CG2-CD 4.48Å; V136-K138 HydrophobicContact CG2-CG 3.73Å; V136-L268 HydrophobicContact CB-CB 4.02Å; V136-L268 HydrophobicContact CG2-CB 3.61Å; V136-L268 HydrophobicContact CG2-CD1 4.21Å; V136-D269 HydrophobicContact CB-CB 4.3Å; V136-D269 HydrophobicContact CG1-CB 4Å; V136-K292 HydrophobicContact CB-CB 4.29Å |
| 137 | G | 96.2 | Very high | 97.7 | Very high | 14 Ų | 14 | 16.1 Ų | 16.1 | 14% | 0.144 | 10% | 0.095 | C | C | . | . | trans | 86.4 | 20.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | S139 T140 V141 | G137-S139 PolarHBondContact O-N 2.87Å; G137-T140 WeakPolarHBondContact O-CB 3.5Å; G137-T140 PolarHBondContact O-N 3.29Å; G137-T140 VanDerWaalsContact O-N 3.12Å; G137-V141 PolarHBondContact O-N 2.84Å | ||
| 138 | K | 97.7 | Very high | 97.7 | Very high | 15 Ų | 15 | 16 Ų | 16 | 7% | 0.065 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -51.6 | -53.6 | -178.8 | -63.1 | -168.3 | -64.3 | -72.2 | 0 | 113.8 | V130 G132 P133 V136 T140 V141 C142 N240 T241 L268 | V130-K138 HydrophobicContact CG1-CB 4.05Å; V130-K138 HydrophobicContact CG1-CG 4.14Å; G132-K138 WeakPolarHBondContact O-CE 3.48Å; G132-K138 PolarHBondContact O-NZ 3.28Å; P133-K138 PolarHBondContact O-NZ 3.08Å; V136-K138 HydrophobicContact CG2-CD 4.48Å; V136-K138 HydrophobicContact CG2-CG 3.73Å; K138-T140 VanDerWaalsContact C-N 3.28Å; K138-T140 PolarHBondContact O-N 3.27Å; K138-V141 PolarHBondContact O-N 3.44Å; K138-C142 PolarHBondContact O-N 3.49Å; K138-C142 PolarHBondContact O-SG 2.92Å; K138-N240 WeakPolarHBondContact CB-OD1 3.41Å; K138-T241 WeakPolarHBondContact CE-O 3.46Å; K138-L268 HydrophobicContact CB-CD1 4.36Å; K138-L268 HydrophobicContact CG-CD1 3.95Å |
| 139 | S | 96.9 | Very high | 97.7 | Very high | 49 Ų | 49 | 16 Ų | 16 | 34% | 0.343 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -63.3 | -34.7 | 179.9 | -49.4 | 0 | 0 | 0 | 0 | 112.2 | G137 C142 R143 N240 | G137-S139 PolarHBondContact O-N 2.87Å; S139-C142 PolarHBondContact O-N 2.88Å; S139-R143 WeakPolarHBondContact O-CB 3.34Å; S139-R143 PolarHBondContact O-N 3.39Å; S139-N240 PolarHBondContact OG-ND2 2.71Å |
| 140 | T | 96.9 | Very high | 97.6 | Very high | 51 Ų | 51 | 16.7 Ų | 16.7 | 31% | 0.313 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -65.5 | -46 | 175.3 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | F56 G137 K138 R143 L144 | F56-T140 HydrophobicContact CD1-CG2 3.29Å; F56-T140 HydrophobicContact CD2-CG2 4.45Å; F56-T140 HydrophobicContact CE1-CG2 3.44Å; F56-T140 VanDerWaalsContact CE1-CG2 3.44Å; F56-T140 HydrophobicContact CG-CG2 3.84Å; F56-T140 HydrophobicContact CZ-CG2 4.11Å; G137-T140 WeakPolarHBondContact O-CB 3.5Å; G137-T140 PolarHBondContact O-N 3.29Å; G137-T140 VanDerWaalsContact O-N 3.12Å; K138-T140 VanDerWaalsContact C-N 3.28Å; K138-T140 PolarHBondContact O-N 3.27Å; T140-R143 PolarHBondContact O-N 3.46Å; T140-L144 WeakPolarHBondContact O-CB 3.28Å; T140-L144 PolarHBondContact O-N 2.85Å |
| 141 | V | 98.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.012 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.7 | -41.9 | 175.8 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | Y104 G137 K138 R143 L144 L145 L268 | Y104-V141 HydrophobicContact CD1-CG2 4.45Å; Y104-V141 HydrophobicContact CE1-CG2 3.86Å; Y104-V141 HydrophobicContact CE2-CG2 4.17Å; G137-V141 PolarHBondContact O-N 2.84Å; K138-V141 PolarHBondContact O-N 3.44Å; V141-R143 PolarHBondContact O-N 3.44Å; V141-L144 PolarHBondContact O-N 2.8Å; V141-L145 HydrophobicContact CG1-CD1 3.95Å; V141-L145 HydrophobicContact CG1-CG 4.24Å; V141-L145 VanDerWaalsContact O-CG 3.31Å; V141-L145 WeakPolarHBondContact O-CG 3.44Å; V141-L145 PolarHBondContact O-N 3.24Å; V141-L268 HydrophobicContact CB-CD1 4.26Å; V141-L268 HydrophobicContact CG2-CD1 3.83Å; V141-L268 HydrophobicContact CG2-CD2 4.37Å |
| 142 | C | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.1 | -50.2 | 174.9 | -66.3 | 0 | 0 | 0 | 0 | 111.3 | V130 K138 S139 L144 L145 L146 Y158 V238 | V130-C142 VanDerWaalsContact CG2-SG 3.58Å; K138-C142 PolarHBondContact O-N 3.49Å; K138-C142 PolarHBondContact O-SG 2.92Å; S139-C142 PolarHBondContact O-N 2.88Å; C142-L144 VanDerWaalsContact C-N 3.33Å; C142-L144 PolarHBondContact O-N 3.46Å; C142-L145 PolarHBondContact O-N 3.33Å; C142-L146 WeakPolarHBondContact O-CB 3.21Å; C142-L146 WeakPolarHBondContact O-CD1 3.26Å; C142-L146 WeakPolarHBondContact O-CG 3.42Å; C142-L146 PolarHBondContact O-N 3.27Å; C142-Y158 HydrophobicContact CB-CE2 3.8Å; C142-V238 HydrophobicContact CB-CG1 3.97Å |
| 143 | R | 98.1 | Very high | 97.4 | Very high | 47 Ų | 47 | 27 Ų | 27 | 18% | 0.177 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.2 | -45.1 | 177.9 | -178.9 | 172.9 | 176.5 | 170 | -1 | 111.9 | F56 S139 T140 V141 L146 N147 A183 D184 F189 | F56-R143 HydrophobicContact CB-CG 4.23Å; S139-R143 WeakPolarHBondContact O-CB 3.34Å; S139-R143 PolarHBondContact O-N 3.39Å; T140-R143 PolarHBondContact O-N 3.46Å; V141-R143 PolarHBondContact O-N 3.44Å; R143-L146 PolarHBondContact O-N 2.68Å; R143-N147 VanDerWaalsContact O-CB 3.29Å; R143-N147 WeakPolarHBondContact O-CB 3.39Å; R143-N147 PolarHBondContact O-N 3.06Å; R143-A183 HydrophobicContact CG-CB 4.43Å; R143-D184 PolarHBondContact NH2-O 3.49Å; R143-F189 HydrophobicContact CB-CE2 4.22Å; R143-F189 HydrophobicContact CB-CZ 4.47Å; R143-F189 HydrophobicContact CG-CE2 4Å; R143-F189 HydrophobicContact CG-CZ 4.02Å |
| 144 | L | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.9 | -48.7 | 178.5 | -178.5 | 153.4 | 0 | 0 | 0 | 112.3 | F56 M101 Y104 T140 V141 C142 L146 N147 Y148 | F56-L144 WeakPolarHBondContact O-CA 3.32Å; M101-L144 HydrophobicContact CE-CD1 3.82Å; M101-L144 HydrophobicContact SD-CD1 3.53Å; M101-L144 VanDerWaalsContact SD-CD1 3.53Å; Y104-L144 HydrophobicContact CD2-CD1 4.04Å; T140-L144 WeakPolarHBondContact O-CB 3.28Å; T140-L144 PolarHBondContact O-N 2.85Å; V141-L144 PolarHBondContact O-N 2.8Å; C142-L144 VanDerWaalsContact C-N 3.33Å; C142-L144 PolarHBondContact O-N 3.46Å; L144-L146 VanDerWaalsContact C-N 3.32Å; L144-L146 PolarHBondContact O-N 3.06Å; L144-N147 PolarHBondContact O-N 3.35Å; L144-Y148 HydrophobicContact CD2-CD2 3.66Å; L144-Y148 HydrophobicContact CD2-CE2 3.41Å; L144-Y148 VanDerWaalsContact CD2-CE2 3.41Å; L144-Y148 HydrophobicContact CD2-CG 4.42Å; L144-Y148 HydrophobicContact CG-CD2 4.39Å; L144-Y148 HydrophobicContact CG-CE2 4.01Å; L144-Y148 PolarHBondContact O-N 3.44Å |
| 145 | L | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.6 | -39 | 179.7 | -69 | 177.6 | 0 | 0 | 0 | 112.3 | T107 H108 L111 V141 C142 A149 | T107-L145 HydrophobicContact CG2-CD2 4.36Å; H108-L145 HydrophobicContact CB-CD2 3.96Å; L111-L145 HydrophobicContact CD1-CD1 4.45Å; L111-L145 HydrophobicContact CD1-CD2 4.36Å; V141-L145 HydrophobicContact CG1-CD1 3.95Å; V141-L145 HydrophobicContact CG1-CG 4.24Å; V141-L145 VanDerWaalsContact O-CG 3.31Å; V141-L145 WeakPolarHBondContact O-CG 3.44Å; V141-L145 PolarHBondContact O-N 3.24Å; C142-L145 PolarHBondContact O-N 3.33Å; L145-A149 WeakPolarHBondContact O-CB 3.29Å; L145-A149 PolarHBondContact O-N 2.99Å; L145-A149 VanDerWaalsContact O-N 3.11Å |
| 146 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.1 | -47.7 | 175.9 | -70.8 | 165.3 | 0 | 0 | 0 | 111.5 | C142 R143 L144 Y148 A149 V150 P156 Y158 I179 F189 V238 | C142-L146 WeakPolarHBondContact O-CB 3.21Å; C142-L146 WeakPolarHBondContact O-CD1 3.26Å; C142-L146 WeakPolarHBondContact O-CG 3.42Å; C142-L146 PolarHBondContact O-N 3.27Å; R143-L146 PolarHBondContact O-N 2.68Å; L144-L146 VanDerWaalsContact C-N 3.32Å; L144-L146 PolarHBondContact O-N 3.06Å; L146-Y148 PolarHBondContact O-N 3.37Å; L146-A149 WeakPolarHBondContact O-CB 3.35Å; L146-A149 PolarHBondContact O-N 2.61Å; L146-V150 WeakPolarHBondContact O-CG2 3.26Å; L146-V150 PolarHBondContact O-N 3.02Å; L146-P156 HydrophobicContact CD2-CB 3.88Å; L146-P156 HydrophobicContact CD2-CG 3.51Å; L146-Y158 HydrophobicContact CD1-CD1 4.47Å; L146-Y158 HydrophobicContact CD1-CD2 3.5Å; L146-Y158 HydrophobicContact CD1-CE2 4.24Å; L146-Y158 HydrophobicContact CD1-CG 3.62Å; L146-I179 HydrophobicContact CD1-CG1 4.37Å; L146-I179 HydrophobicContact CD2-CG1 4.07Å; L146-F189 HydrophobicContact CB-CE1 4.31Å; L146-F189 HydrophobicContact CB-CE2 4.36Å; L146-F189 HydrophobicContact CB-CZ 3.63Å; L146-F189 HydrophobicContact CD1-CE2 3.71Å; L146-F189 HydrophobicContact CD1-CZ 3.84Å; L146-F189 HydrophobicContact CG-CZ 4.42Å; L146-V238 HydrophobicContact CD2-CB 3.9Å; L146-V238 HydrophobicContact CD2-CG2 3.74Å; L146-V238 HydrophobicContact CG-CB 4.1Å; L146-V238 HydrophobicContact CG-CG2 4.06Å |
| 147 | N | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.4 | -46.7 | 178.1 | -85.9 | -20.8 | 0 | 0 | 0 | 112 | F56 T58 R143 L144 A149 V150 R151 P182 A183 F189 | F56-N147 PolarHBondContact O-ND2 2.93Å; T58-N147 PolarHBondContact N-ND2 2.86Å; T58-N147 PolarHBondContact OG1-ND2 3.28Å; R143-N147 VanDerWaalsContact O-CB 3.29Å; R143-N147 WeakPolarHBondContact O-CB 3.39Å; R143-N147 PolarHBondContact O-N 3.06Å; L144-N147 PolarHBondContact O-N 3.35Å; N147-A149 PolarHBondContact O-N 2.83Å; N147-V150 PolarHBondContact O-N 2.97Å; N147-R151 WeakPolarHBondContact O-CG 3.19Å; N147-R151 PolarHBondContact O-N 3.33Å; N147-P182 VanDerWaalsContact OD1-CA 3.24Å; N147-P182 WeakPolarHBondContact OD1-CA 3.41Å; N147-A183 PolarHBondContact OD1-N 2.61Å; N147-F189 WeakPolarHBondContact OD1-CE1 2.78Å |
| 148 | Y | 98.6 | Very high | 97.9 | Very high | 11 Ų | 11 | 24.1 Ų | 24.1 | 4% | 0.043 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.5 | -41.2 | 175.8 | -71.9 | -9.5 | 0 | 0 | 0 | 112.5 | E54 M101 L105 H108 L144 L146 V150 R151 L152 | E54-Y148 PolarHBondContact OE1-OH 3.32Å; M101-Y148 VanDerWaalsContact CE-OH 3.3Å; M101-Y148 WeakPolarHBondContact CE-OH 3.37Å; L105-Y148 HydrophobicContact CD1-CD2 4.46Å; L105-Y148 HydrophobicContact CD1-CE2 4.07Å; H108-Y148 HydrophobicContact CB-CD2 3.83Å; H108-Y148 VanDerWaalsContact CE1-CB 3.43Å; H108-Y148 WeakPolarHBondContact CE1-CB 3.32Å; H108-Y148 AromaticContact CG-CD2 3.73Å; H108-Y148 WeakPolarHBondContact ND1-CB 3.4Å; L144-Y148 HydrophobicContact CD2-CD2 3.66Å; L144-Y148 HydrophobicContact CD2-CE2 3.41Å; L144-Y148 VanDerWaalsContact CD2-CE2 3.41Å; L144-Y148 HydrophobicContact CD2-CG 4.42Å; L144-Y148 HydrophobicContact CG-CD2 4.39Å; L144-Y148 HydrophobicContact CG-CE2 4.01Å; L144-Y148 PolarHBondContact O-N 3.44Å; L146-Y148 PolarHBondContact O-N 3.37Å; Y148-V150 VanDerWaalsContact C-N 3.33Å; Y148-V150 PolarHBondContact O-N 3.26Å; Y148-R151 PolarHBondContact O-N 2.98Å; Y148-L152 PolarHBondContact O-N 2.87Å |
| 149 | A | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.9 | -43.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | H108 L145 L146 N147 L152 G153 R154 P156 | H108-A149 PolarHBondContact CE1-N 2.86Å; H108-A149 VanDerWaalsContact CE1-N 3.31Å; L145-A149 WeakPolarHBondContact O-CB 3.29Å; L145-A149 PolarHBondContact O-N 2.99Å; L145-A149 VanDerWaalsContact O-N 3.11Å; L146-A149 WeakPolarHBondContact O-CB 3.35Å; L146-A149 PolarHBondContact O-N 2.61Å; N147-A149 PolarHBondContact O-N 2.83Å; A149-L152 CarbonylContact O-C 3.6Å; A149-L152 PolarHBondContact O-N 2.97Å; A149-G153 PolarHBondContact O-N 3.22Å; A149-R154 HydrophobicContact CB-CB 4.14Å; A149-R154 WeakPolarHBondContact O-CB 3.32Å; A149-R154 WeakPolarHBondContact O-CG 3.3Å; A149-R154 PolarHBondContact O-N 3.02Å; A149-P156 HydrophobicContact CB-CG 3.97Å |
| 150 | V | 97.8 | Very high | 98 | Very high | 14 Ų | 14 | 21.2 Ų | 21.2 | 9% | 0.085 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -71.3 | -34 | -179.6 | 178.5 | 0 | 0 | 0 | 0 | 112.4 | L146 N147 Y148 L152 G153 R154 P156 I179 E180 P182 | L146-V150 WeakPolarHBondContact O-CG2 3.26Å; L146-V150 PolarHBondContact O-N 3.02Å; N147-V150 PolarHBondContact O-N 2.97Å; Y148-V150 VanDerWaalsContact C-N 3.33Å; Y148-V150 PolarHBondContact O-N 3.26Å; V150-L152 PolarHBondContact O-N 3.29Å; V150-G153 WeakPolarHBondContact O-CA 3.25Å; V150-G153 PolarHBondContact O-N 2.93Å; V150-R154 WeakPolarHBondContact CA-O 3.18Å; V150-P156 HydrophobicContact CG2-CG 4.47Å; V150-I179 HydrophobicContact CG2-CB 4.23Å; V150-I179 HydrophobicContact CG2-CG2 3.67Å; V150-E180 WeakPolarHBondContact CG1-O 3.39Å; V150-P182 HydrophobicContact CG1-CG 4.34Å |
| 151 | R | 97.1 | Very high | 98.1 | Very high | 90 Ų | 90 | 18.9 Ų | 18.9 | 34% | 0.34 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -59.1 | -28.6 | 170.9 | -75.3 | 168.7 | 68.1 | -172.2 | -1.3 | 112.5 | E54 G57 E59 N147 Y148 G153 P182 | E54-R151 IonicContact OE2-CZ 3.13Å; E54-R151 IonicContact OE2-NH1 2.86Å; E54-R151 PolarHBondContact OE2-NH1 3.09Å; E54-R151 IonicContact OE2-NH2 3.55Å; G57-R151 VanDerWaalsContact O-CD 3.28Å; G57-R151 WeakPolarHBondContact O-CD 3.27Å; G57-R151 PolarHBondContact O-NH1 3.24Å; E59-R151 IonicContact OE1-CZ 2.68Å; E59-R151 IonicContact OE1-NE 2.61Å; E59-R151 PolarHBondContact OE1-NE 3.49Å; E59-R151 IonicContact OE1-NH2 3.32Å; E59-R151 PolarHBondContact OE1-NH2 3.47Å; N147-R151 WeakPolarHBondContact O-CG 3.19Å; N147-R151 PolarHBondContact O-N 3.33Å; Y148-R151 PolarHBondContact O-N 2.98Å; R151-G153 VanDerWaalsContact C-N 3.32Å; R151-P182 HydrophobicContact CG-CG 4.29Å |
| 152 | L | 97.3 | Very high | 98.1 | Very high | 90 Ų | 90 | 19.8 Ų | 19.8 | 47% | 0.471 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 13.8 | 172.5 | -61.5 | -175.9 | 0 | 0 | 0 | 113.9 | H108 E112 Y148 A149 V150 R154 | H108-L152 VanDerWaalsContact NE2-CD1 3.34Å; H108-L152 WeakPolarHBondContact NE2-CD1 3.45Å; E112-L152 HydrophobicContact CB-CD1 4.32Å; E112-L152 HydrophobicContact CG-CD1 3.8Å; Y148-L152 PolarHBondContact O-N 2.87Å; A149-L152 CarbonylContact O-C 3.6Å; A149-L152 PolarHBondContact O-N 2.97Å; V150-L152 PolarHBondContact O-N 3.29Å; L152-R154 VanDerWaalsContact C-N 3.29Å; L152-R154 PolarHBondContact O-N 2.99Å |
| 153 | G | 96.8 | Very high | 98 | Very high | 37 Ų | 37 | 19.9 Ų | 19.9 | 38% | 0.381 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 4.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A149 V150 R151 R231 | A149-G153 PolarHBondContact O-N 3.22Å; V150-G153 WeakPolarHBondContact O-CA 3.25Å; V150-G153 PolarHBondContact O-N 2.93Å; R151-G153 VanDerWaalsContact C-N 3.32Å; G153-R231 PolarHBondContact O-NH2 3.17Å |
| 154 | R | 97.7 | Very high | 98 | Very high | 24 Ų | 24 | 18 Ų | 18 | 9% | 0.091 | 9% | 0.092 | C | C | . | . | trans | -73 | 163.4 | 172.5 | -52.1 | -62.1 | -173.1 | -172.6 | -5.1 | 110.5 | E112 E119 A149 V150 L152 | E112-R154 IonicContact OE1-CZ 3.52Å; E112-R154 IonicContact OE1-NE 2.77Å; E112-R154 PolarHBondContact OE1-NE 3.33Å; E112-R154 IonicContact OE1-NH2 3.3Å; E112-R154 PolarHBondContact OE1-NH2 2.68Å; E112-R154 IonicContact OE2-CZ 3.49Å; E112-R154 IonicContact OE2-NE 3.38Å; E112-R154 PolarHBondContact OE2-NE 3.45Å; E112-R154 IonicContact OE2-NH2 2.79Å; E119-R154 IonicContact OE1-NH1 2.72Å; E119-R154 IonicContact OE2-CZ 3.6Å; E119-R154 IonicContact OE2-NH1 3.68Å; E119-R154 PolarHBondContact OE2-NH1 2.98Å; E119-R154 IonicContact OE2-NH2 3.73Å; E119-R154 PolarHBondContact OE2-NH2 3.04Å; A149-R154 HydrophobicContact CB-CB 4.14Å; A149-R154 WeakPolarHBondContact O-CB 3.32Å; A149-R154 WeakPolarHBondContact O-CG 3.3Å; A149-R154 PolarHBondContact O-N 3.02Å; V150-R154 WeakPolarHBondContact CA-O 3.18Å; L152-R154 VanDerWaalsContact C-N 3.29Å; L152-R154 PolarHBondContact O-N 2.99Å | ||
| 155 | R | 96.6 | Very high | 97.7 | Very high | 64 Ų | 64 | 19.6 Ų | 19.6 | 24% | 0.242 | 10% | 0.1 | C | C | . | . | trans | -135.6 | 68.9 | 177.8 | -63 | -170.7 | 173.4 | -156.6 | -10.2 | 111 | Y178 I179 E180 R231 S235 | R155-Y178 HydrophobicContact CB-CE1 4.35Å; R155-Y178 HydrophobicContact CB-CE2 3.74Å; R155-Y178 WeakPolarHBondContact CB-OH 3.12Å; R155-Y178 WeakPolarHBondContact CD-OH 3.42Å; R155-Y178 VanDerWaalsContact O-CE2 3.24Å; R155-Y178 WeakPolarHBondContact O-CE2 3.16Å; R155-I179 WeakPolarHBondContact CA-O 3.39Å; R155-E180 IonicContact CZ-OE1 3.59Å; R155-E180 VanDerWaalsContact CZ-OE1 3.25Å; R155-E180 IonicContact NH1-OE1 3.9Å; R155-E180 PolarHBondContact NH1-OE1 2.71Å; R155-E180 IonicContact NH2-OE1 3.83Å; R155-R231 HydrophobicContact CB-CG 4.41Å; R155-R231 HydrophobicContact CG-CG 4.39Å; R155-S235 PolarHBondContact N-OG 3.41Å; R155-S235 VanDerWaalsContact O-CB 3.24Å; R155-S235 WeakPolarHBondContact O-CB 3.45Å | ||
| 156 | P | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.104 | C | C | . | . | P | Polyproline II helix | trans | -70.7 | 155.1 | -178.3 | 31.3 | -36.2 | 0 | 0 | 0 | 111.5 | L146 A149 V150 I179 G236 | L146-P156 HydrophobicContact CD2-CB 3.88Å; L146-P156 HydrophobicContact CD2-CG 3.51Å; A149-P156 HydrophobicContact CB-CG 3.97Å; V150-P156 HydrophobicContact CG2-CG 4.47Å; P156-I179 PolarHBondContact O-N 3.47Å; P156-G236 WeakPolarHBondContact CA-O 3.5Å |
| 157 | T | 98.4 | Very high | 96.9 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.018 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 126.9 | 166.8 | -60 | 0 | 0 | 0 | 0 | 109.9 | V159 A176 F222 G236 C237 V238 | T157-V159 HydrophobicContact CG2-CG2 4.08Å; T157-A176 HydrophobicContact CG2-CB 3.86Å; T157-F222 HydrophobicContact CG2-CD2 4.06Å; T157-F222 HydrophobicContact CG2-CE2 4.25Å; T157-G236 PolarHBondContact N-O 3.33Å; T157-C237 CarbonylContact O-C 3.51Å; T157-C237 WeakPolarHBondContact O-CA 3.43Å; T157-C237 WeakPolarHBondContact O-CB 2.95Å; T157-V238 PolarHBondContact O-N 2.8Å |
| 158 | Y | 98.7 | Very high | 96.7 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.016 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 125.4 | 165.2 | -178.8 | -137.5 | 0 | 0 | 0 | 109.2 | C142 L146 E160 S167 V168 A176 L177 V238 N240 | C142-Y158 HydrophobicContact CB-CE2 3.8Å; L146-Y158 HydrophobicContact CD1-CD1 4.47Å; L146-Y158 HydrophobicContact CD1-CD2 3.5Å; L146-Y158 HydrophobicContact CD1-CE2 4.24Å; L146-Y158 HydrophobicContact CD1-CG 3.62Å; Y158-E160 HydrophobicContact CE1-CB 4.34Å; Y158-E160 PolarHBondContact OH-OE2 2.92Å; Y158-S167 WeakPolarHBondContact CE1-OG 3.43Å; Y158-V168 HydrophobicContact CD1-CG2 3.57Å; Y158-V168 HydrophobicContact CE1-CG2 3.68Å; Y158-A176 CarbonylContact O-C 3.5Å; Y158-A176 WeakPolarHBondContact O-CA 3.38Å; Y158-L177 PolarHBondContact N-O 2.86Å; Y158-L177 PolarHBondContact O-N 3.13Å; Y158-V238 WeakPolarHBondContact CD2-O 3.3Å; Y158-N240 HydrophobicContact CE2-CB 3.75Å; Y158-N240 VanDerWaalsContact OH-CB 3.31Å; Y158-N240 WeakPolarHBondContact OH-CB 3.11Å |
| 159 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 130.1 | 175.1 | 179.5 | 0 | 0 | 0 | 0 | 108.3 | T157 L161 A176 C237 V238 I239 N240 F260 | T157-V159 HydrophobicContact CG2-CG2 4.08Å; V159-L161 HydrophobicContact CG1-CD2 3.76Å; V159-L161 HydrophobicContact CG1-CG 4.12Å; V159-A176 HydrophobicContact CG2-CB 4.24Å; V159-C237 HydrophobicContact CG2-CB 4.34Å; V159-V238 PolarHBondContact N-O 2.69Å; V159-I239 HydrophobicContact CB-CB 4.24Å; V159-I239 HydrophobicContact CB-CG1 3.9Å; V159-I239 HydrophobicContact CB-CG2 4.18Å; V159-I239 HydrophobicContact CG1-CG1 4.39Å; V159-I239 HydrophobicContact CG1-CG2 4.05Å; V159-I239 HydrophobicContact CG2-CG1 4.21Å; V159-I239 CarbonylContact O-C 3.56Å; V159-I239 WeakPolarHBondContact O-CA 2.96Å; V159-N240 PolarHBondContact O-N 3.3Å; V159-F260 HydrophobicContact CG1-CE1 4.1Å; V159-F260 HydrophobicContact CG1-CE2 4.31Å; V159-F260 HydrophobicContact CG1-CZ 3.64Å; V159-F260 HydrophobicContact CG2-CE1 3.98Å; V159-F260 HydrophobicContact CG2-CZ 4.37Å |
| 160 | E | 98.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.019 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 109.4 | -177.9 | -177.8 | 64 | -89.6 | 0 | 0 | 109.7 | Y158 D162 G166 S167 V168 M174 G175 N240 | Y158-E160 HydrophobicContact CE1-CB 4.34Å; Y158-E160 PolarHBondContact OH-OE2 2.92Å; E160-D162 WeakPolarHBondContact OE1-CB 3.39Å; E160-D162 PolarHBondContact OE1-N 3.41Å; E160-D162 VanDerWaalsContact OE1-N 3.17Å; E160-G166 VanDerWaalsContact CD-CA 3.43Å; E160-G166 WeakPolarHBondContact OE2-CA 3.46Å; E160-S167 PolarHBondContact OE2-N 3.4Å; E160-S167 PolarHBondContact OE2-OG 3.47Å; E160-V168 HydrophobicContact CB-CB 4.05Å; E160-V168 HydrophobicContact CB-CG2 3.54Å; E160-V168 HydrophobicContact CG-CB 4.48Å; E160-V168 HydrophobicContact CG-CG2 4.27Å; E160-M174 WeakPolarHBondContact O-CA 3.28Å; E160-G175 PolarHBondContact N-O 2.96Å; E160-G175 PolarHBondContact O-N 2.94Å; E160-N240 PolarHBondContact OE1-ND2 3.05Å; E160-N240 PolarHBondContact OE2-ND2 3.32Å |
| 161 | L | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | trans | -105.4 | 1.4 | 176.8 | -49.7 | -179.7 | 0 | 0 | 0 | 112 | V159 V163 M174 Y211 T215 L218 I239 N240 A256 F260 | V159-L161 HydrophobicContact CG1-CD2 3.76Å; V159-L161 HydrophobicContact CG1-CG 4.12Å; L161-V163 PolarHBondContact O-N 3.13Å; L161-M174 HydrophobicContact CB-CE 3.97Å; L161-M174 HydrophobicContact CD2-CE 3.52Å; L161-M174 HydrophobicContact CG-CE 4.3Å; L161-Y211 WeakPolarHBondContact CB-OH 3.36Å; L161-Y211 VanDerWaalsContact O-CE2 3.26Å; L161-Y211 WeakPolarHBondContact O-CE2 3.38Å; L161-Y211 PolarHBondContact O-OH 3.16Å; L161-T215 HydrophobicContact CD1-CG2 4.17Å; L161-T215 HydrophobicContact CD2-CG2 4.47Å; L161-L218 HydrophobicContact CD2-CD1 4.02Å; L161-I239 HydrophobicContact CD1-CG2 3.54Å; L161-I239 HydrophobicContact CG-CG2 3.86Å; L161-N240 WeakPolarHBondContact CB-O 3.3Å; L161-N240 PolarHBondContact N-O 3.46Å; L161-A256 HydrophobicContact CD1-CB 3.9Å; L161-F260 HydrophobicContact CD1-CE2 4.41Å; L161-F260 HydrophobicContact CD2-CE2 4.38Å | ||
| 162 | D | 98.1 | Very high | 96.6 | Very high | 22 Ų | 22 | 17.6 Ų | 17.6 | 12% | 0.118 | 10% | 0.103 | C | C | . | . | trans | -83.4 | 98.9 | 173.4 | -166.9 | -27.5 | 0 | 0 | 0 | 111.5 | E160 G164 Q165 G166 C242 | E160-D162 WeakPolarHBondContact OE1-CB 3.39Å; E160-D162 PolarHBondContact OE1-N 3.41Å; E160-D162 VanDerWaalsContact OE1-N 3.17Å; D162-G164 PolarHBondContact O-N 2.84Å; D162-G164 WeakPolarHBondContact OD1-CA 3.36Å; D162-G164 PolarHBondContact OD1-N 2.93Å; D162-Q165 PolarHBondContact OD1-N 3.4Å; D162-G166 VanDerWaalsContact O-CA 3.29Å; D162-G166 WeakPolarHBondContact O-CA 3.4Å; D162-G166 PolarHBondContact O-N 3.06Å; D162-C242 HydrophobicContact CB-CB 4.41Å | ||
| 163 | V | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -13 | 177.1 | -62.7 | 0 | 0 | 0 | 0 | 113.8 | L161 G172 M174 F199 P204 Y211 | L161-V163 PolarHBondContact O-N 3.13Å; V163-G172 PolarHBondContact O-N 3.33Å; V163-M174 HydrophobicContact CG1-CG 3.42Å; V163-M174 VanDerWaalsContact CG1-CG 3.42Å; V163-M174 HydrophobicContact CG1-SD 4.07Å; V163-F199 HydrophobicContact CB-CD1 3.78Å; V163-F199 HydrophobicContact CB-CE1 4.28Å; V163-F199 HydrophobicContact CG1-CB 4Å; V163-F199 HydrophobicContact CG1-CD1 3.54Å; V163-F199 HydrophobicContact CG1-CE1 4.23Å; V163-F199 HydrophobicContact CG1-CG 3.85Å; V163-F199 HydrophobicContact CG2-CD1 3.93Å; V163-F199 HydrophobicContact CG2-CE1 3.9Å; V163-P204 HydrophobicContact CG2-CG 3.9Å; V163-Y211 HydrophobicContact CG1-CD2 4.14Å; V163-Y211 HydrophobicContact CG1-CE2 3.98Å |
| 164 | G | 96.3 | Very high | 96.7 | Very high | 7 Ų | 7 | 12 Ų | 12 | 7% | 0.072 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -37.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D162 T202 R308 | D162-G164 PolarHBondContact O-N 2.84Å; D162-G164 WeakPolarHBondContact OD1-CA 3.36Å; D162-G164 PolarHBondContact OD1-N 2.93Å; G164-T202 VanDerWaalsContact CA-O 3.3Å; G164-T202 WeakPolarHBondContact CA-O 3.37Å; G164-R308 VanDerWaalsContact O-CD 3.3Å; G164-R308 WeakPolarHBondContact O-CD 3.36Å; G164-R308 VanDerWaalsContact O-CG 3.31Å; G164-R308 WeakPolarHBondContact O-CG 3.47Å |
| 165 | Q | 93.1 | Very high | 96.7 | Very high | 38 Ų | 38 | 11 Ų | 11 | 18% | 0.178 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.8 | 20 | -173.8 | -63.3 | -69.5 | -71.1 | 0 | 0 | 113.2 | D162 R304 | D162-Q165 PolarHBondContact OD1-N 3.4Å; Q165-R304 PolarHBondContact NE2-O 3Å |
| 166 | G | 90.2 | Very high | 96.8 | Very high | 10 Ų | 10 | 8.4 Ų | 8.4 | 10% | 0.103 | 5% | 0.054 | C | C | . | . | trans | -58.5 | 153.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E160 D162 | E160-G166 VanDerWaalsContact CD-CA 3.43Å; E160-G166 WeakPolarHBondContact OE2-CA 3.46Å; D162-G166 VanDerWaalsContact O-CA 3.29Å; D162-G166 WeakPolarHBondContact O-CA 3.4Å; D162-G166 PolarHBondContact O-N 3.06Å | ||
| 167 | S | 89.6 | Confident | 96.8 | Very high | 40 Ų | 40 | 8.6 Ų | 8.6 | 28% | 0.28 | 6% | 0.055 | S | C | . | . | S | Bend | trans | -110.2 | -6 | -176.2 | 54.8 | 0 | 0 | 0 | 0 | 114.8 | Y158 E160 | Y158-S167 WeakPolarHBondContact CE1-OG 3.43Å; E160-S167 PolarHBondContact OE2-N 3.4Å; E160-S167 PolarHBondContact OE2-OG 3.47Å |
| 168 | V | 94.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 9.8 Ų | 9.8 | 2% | 0.024 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -78.9 | -30.6 | -179.7 | 171.6 | 0 | 0 | 0 | 0 | 112.3 | Y158 E160 L177 P194 V196 | Y158-V168 HydrophobicContact CD1-CG2 3.57Å; Y158-V168 HydrophobicContact CE1-CG2 3.68Å; E160-V168 HydrophobicContact CB-CB 4.05Å; E160-V168 HydrophobicContact CB-CG2 3.54Å; E160-V168 HydrophobicContact CG-CB 4.48Å; E160-V168 HydrophobicContact CG-CG2 4.27Å; V168-L177 HydrophobicContact CG1-CB 4.32Å; V168-L177 HydrophobicContact CG2-CB 4.2Å; V168-P194 HydrophobicContact CG1-CB 3.93Å; V168-V196 HydrophobicContact CG1-CG2 4.5Å |
| 169 | S | 96.1 | Very high | 96.6 | Very high | 14 Ų | 14 | 9.8 Ų | 9.8 | 10% | 0.098 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -156.7 | -165.8 | -178.5 | -162 | 0 | 0 | 0 | 0 | 110.3 | F397 | S169-F397 WeakPolarHBondContact OG-CE2 3.48Š|
| 170 | I | 97.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -67.7 | 159 | 177.6 | 64.6 | 160.7 | 0 | 0 | 0 | 111.7 | T173 I312 Y315 L376 F397 M428 | I170-T173 HydrophobicContact CG1-CG2 3.83Å; I170-T173 WeakPolarHBondContact O-CB 3.42Å; I170-T173 WeakPolarHBondContact O-CG2 3.37Å; I170-T173 PolarHBondContact O-OG1 3.33Å; I170-I312 HydrophobicContact CB-CG1 4.33Å; I170-I312 HydrophobicContact CG2-CG1 4.43Å; I170-Y315 HydrophobicContact CG2-CD1 4.15Å; I170-Y315 HydrophobicContact CG2-CD2 4.03Å; I170-Y315 HydrophobicContact CG2-CG 3.62Å; I170-L376 HydrophobicContact CD1-CD1 4Å; I170-F397 HydrophobicContact CD1-CB 3.92Å; I170-F397 HydrophobicContact CD1-CD1 3.38Å; I170-F397 HydrophobicContact CD1-CD2 3.78Å; I170-F397 HydrophobicContact CD1-CE1 3.77Å; I170-F397 HydrophobicContact CD1-CE2 4.17Å; I170-F397 HydrophobicContact CD1-CG 3.39Å; I170-F397 HydrophobicContact CD1-CZ 4.16Å; I170-F397 HydrophobicContact CG1-CD1 4.02Å; I170-F397 HydrophobicContact CG1-CD2 3.79Å; I170-F397 HydrophobicContact CG1-CE1 3.96Å; I170-F397 HydrophobicContact CG1-CE2 3.77Å; I170-F397 HydrophobicContact CG1-CG 3.93Å; I170-F397 HydrophobicContact CG1-CZ 3.85Å; I170-M428 HydrophobicContact CD1-CE 4.18Å; I170-M428 HydrophobicContact CD1-SD 3.88Å |
| 171 | P | 98.1 | Very high | 96.3 | Very high | 5 Ų | 5 | 22.6 Ų | 22.6 | 3% | 0.032 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 152.4 | 173.4 | -21.2 | 33.5 | 0 | 0 | 0 | 111.8 | T202 R308 I312 M428 I430 | P171-T202 HydrophobicContact CB-CG2 4.37Å; P171-R308 HydrophobicContact CB-CB 4.32Å; P171-R308 HydrophobicContact CB-CG 3.85Å; P171-R308 HydrophobicContact CG-CB 3.62Å; P171-R308 HydrophobicContact CG-CG 3.5Å; P171-I312 HydrophobicContact CG-CG1 4.43Å; P171-M428 VanDerWaalsContact O-CE 3.3Å; P171-M428 WeakPolarHBondContact O-CE 3.46Å; P171-I430 HydrophobicContact CB-CD1 4.1Å; P171-I430 WeakPolarHBondContact O-CD1 3.23Å |
| 172 | G | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 19.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | V163 F199 G200 S201 M428 | V163-G172 PolarHBondContact O-N 3.33Å; G172-F199 CarbonylContact O-C 3.24Å; G172-F199 WeakPolarHBondContact O-CA 3.43Å; G172-F199 WeakPolarHBondContact O-CB 3.47Å; G172-F199 PolarHBondContact O-N 3.49Å; G172-G200 PolarHBondContact O-N 3.39Å; G172-S201 VanDerWaalsContact CA-O 3.32Å; G172-S201 WeakPolarHBondContact CA-O 3.46Å; G172-M428 WeakPolarHBondContact O-CE 3.31Å |
| 173 | T | 98.4 | Very high | 96.2 | Very high | 9 Ų | 9 | 24.2 Ų | 24.2 | 6% | 0.055 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 158.1 | -179 | 69.9 | 0 | 0 | 0 | 0 | 111.1 | I170 V196 Y197 F397 M428 | I170-T173 HydrophobicContact CG1-CG2 3.83Å; I170-T173 WeakPolarHBondContact O-CB 3.42Å; I170-T173 WeakPolarHBondContact O-CG2 3.37Å; I170-T173 PolarHBondContact O-OG1 3.33Å; T173-V196 HydrophobicContact CG2-CG1 3.97Å; T173-Y197 WeakPolarHBondContact CA-O 3.46Å; T173-Y197 WeakPolarHBondContact CB-O 3.13Å; T173-F397 HydrophobicContact CG2-CE1 3.7Å; T173-F397 HydrophobicContact CG2-CE2 4.33Å; T173-F397 HydrophobicContact CG2-CZ 3.38Å; T173-M428 HydrophobicContact CG2-CE 4.15Å |
| 174 | M | 98.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 144.3 | 168.9 | -55.9 | 173.1 | 68.3 | 0 | 0 | 107.2 | E160 L161 V163 Y197 Y211 I214 T215 L218 | E160-M174 WeakPolarHBondContact O-CA 3.28Å; L161-M174 HydrophobicContact CB-CE 3.97Å; L161-M174 HydrophobicContact CD2-CE 3.52Å; L161-M174 HydrophobicContact CG-CE 4.3Å; V163-M174 HydrophobicContact CG1-CG 3.42Å; V163-M174 VanDerWaalsContact CG1-CG 3.42Å; V163-M174 HydrophobicContact CG1-SD 4.07Å; M174-Y197 PolarHBondContact N-O 2.9Å; M174-Y197 PolarHBondContact O-N 3.21Å; M174-Y211 HydrophobicContact CE-CD2 3.8Å; M174-Y211 HydrophobicContact CE-CE1 4.28Å; M174-Y211 HydrophobicContact CE-CE2 3.48Å; M174-Y211 VanDerWaalsContact CE-CE2 3.48Å; M174-Y211 HydrophobicContact CE-CG 4.33Å; M174-Y211 HydrophobicContact CG-CE2 4.44Å; M174-Y211 HydrophobicContact SD-CD2 3.46Å; M174-Y211 WeakPolarHBondContact SD-CD2 3.44Å; M174-Y211 HydrophobicContact SD-CE2 3.63Å; M174-Y211 HydrophobicContact SD-CG 4.2Å; M174-I214 HydrophobicContact CB-CG2 3.86Å; M174-I214 HydrophobicContact CE-CG2 4.41Å; M174-I214 HydrophobicContact CG-CG2 4.26Å; M174-I214 HydrophobicContact SD-CB 3.93Å; M174-I214 HydrophobicContact SD-CD1 4.42Å; M174-I214 HydrophobicContact SD-CG2 3.69Å; M174-T215 VanDerWaalsContact CE-OG1 3.24Å; M174-T215 WeakPolarHBondContact CE-OG1 3.31Å; M174-L218 HydrophobicContact CB-CD1 3.75Å |
| 175 | G | 98 | Very high | 96 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | -179.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | E160 L195 | E160-G175 PolarHBondContact N-O 2.96Å; E160-G175 PolarHBondContact O-N 2.94Å; G175-L195 CarbonylContact C-O 3.54Å; G175-L195 WeakPolarHBondContact CA-O 3.06Å |
| 176 | A | 98.3 | Very high | 96 | Very high | 10 Ų | 10 | 27.2 Ų | 27.2 | 8% | 0.083 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 144.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | T157 Y158 V159 L195 L218 | T157-A176 HydrophobicContact CG2-CB 3.86Å; Y158-A176 CarbonylContact O-C 3.5Å; Y158-A176 WeakPolarHBondContact O-CA 3.38Å; V159-A176 HydrophobicContact CG2-CB 4.24Å; A176-L195 HydrophobicContact CB-CB 4.49Å; A176-L195 PolarHBondContact N-O 3.33Å; A176-L195 PolarHBondContact O-N 2.86Å; A176-L218 HydrophobicContact CB-CD2 4.34Å |
| 177 | L | 97.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 132.9 | 179.4 | -176.3 | 66.3 | 0 | 0 | 0 | 109.9 | Y158 V168 I179 F189 P194 | Y158-L177 PolarHBondContact N-O 2.86Å; Y158-L177 PolarHBondContact O-N 3.13Å; V168-L177 HydrophobicContact CG1-CB 4.32Å; V168-L177 HydrophobicContact CG2-CB 4.2Å; L177-I179 HydrophobicContact CB-CD1 4.14Å; L177-I179 HydrophobicContact CD2-CD1 3.72Å; L177-I179 HydrophobicContact CG-CD1 3.76Å; L177-F189 HydrophobicContact CD2-CB 3.82Å; L177-P194 HydrophobicContact CD1-CB 4.2Å |
| 178 | Y | 96.3 | Very high | 96.3 | Very high | 29 Ų | 29 | 30.5 Ų | 30.5 | 11% | 0.114 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 118.6 | 176.7 | -175.9 | -119.5 | 0 | 0 | 0 | 110.4 | R155 E180 R225 A232 | R155-Y178 HydrophobicContact CB-CE1 4.35Å; R155-Y178 HydrophobicContact CB-CE2 3.74Å; R155-Y178 WeakPolarHBondContact CB-OH 3.12Å; R155-Y178 WeakPolarHBondContact CD-OH 3.42Å; R155-Y178 VanDerWaalsContact O-CE2 3.24Å; R155-Y178 WeakPolarHBondContact O-CE2 3.16Å; Y178-E180 HydrophobicContact CD1-CG 3.48Å; Y178-E180 VanDerWaalsContact CD1-CG 3.48Å; Y178-E180 HydrophobicContact CE1-CG 3.49Å; Y178-E180 VanDerWaalsContact CE1-CG 3.49Å; Y178-R225 VanDerWaalsContact CD1-NH2 3.29Å; Y178-A232 HydrophobicContact CD2-CB 4.46Å; Y178-A232 HydrophobicContact CE2-CB 3.67Å |
| 179 | I | 97.3 | Very high | 96.4 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | trans | -95.8 | 110.8 | -172.3 | -46.9 | -55.6 | 0 | 0 | 0 | 109.9 | L146 V150 R155 P156 L177 R181 F189 | L146-I179 HydrophobicContact CD1-CG1 4.37Å; L146-I179 HydrophobicContact CD2-CG1 4.07Å; V150-I179 HydrophobicContact CG2-CB 4.23Å; V150-I179 HydrophobicContact CG2-CG2 3.67Å; R155-I179 WeakPolarHBondContact CA-O 3.39Å; P156-I179 PolarHBondContact O-N 3.47Å; L177-I179 HydrophobicContact CB-CD1 4.14Å; L177-I179 HydrophobicContact CD2-CD1 3.72Å; L177-I179 HydrophobicContact CG-CD1 3.76Å; I179-R181 WeakPolarHBondContact CG2-O 3.42Å; I179-F189 HydrophobicContact CD1-CB 4.16Å; I179-F189 HydrophobicContact CD1-CD1 3.96Å; I179-F189 HydrophobicContact CD1-CD2 4.21Å; I179-F189 HydrophobicContact CD1-CE1 4.43Å; I179-F189 HydrophobicContact CD1-CG 3.85Å; I179-F189 HydrophobicContact CG2-CD1 3.63Å; I179-F189 HydrophobicContact CG2-CE1 3.53Å; I179-F189 HydrophobicContact CG2-CZ 4.4Å | ||
| 180 | E | 94.6 | Very high | 96.2 | Very high | 77 Ų | 77 | 35 Ų | 35 | 36% | 0.36 | 18% | 0.176 | S | C | . | . | trans | -104.3 | -22 | -179.5 | -64.3 | -172.8 | 79.5 | 0 | 0 | 113.9 | V150 R155 Y178 | V150-E180 WeakPolarHBondContact CG1-O 3.39Å; R155-E180 IonicContact CZ-OE1 3.59Å; R155-E180 VanDerWaalsContact CZ-OE1 3.25Å; R155-E180 IonicContact NH1-OE1 3.9Å; R155-E180 PolarHBondContact NH1-OE1 2.71Å; R155-E180 IonicContact NH2-OE1 3.83Å; Y178-E180 HydrophobicContact CD1-CG 3.48Å; Y178-E180 VanDerWaalsContact CD1-CG 3.48Å; Y178-E180 HydrophobicContact CE1-CG 3.49Å; Y178-E180 VanDerWaalsContact CE1-CG 3.49Å | ||
| 181 | R | 95.9 | Very high | 95.9 | Very high | 195 Ų | 195 | 38.8 Ų | 38.8 | 74% | 0.736 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -138.2 | 153.9 | -177.2 | -59.5 | -176.7 | -165 | 179.5 | 4.5 | 109.5 | I179 | I179-R181 WeakPolarHBondContact CG2-O 3.42Š|
| 182 | P | 96.3 | Very high | 95.5 | Very high | 57 Ų | 57 | 44.4 Ų | 44.4 | 37% | 0.37 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -54.8 | 149.1 | 171 | -23.1 | 34.9 | 0 | 0 | 0 | 110.6 | N147 V150 R151 D184 | N147-P182 VanDerWaalsContact OD1-CA 3.24Å; N147-P182 WeakPolarHBondContact OD1-CA 3.41Å; V150-P182 HydrophobicContact CG1-CG 4.34Å; R151-P182 HydrophobicContact CG-CG 4.29Å; P182-D184 PolarHBondContact O-N 2.9Å |
| 183 | A | 96.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 137.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | T58 R143 N147 G188 F189 | T58-A183 WeakPolarHBondContact CB-O 3.21Å; T58-A183 WeakPolarHBondContact CG2-O 3.41Å; T58-A183 PolarHBondContact OG1-O 3.15Å; R143-A183 HydrophobicContact CG-CB 4.43Å; N147-A183 PolarHBondContact OD1-N 2.61Å; A183-G188 CarbonylContact C-O 3.52Å; A183-G188 WeakPolarHBondContact CA-O 3.46Å; A183-F189 HydrophobicContact CB-CD1 3.65Å; A183-F189 HydrophobicContact CB-CE1 3.66Å; A183-F189 HydrophobicContact CB-CG 4.09Å; A183-F189 HydrophobicContact CB-CZ 4.11Å |
| 184 | D | 96.2 | Very high | 95.1 | Very high | 54 Ų | 54 | 50.7 Ų | 50.7 | 29% | 0.289 | 27% | 0.271 | S | S | . | . | B | Isolated β-bridge | trans | -61.2 | 145.7 | 163.9 | -177 | -90.7 | 0 | 0 | 0 | 109.6 | R143 P182 E186 E187 G188 | R143-D184 PolarHBondContact NH2-O 3.49Å; P182-D184 PolarHBondContact O-N 2.9Å; D184-E186 VanDerWaalsContact C-N 3.34Å; D184-E186 PolarHBondContact O-N 3.05Å; D184-E186 WeakPolarHBondContact OD1-CA 3.38Å; D184-E186 PolarHBondContact OD1-N 3.27Å; D184-E187 HydrophobicContact CB-CB 4.12Å; D184-E187 PolarHBondContact OD1-N 2.95Å; D184-G188 PolarHBondContact N-O 3.49Å; D184-G188 WeakPolarHBondContact O-CA 3.48Å; D184-G188 PolarHBondContact O-N 3.28Å |
| 185 | V | 95.1 | Very high | 95.1 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 5% | 0.048 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -42.2 | -175.5 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | I55 T58 L60 F66 F68 | I55-V185 HydrophobicContact CD1-CG1 3.69Å; T58-V185 HydrophobicContact CG2-CG2 3.73Å; L60-V185 HydrophobicContact CD2-CG1 4.25Å; L60-V185 HydrophobicContact CD2-CG2 3.64Å; F66-V185 HydrophobicContact CB-CG1 4.11Å; F66-V185 HydrophobicContact CD1-CB 3.56Å; F66-V185 HydrophobicContact CD1-CG1 3.68Å; F66-V185 HydrophobicContact CD1-CG2 4.01Å; F66-V185 HydrophobicContact CE1-CB 3.68Å; F66-V185 HydrophobicContact CE1-CG1 4.19Å; F66-V185 HydrophobicContact CE1-CG2 3.63Å; F66-V185 HydrophobicContact CG-CB 4.28Å; F66-V185 HydrophobicContact CG-CG1 3.9Å; F66-V185 HydrophobicContact CZ-CG2 4.07Å; F68-V185 HydrophobicContact CE1-CG1 4.14Å; F68-V185 HydrophobicContact CZ-CG1 3.57Å |
| 186 | E | 93.2 | Very high | 95.1 | Very high | 47 Ų | 47 | 52.8 Ų | 52.8 | 22% | 0.22 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -48.7 | -177.6 | -63.7 | 173.7 | 97.4 | 0 | 0 | 110.6 | F66 T67 D184 F319 R320 | F66-E186 HydrophobicContact CB-CG 4.31Å; F66-E186 HydrophobicContact CD1-CG 4.41Å; T67-E186 WeakPolarHBondContact CA-OE1 3.24Å; T67-E186 WeakPolarHBondContact CB-OE1 3.05Å; T67-E186 PolarHBondContact N-OE1 2.79Å; D184-E186 VanDerWaalsContact C-N 3.34Å; D184-E186 PolarHBondContact O-N 3.05Å; D184-E186 WeakPolarHBondContact OD1-CA 3.38Å; D184-E186 PolarHBondContact OD1-N 3.27Å; E186-F319 HydrophobicContact CB-CE1 4.26Å; E186-F319 HydrophobicContact CB-CZ 3.77Å; E186-R320 IonicContact OE1-CZ 3.13Å; E186-R320 VanDerWaalsContact OE1-CZ 3.32Å; E186-R320 IonicContact OE1-NH1 2.99Å; E186-R320 PolarHBondContact OE1-NH1 2.92Å; E186-R320 IonicContact OE1-NH2 2.71Å; E186-R320 PolarHBondContact OE1-NH2 3.4Å |
| 187 | E | 91.7 | Very high | 95.1 | Very high | 109 Ų | 109 | 52.6 Ų | 52.6 | 51% | 0.509 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -25.2 | -170.2 | -56.8 | -176.1 | -166.1 | 0 | 0 | 114 | D184 F319 | D184-E187 HydrophobicContact CB-CB 4.12Å; D184-E187 PolarHBondContact OD1-N 2.95Å; E187-F319 HydrophobicContact CG-CB 4.13Å; E187-F319 HydrophobicContact CG-CD1 3.44Å; E187-F319 VanDerWaalsContact CG-CD1 3.44Å; E187-F319 HydrophobicContact CG-CD2 4.04Å; E187-F319 HydrophobicContact CG-CE1 3.74Å; E187-F319 HydrophobicContact CG-CE2 4.32Å; E187-F319 HydrophobicContact CG-CG 3.6Å; E187-F319 HydrophobicContact CG-CZ 4.19Å; E187-F319 WeakPolarHBondContact OE1-CD1 3.33Å |
| 188 | G | 94.2 | Very high | 95.1 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | 85.9 | -151.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A183 D184 | A183-G188 CarbonylContact C-O 3.52Å; A183-G188 WeakPolarHBondContact CA-O 3.46Å; D184-G188 PolarHBondContact N-O 3.49Å; D184-G188 WeakPolarHBondContact O-CA 3.48Å; D184-G188 PolarHBondContact O-N 3.28Å |
| 189 | F | 95.4 | Very high | 95.2 | Very high | 30 Ų | 30 | 51.7 Ų | 51.7 | 13% | 0.132 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -72.1 | 137.6 | -178.7 | -68.1 | -63.5 | 0 | 0 | 0 | 111.3 | R143 L146 N147 L177 I179 A183 I191 | R143-F189 HydrophobicContact CB-CE2 4.22Å; R143-F189 HydrophobicContact CB-CZ 4.47Å; R143-F189 HydrophobicContact CG-CE2 4Å; R143-F189 HydrophobicContact CG-CZ 4.02Å; L146-F189 HydrophobicContact CB-CE1 4.31Å; L146-F189 HydrophobicContact CB-CE2 4.36Å; L146-F189 HydrophobicContact CB-CZ 3.63Å; L146-F189 HydrophobicContact CD1-CE2 3.71Å; L146-F189 HydrophobicContact CD1-CZ 3.84Å; L146-F189 HydrophobicContact CG-CZ 4.42Å; N147-F189 WeakPolarHBondContact OD1-CE1 2.78Å; L177-F189 HydrophobicContact CD2-CB 3.82Å; I179-F189 HydrophobicContact CD1-CB 4.16Å; I179-F189 HydrophobicContact CD1-CD1 3.96Å; I179-F189 HydrophobicContact CD1-CD2 4.21Å; I179-F189 HydrophobicContact CD1-CE1 4.43Å; I179-F189 HydrophobicContact CD1-CG 3.85Å; I179-F189 HydrophobicContact CG2-CD1 3.63Å; I179-F189 HydrophobicContact CG2-CE1 3.53Å; I179-F189 HydrophobicContact CG2-CZ 4.4Å; A183-F189 HydrophobicContact CB-CD1 3.65Å; A183-F189 HydrophobicContact CB-CE1 3.66Å; A183-F189 HydrophobicContact CB-CG 4.09Å; A183-F189 HydrophobicContact CB-CZ 4.11Å; F189-I191 PolarHBondContact O-N 3.4Å |
| 190 | S | 92.9 | Very high | 95.1 | Very high | 81 Ų | 81 | 51.8 Ų | 51.8 | 57% | 0.566 | 28% | 0.277 | S | S | * | . | trans | -64.2 | 117.9 | 173.7 | -170.6 | 0 | 0 | 0 | 0 | 110.4 | Q192 | S190-Q192 PolarHBondContact O-N 2.95Å; S190-Q192 PolarHBondContact OG-NE2 2.83Å | ||
| 191 | I | 91.8 | Very high | 95.2 | Very high | 82 Ų | 82 | 48.6 Ų | 48.6 | 42% | 0.421 | 26% | 0.263 | S | S | . | . | trans | -83.4 | 81.2 | -177.7 | -53.8 | 178.3 | 0 | 0 | 0 | 109 | F189 P194 | F189-I191 PolarHBondContact O-N 3.4Å; I191-P194 HydrophobicContact CG2-CB 4.09Å; I191-P194 HydrophobicContact CG2-CG 3.6Å | ||
| 192 | Q | 89.4 | Confident | 95.2 | Very high | 123 Ų | 123 | 41.9 Ų | 41.9 | 58% | 0.575 | 24% | 0.244 | S | C | * | . | trans | -105.5 | 116.8 | 176.9 | -65.1 | -174.7 | -5.3 | 0 | 0 | 110.6 | S190 | S190-Q192 PolarHBondContact O-N 2.95Å; S190-Q192 PolarHBondContact OG-NE2 2.83Å | ||
| 193 | A | 91.4 | Very high | 95.2 | Very high | 98 Ų | 98 | 42.3 Ų | 42.3 | 81% | 0.81 | 25% | 0.245 | S | C | * | . | S | Bend | trans | 45.7 | 56.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 194 | P | 96.3 | Very high | 95.1 | Very high | 43 Ų | 43 | 42.6 Ų | 42.6 | 28% | 0.279 | 25% | 0.247 | S | C | . | . | trans | -65.4 | 147.2 | 176.8 | 32.2 | -37.3 | 0 | 0 | 0 | 110.6 | V168 L177 I191 V196 | V168-P194 HydrophobicContact CG1-CB 3.93Å; L177-P194 HydrophobicContact CD1-CB 4.2Å; I191-P194 HydrophobicContact CG2-CB 4.09Å; I191-P194 HydrophobicContact CG2-CG 3.6Å; P194-V196 HydrophobicContact CB-CG2 3.84Å; P194-V196 HydrophobicContact CG-CG2 3.94Å | ||
| 195 | L | 97.6 | Very high | 94.9 | Very high | 41 Ų | 41 | 42.1 Ų | 42.1 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 118.1 | 165.6 | 177 | 64.1 | 0 | 0 | 0 | 107.9 | G175 A176 Y197 L218 V221 | G175-L195 CarbonylContact C-O 3.54Å; G175-L195 WeakPolarHBondContact CA-O 3.06Å; A176-L195 HydrophobicContact CB-CB 4.49Å; A176-L195 PolarHBondContact N-O 3.33Å; A176-L195 PolarHBondContact O-N 2.86Å; L195-Y197 HydrophobicContact CD1-CE2 3.85Å; L195-Y197 HydrophobicContact CD2-CE2 3.91Å; L195-Y197 HydrophobicContact CG-CD2 4.44Å; L195-Y197 HydrophobicContact CG-CE2 3.69Å; L195-L218 HydrophobicContact CD2-CD2 3.89Å; L195-L218 HydrophobicContact CG-CD2 4.19Å; L195-V221 HydrophobicContact CD2-CB 3.95Å; L195-V221 HydrophobicContact CD2-CG1 3.47Å; L195-V221 VanDerWaalsContact CD2-CG1 3.47Å |
| 196 | V | 98.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.03 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 139.6 | -175.3 | -173.5 | 0 | 0 | 0 | 0 | 110.2 | V168 T173 P194 S393 V394 F397 | V168-V196 HydrophobicContact CG1-CG2 4.5Å; T173-V196 HydrophobicContact CG2-CG1 3.97Å; P194-V196 HydrophobicContact CB-CG2 3.84Å; P194-V196 HydrophobicContact CG-CG2 3.94Å; V196-S393 CarbonylContact O-C 3.54Å; V196-S393 VanDerWaalsContact O-CA 3.23Å; V196-S393 WeakPolarHBondContact O-CA 3.38Å; V196-S393 WeakPolarHBondContact O-CB 3.27Å; V196-V394 HydrophobicContact CB-CG2 3.86Å; V196-V394 HydrophobicContact CG1-CG2 3.83Å; V196-V394 PolarHBondContact O-N 3.3Å; V196-F397 HydrophobicContact CG1-CE2 4.33Å; V196-F397 HydrophobicContact CG1-CZ 3.89Å |
| 197 | Y | 98.4 | Very high | 94.9 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 2% | 0.024 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 143.9 | 175.3 | -69.7 | -85.5 | 0 | 0 | 0 | 111.1 | T173 M174 L195 F199 I214 R217 L218 E391 T392 | T173-Y197 WeakPolarHBondContact CA-O 3.46Å; T173-Y197 WeakPolarHBondContact CB-O 3.13Å; M174-Y197 PolarHBondContact N-O 2.9Å; M174-Y197 PolarHBondContact O-N 3.21Å; L195-Y197 HydrophobicContact CD1-CE2 3.85Å; L195-Y197 HydrophobicContact CD2-CE2 3.91Å; L195-Y197 HydrophobicContact CG-CD2 4.44Å; L195-Y197 HydrophobicContact CG-CE2 3.69Å; Y197-F199 PolarHBondContact O-N 3.24Å; Y197-I214 HydrophobicContact CD2-CG2 4.28Å; Y197-I214 HydrophobicContact CG-CG2 3.93Å; Y197-R217 HydrophobicContact CE1-CG 3.88Å; Y197-L218 HydrophobicContact CD2-CD1 4.3Å; Y197-L218 HydrophobicContact CD2-CD2 3.6Å; Y197-L218 HydrophobicContact CD2-CG 3.64Å; Y197-L218 HydrophobicContact CE2-CD2 3.52Å; Y197-L218 HydrophobicContact CE2-CG 3.74Å; Y197-E391 VanDerWaalsContact CE1-O 3.25Å; Y197-E391 WeakPolarHBondContact CE1-O 3.44Å; Y197-T392 WeakPolarHBondContact CD1-O 3.48Å |
| 198 | H | 97.9 | Very high | 95.1 | Very high | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.028 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 123 | 173.2 | 172.5 | 94.4 | 0 | 0 | 0 | 110.5 | I214 S378 V394 L426 I427 | H198-I214 WeakPolarHBondContact O-CD1 3.42Å; H198-S378 PolarHBondContact ND1-OG 3.44Å; H198-V394 HydrophobicContact CB-CG1 4.05Å; H198-L426 HydrophobicContact CB-CB 4.47Å; H198-L426 HydrophobicContact CB-CD1 3.58Å; H198-I427 PolarHBondContact CE1-O 2.9Å |
| 199 | F | 97.9 | Very high | 95 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 4% | 0.039 | 26% | 0.261 | C | S | . | . | trans | -110.2 | -35.1 | 162.8 | 174.7 | -105.7 | 0 | 0 | 0 | 111.8 | V163 G172 Y197 S201 T203 N207 L210 Y211 I214 | V163-F199 HydrophobicContact CB-CD1 3.78Å; V163-F199 HydrophobicContact CB-CE1 4.28Å; V163-F199 HydrophobicContact CG1-CB 4Å; V163-F199 HydrophobicContact CG1-CD1 3.54Å; V163-F199 HydrophobicContact CG1-CE1 4.23Å; V163-F199 HydrophobicContact CG1-CG 3.85Å; V163-F199 HydrophobicContact CG2-CD1 3.93Å; V163-F199 HydrophobicContact CG2-CE1 3.9Å; G172-F199 CarbonylContact O-C 3.24Å; G172-F199 WeakPolarHBondContact O-CA 3.43Å; G172-F199 WeakPolarHBondContact O-CB 3.47Å; G172-F199 PolarHBondContact O-N 3.49Å; Y197-F199 PolarHBondContact O-N 3.24Å; F199-S201 WeakPolarHBondContact CD1-O 3.11Å; F199-S201 WeakPolarHBondContact CE1-O 3.26Å; F199-S201 PolarHBondContact O-N 2.92Å; F199-T203 VanDerWaalsContact CE1-O 3.27Å; F199-T203 WeakPolarHBondContact CE1-O 3.3Å; F199-T203 WeakPolarHBondContact CZ-O 2.84Å; F199-N207 HydrophobicContact CE2-CB 4.27Å; F199-N207 WeakPolarHBondContact CE2-O 3.45Å; F199-L210 HydrophobicContact CD2-CB 4.49Å; F199-L210 HydrophobicContact CD2-CD2 4Å; F199-L210 HydrophobicContact CD2-CG 4.06Å; F199-L210 HydrophobicContact CE2-CB 4.39Å; F199-L210 HydrophobicContact CE2-CD2 4.38Å; F199-L210 HydrophobicContact CE2-CG 4.44Å; F199-Y211 HydrophobicContact CE2-CD2 4.43Å; F199-I214 HydrophobicContact CB-CD1 4.01Å; F199-I214 HydrophobicContact CD2-CD1 4.17Å | ||
| 200 | G | 96.4 | Very high | 95 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | trans | 87.8 | -9.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | G172 D429 | G172-G200 PolarHBondContact O-N 3.39Å; G200-D429 PolarHBondContact O-N 3.37Å | ||
| 201 | S | 96.5 | Very high | 95.3 | Very high | 11 Ų | 11 | 37.9 Ų | 37.9 | 8% | 0.077 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -131.9 | 155.7 | 179.6 | 172.5 | 0 | 0 | 0 | 0 | 112.8 | G172 F199 T203 T206 | G172-S201 VanDerWaalsContact CA-O 3.32Å; G172-S201 WeakPolarHBondContact CA-O 3.46Å; F199-S201 WeakPolarHBondContact CD1-O 3.11Å; F199-S201 WeakPolarHBondContact CE1-O 3.26Å; F199-S201 PolarHBondContact O-N 2.92Å; S201-T203 VanDerWaalsContact C-N 3.28Å; S201-T203 PolarHBondContact O-N 3.35Å; S201-T203 PolarHBondContact OG-N 3.07Å; S201-T206 WeakPolarHBondContact OG-CB 3.06Å; S201-T206 PolarHBondContact OG-OG1 3.4Å |
| 202 | T | 96.3 | Very high | 95.5 | Very high | 53 Ų | 53 | 35.7 Ų | 35.7 | 33% | 0.325 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -83.8 | -0.4 | 179.5 | 57.5 | 0 | 0 | 0 | 0 | 114 | G164 P171 I430 | G164-T202 VanDerWaalsContact CA-O 3.3Å; G164-T202 WeakPolarHBondContact CA-O 3.37Å; P171-T202 HydrophobicContact CB-CG2 4.37Å; T202-I430 HydrophobicContact CG2-CD1 3.74Å; T202-I430 HydrophobicContact CG2-CG1 3.98Å |
| 203 | T | 94.5 | Very high | 95.9 | Very high | 66 Ų | 66 | 33.5 Ų | 33.5 | 41% | 0.405 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -135.5 | 130.7 | 177.9 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | F199 S201 G205 T206 | F199-T203 VanDerWaalsContact CE1-O 3.27Å; F199-T203 WeakPolarHBondContact CE1-O 3.3Å; F199-T203 WeakPolarHBondContact CZ-O 2.84Å; S201-T203 VanDerWaalsContact C-N 3.28Å; S201-T203 PolarHBondContact O-N 3.35Å; S201-T203 PolarHBondContact OG-N 3.07Å; T203-G205 PolarHBondContact O-N 2.7Å; T203-G205 VanDerWaalsContact O-N 3.12Å; T203-G205 PolarHBondContact OG1-N 3.32Å; T203-T206 VanDerWaalsContact CG2-OG1 3.23Å; T203-T206 WeakPolarHBondContact CG2-OG1 3.13Å; T203-T206 PolarHBondContact O-N 2.88Å; T203-T206 PolarHBondContact O-OG1 3.38Å |
| 204 | P | 94.8 | Very high | 96.2 | Very high | 7 Ų | 7 | 28.9 Ų | 28.9 | 5% | 0.045 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -57.3 | -28.4 | 177 | -24.2 | 33.7 | 0 | 0 | 0 | 113.3 | V163 T206 N207 I208 Y211 C242 W244 | V163-P204 HydrophobicContact CG2-CG 3.9Å; P204-T206 PolarHBondContact O-N 3.13Å; P204-T206 VanDerWaalsContact O-N 3.16Å; P204-N207 CarbonylContact O-C 3.58Å; P204-N207 PolarHBondContact O-N 3.4Å; P204-I208 HydrophobicContact CB-CD1 4.28Å; P204-I208 PolarHBondContact O-N 2.95Å; P204-Y211 HydrophobicContact CB-CD1 4.3Å; P204-Y211 HydrophobicContact CB-CD2 3.71Å; P204-Y211 HydrophobicContact CB-CE2 3.94Å; P204-Y211 HydrophobicContact CB-CG 3.89Å; P204-Y211 HydrophobicContact CG-CD2 3.98Å; P204-Y211 HydrophobicContact CG-CE2 3.73Å; P204-C242 HydrophobicContact CG-CB 4.24Å; P204-W244 HydrophobicContact CB-CE3 4.06Å; P204-W244 HydrophobicContact CB-CZ3 4.18Å |
| 205 | G | 93.9 | Very high | 96.3 | Very high | 44 Ų | 44 | 26.8 Ų | 26.8 | 45% | 0.454 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -63.1 | -18.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | T203 N207 | T203-G205 PolarHBondContact O-N 2.7Å; T203-G205 VanDerWaalsContact O-N 3.12Å; T203-G205 PolarHBondContact OG1-N 3.32Å; G205-N207 VanDerWaalsContact C-N 3.27Å; G205-N207 PolarHBondContact O-N 2.69Å |
| 206 | T | 93.6 | Very high | 96.3 | Very high | 77 Ų | 77 | 26.5 Ų | 26.5 | 47% | 0.472 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -63.3 | -35.2 | 175.3 | -53.5 | 0 | 0 | 0 | 0 | 111.8 | S201 T203 P204 | S201-T206 WeakPolarHBondContact OG-CB 3.06Å; S201-T206 PolarHBondContact OG-OG1 3.4Å; T203-T206 VanDerWaalsContact CG2-OG1 3.23Å; T203-T206 WeakPolarHBondContact CG2-OG1 3.13Å; T203-T206 PolarHBondContact O-N 2.88Å; T203-T206 PolarHBondContact O-OG1 3.38Å; P204-T206 PolarHBondContact O-N 3.13Å; P204-T206 VanDerWaalsContact O-N 3.16Å |
| 207 | N | 94.3 | Very high | 96.3 | Very high | 14 Ų | 14 | 30.2 Ų | 30.2 | 8% | 0.075 | 17% | 0.17 | C | C | . | . | trans | -158.5 | 80.6 | 179.2 | -168 | -21.1 | 0 | 0 | 0 | 110.9 | F199 P204 G205 K209 L210 Y211 Q360 | F199-N207 HydrophobicContact CE2-CB 4.27Å; F199-N207 WeakPolarHBondContact CE2-O 3.45Å; P204-N207 CarbonylContact O-C 3.58Å; P204-N207 PolarHBondContact O-N 3.4Å; G205-N207 VanDerWaalsContact C-N 3.27Å; G205-N207 PolarHBondContact O-N 2.69Å; N207-K209 PolarHBondContact O-N 2.71Å; N207-L210 HydrophobicContact CB-CB 4Å; N207-L210 PolarHBondContact O-N 3.48Å; N207-L210 WeakPolarHBondContact OD1-CB 3.22Å; N207-L210 PolarHBondContact OD1-N 3.22Å; N207-L210 VanDerWaalsContact OD1-N 3.07Å; N207-Y211 PolarHBondContact O-N 2.91Å; N207-Q360 PolarHBondContact ND2-O 2.84Å | ||
| 208 | I | 94.6 | Very high | 96.3 | Very high | 39 Ų | 39 | 30 Ų | 30 | 20% | 0.2 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.3 | -30.5 | -174 | -162.9 | 57.3 | 0 | 0 | 0 | 113 | P204 Y211 N212 W244 A252 | P204-I208 HydrophobicContact CB-CD1 4.28Å; P204-I208 PolarHBondContact O-N 2.95Å; I208-Y211 HydrophobicContact CD1-CD1 4.21Å; I208-Y211 PolarHBondContact O-N 2.98Å; I208-N212 PolarHBondContact O-N 3.12Å; I208-W244 HydrophobicContact CD1-CZ3 3.91Å; I208-A252 HydrophobicContact CD1-CB 3.91Å |
| 209 | K | 93.8 | Very high | 96.3 | Very high | 60 Ų | 60 | 29.8 Ų | 29.8 | 26% | 0.261 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.6 | -46.8 | 175.5 | -75.5 | -166.9 | -175 | -164.2 | 0 | 111.5 | N207 Y211 N212 K213 E357 Q360 L361 | N207-K209 PolarHBondContact O-N 2.71Å; K209-Y211 VanDerWaalsContact C-N 3.32Å; K209-Y211 PolarHBondContact O-N 3.35Å; K209-N212 PolarHBondContact O-N 3.08Å; K209-K213 WeakPolarHBondContact O-CB 3.45Å; K209-K213 PolarHBondContact O-N 3.11Å; K209-E357 VanDerWaalsContact CE-OE2 3.3Å; K209-E357 WeakPolarHBondContact CE-OE2 3.27Å; K209-E357 VanDerWaalsContact NZ-CG 3.28Å; K209-E357 PolarHBondContact NZ-O 3.23Å; K209-E357 IonicContact NZ-OE2 3.37Å; K209-E357 PolarHBondContact NZ-OE2 3.11Å; K209-Q360 HydrophobicContact CB-CB 4.43Å; K209-Q360 HydrophobicContact CD-CB 4.3Å; K209-L361 HydrophobicContact CB-CD2 4.22Å; K209-L361 HydrophobicContact CB-CG 4.45Å |
| 210 | L | 95.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.1 | -43.3 | 175.2 | -179.8 | 61.1 | 0 | 0 | 0 | 111.1 | F199 N207 N212 K213 I214 V340 L361 | F199-L210 HydrophobicContact CD2-CB 4.49Å; F199-L210 HydrophobicContact CD2-CD2 4Å; F199-L210 HydrophobicContact CD2-CG 4.06Å; F199-L210 HydrophobicContact CE2-CB 4.39Å; F199-L210 HydrophobicContact CE2-CD2 4.38Å; F199-L210 HydrophobicContact CE2-CG 4.44Å; N207-L210 HydrophobicContact CB-CB 4Å; N207-L210 PolarHBondContact O-N 3.48Å; N207-L210 WeakPolarHBondContact OD1-CB 3.22Å; N207-L210 PolarHBondContact OD1-N 3.22Å; N207-L210 VanDerWaalsContact OD1-N 3.07Å; L210-N212 PolarHBondContact O-N 3.47Å; L210-K213 PolarHBondContact O-N 2.88Å; L210-I214 HydrophobicContact CD1-CD1 3.84Å; L210-I214 HydrophobicContact CD1-CG1 4.03Å; L210-I214 HydrophobicContact CD2-CD1 4.42Å; L210-I214 HydrophobicContact CG-CD1 3.73Å; L210-I214 HydrophobicContact CG-CG1 4.36Å; L210-I214 VanDerWaalsContact O-CG1 3.3Å; L210-I214 WeakPolarHBondContact O-CG1 3.24Å; L210-I214 PolarHBondContact O-N 3.43Å; L210-V340 HydrophobicContact CD1-CG1 3.9Å; L210-V340 HydrophobicContact CD2-CB 3.92Å; L210-V340 HydrophobicContact CD2-CG1 3.65Å; L210-V340 HydrophobicContact CG-CG1 4.33Å; L210-L361 HydrophobicContact CB-CD2 3.95Å; L210-L361 HydrophobicContact CD1-CD2 4.18Å |
| 211 | Y | 97.5 | Very high | 96.3 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 2% | 0.02 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.4 | -49.7 | 176.5 | -175.8 | -94.3 | 0 | 0 | 0 | 112.2 | L161 V163 M174 F199 P204 N207 I208 K209 K213 I214 T215 A252 | L161-Y211 WeakPolarHBondContact CB-OH 3.36Å; L161-Y211 VanDerWaalsContact O-CE2 3.26Å; L161-Y211 WeakPolarHBondContact O-CE2 3.38Å; L161-Y211 PolarHBondContact O-OH 3.16Å; V163-Y211 HydrophobicContact CG1-CD2 4.14Å; V163-Y211 HydrophobicContact CG1-CE2 3.98Å; M174-Y211 HydrophobicContact CE-CD2 3.8Å; M174-Y211 HydrophobicContact CE-CE1 4.28Å; M174-Y211 HydrophobicContact CE-CE2 3.48Å; M174-Y211 VanDerWaalsContact CE-CE2 3.48Å; M174-Y211 HydrophobicContact CE-CG 4.33Å; M174-Y211 HydrophobicContact CG-CE2 4.44Å; M174-Y211 HydrophobicContact SD-CD2 3.46Å; M174-Y211 WeakPolarHBondContact SD-CD2 3.44Å; M174-Y211 HydrophobicContact SD-CE2 3.63Å; M174-Y211 HydrophobicContact SD-CG 4.2Å; F199-Y211 HydrophobicContact CE2-CD2 4.43Å; P204-Y211 HydrophobicContact CB-CD1 4.3Å; P204-Y211 HydrophobicContact CB-CD2 3.71Å; P204-Y211 HydrophobicContact CB-CE2 3.94Å; P204-Y211 HydrophobicContact CB-CG 3.89Å; P204-Y211 HydrophobicContact CG-CD2 3.98Å; P204-Y211 HydrophobicContact CG-CE2 3.73Å; N207-Y211 PolarHBondContact O-N 2.91Å; I208-Y211 HydrophobicContact CD1-CD1 4.21Å; I208-Y211 PolarHBondContact O-N 2.98Å; K209-Y211 VanDerWaalsContact C-N 3.32Å; K209-Y211 PolarHBondContact O-N 3.35Å; Y211-K213 VanDerWaalsContact C-N 3.35Å; Y211-K213 PolarHBondContact O-N 3.5Å; Y211-I214 PolarHBondContact O-N 3.37Å; Y211-T215 WeakPolarHBondContact O-CB 3.39Å; Y211-T215 PolarHBondContact O-N 3.07Å; Y211-T215 PolarHBondContact O-OG1 3.05Å; Y211-A252 HydrophobicContact CD1-CB 4.15Å; Y211-A252 HydrophobicContact CE1-CB 4.01Å |
| 212 | N | 97.4 | Very high | 96.4 | Very high | 35 Ų | 35 | 34.1 Ų | 34.1 | 19% | 0.187 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.9 | -38 | 177.8 | -75.1 | -8.3 | 0 | 0 | 0 | 112.1 | I208 K209 L210 T215 S216 H255 | I208-N212 PolarHBondContact O-N 3.12Å; K209-N212 PolarHBondContact O-N 3.08Å; L210-N212 PolarHBondContact O-N 3.47Å; N212-T215 WeakPolarHBondContact O-CB 3.46Å; N212-T215 PolarHBondContact O-N 3.23Å; N212-S216 PolarHBondContact O-N 3.18Å; N212-S216 PolarHBondContact O-OG 2.8Å; N212-H255 PolarHBondContact O-NE2 3.02Å |
| 213 | K | 96.4 | Very high | 96.4 | Very high | 78 Ų | 78 | 33 Ų | 33 | 34% | 0.339 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.9 | -45.3 | 177.9 | -172.7 | 70.2 | -178.3 | 176.7 | 0 | 111.8 | K209 L210 Y211 T215 S216 R217 E391 | K209-K213 WeakPolarHBondContact O-CB 3.45Å; K209-K213 PolarHBondContact O-N 3.11Å; L210-K213 PolarHBondContact O-N 2.88Å; Y211-K213 VanDerWaalsContact C-N 3.35Å; Y211-K213 PolarHBondContact O-N 3.5Å; K213-T215 VanDerWaalsContact C-N 3.34Å; K213-S216 PolarHBondContact O-N 3.34Å; K213-R217 PolarHBondContact O-N 3.5Å; K213-E391 WeakPolarHBondContact CE-OE1 3Å; K213-E391 WeakPolarHBondContact CE-OE2 3.09Å; K213-E391 HydrophobicContact CG-CG 4.22Å; K213-E391 IonicContact NZ-OE1 2.66Å; K213-E391 PolarHBondContact NZ-OE1 2.83Å; K213-E391 IonicContact NZ-OE2 3.75Å; K213-E391 PolarHBondContact NZ-OE2 2.91Å; K213-E391 VanDerWaalsContact NZ-OE2 3.16Å |
| 214 | I | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.8 | -39.3 | 174.1 | -65.4 | 165.1 | 0 | 0 | 0 | 110.8 | M174 Y197 H198 F199 L210 Y211 S216 R217 L218 | M174-I214 HydrophobicContact CB-CG2 3.86Å; M174-I214 HydrophobicContact CE-CG2 4.41Å; M174-I214 HydrophobicContact CG-CG2 4.26Å; M174-I214 HydrophobicContact SD-CB 3.93Å; M174-I214 HydrophobicContact SD-CD1 4.42Å; M174-I214 HydrophobicContact SD-CG2 3.69Å; Y197-I214 HydrophobicContact CD2-CG2 4.28Å; Y197-I214 HydrophobicContact CG-CG2 3.93Å; H198-I214 WeakPolarHBondContact O-CD1 3.42Å; F199-I214 HydrophobicContact CB-CD1 4.01Å; F199-I214 HydrophobicContact CD2-CD1 4.17Å; L210-I214 HydrophobicContact CD1-CD1 3.84Å; L210-I214 HydrophobicContact CD1-CG1 4.03Å; L210-I214 HydrophobicContact CD2-CD1 4.42Å; L210-I214 HydrophobicContact CG-CD1 3.73Å; L210-I214 HydrophobicContact CG-CG1 4.36Å; L210-I214 VanDerWaalsContact O-CG1 3.3Å; L210-I214 WeakPolarHBondContact O-CG1 3.24Å; L210-I214 PolarHBondContact O-N 3.43Å; Y211-I214 PolarHBondContact O-N 3.37Å; I214-S216 PolarHBondContact O-N 2.76Å; I214-R217 PolarHBondContact O-N 2.69Å; I214-L218 HydrophobicContact CG2-CD1 4.07Å; I214-L218 HydrophobicContact CG2-CG 4.48Å; I214-L218 WeakPolarHBondContact O-CB 3.35Å; I214-L218 PolarHBondContact O-N 2.86Å |
| 215 | T | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58 | -48.5 | 175.8 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | L161 M174 Y211 N212 K213 L218 A219 A256 F260 | L161-T215 HydrophobicContact CD1-CG2 4.17Å; L161-T215 HydrophobicContact CD2-CG2 4.47Å; M174-T215 VanDerWaalsContact CE-OG1 3.24Å; M174-T215 WeakPolarHBondContact CE-OG1 3.31Å; Y211-T215 WeakPolarHBondContact O-CB 3.39Å; Y211-T215 PolarHBondContact O-N 3.07Å; Y211-T215 PolarHBondContact O-OG1 3.05Å; N212-T215 WeakPolarHBondContact O-CB 3.46Å; N212-T215 PolarHBondContact O-N 3.23Å; K213-T215 VanDerWaalsContact C-N 3.34Å; T215-L218 PolarHBondContact O-N 2.78Å; T215-A219 PolarHBondContact O-N 3.36Å; T215-A256 HydrophobicContact CG2-CB 3.82Å; T215-F260 HydrophobicContact CG2-CD2 4.31Å; T215-F260 HydrophobicContact CG2-CE2 3.88Å |
| 216 | S | 98.3 | Very high | 96.5 | Very high | 35 Ų | 35 | 37.1 Ų | 37.1 | 25% | 0.245 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61 | -44.8 | 175.6 | -64.6 | 0 | 0 | 0 | 0 | 111.6 | N212 K213 I214 L218 A219 D220 H255 | N212-S216 PolarHBondContact O-N 3.18Å; N212-S216 PolarHBondContact O-OG 2.8Å; K213-S216 PolarHBondContact O-N 3.34Å; I214-S216 PolarHBondContact O-N 2.76Å; S216-L218 VanDerWaalsContact C-N 3.34Å; S216-L218 PolarHBondContact O-N 3.33Å; S216-A219 WeakPolarHBondContact O-CB 3.37Å; S216-A219 PolarHBondContact O-N 3.47Å; S216-A219 VanDerWaalsContact O-N 3.13Å; S216-D220 VanDerWaalsContact O-CG 3.3Å; S216-D220 PolarHBondContact O-N 2.85Å; S216-H255 PolarHBondContact OG-CE1 2.79Å; S216-H255 VanDerWaalsContact OG-CE1 3.28Å; S216-H255 PolarHBondContact OG-NE2 2.81Å |
| 217 | R | 97.8 | Very high | 96.6 | Very high | 82 Ų | 82 | 41 Ų | 41 | 31% | 0.309 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.2 | -40.6 | 179.1 | -173.8 | 59.6 | 174.8 | 162.5 | 2.7 | 112.8 | Y197 K213 I214 A219 D220 V221 E391 | Y197-R217 HydrophobicContact CE1-CG 3.88Å; K213-R217 PolarHBondContact O-N 3.5Å; I214-R217 PolarHBondContact O-N 2.69Å; R217-A219 VanDerWaalsContact C-N 3.34Å; R217-D220 PolarHBondContact O-N 3.39Å; R217-V221 WeakPolarHBondContact O-CG2 3.41Å; R217-V221 PolarHBondContact O-N 2.8Å; R217-V221 VanDerWaalsContact O-N 3.09Å; R217-E391 HydrophobicContact CG-CB 4.31Å; R217-E391 PolarHBondContact NE-O 2.92Å |
| 218 | L | 98 | Very high | 96.7 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.4 | -42.6 | 173.7 | -86.1 | 166.1 | 0 | 0 | 0 | 111.6 | L161 M174 A176 L195 Y197 I214 T215 S216 F222 F260 | L161-L218 HydrophobicContact CD2-CD1 4.02Å; M174-L218 HydrophobicContact CB-CD1 3.75Å; A176-L218 HydrophobicContact CB-CD2 4.34Å; L195-L218 HydrophobicContact CD2-CD2 3.89Å; L195-L218 HydrophobicContact CG-CD2 4.19Å; Y197-L218 HydrophobicContact CD2-CD1 4.3Å; Y197-L218 HydrophobicContact CD2-CD2 3.6Å; Y197-L218 HydrophobicContact CD2-CG 3.64Å; Y197-L218 HydrophobicContact CE2-CD2 3.52Å; Y197-L218 HydrophobicContact CE2-CG 3.74Å; I214-L218 HydrophobicContact CG2-CD1 4.07Å; I214-L218 HydrophobicContact CG2-CG 4.48Å; I214-L218 WeakPolarHBondContact O-CB 3.35Å; I214-L218 PolarHBondContact O-N 2.86Å; T215-L218 PolarHBondContact O-N 2.78Å; S216-L218 VanDerWaalsContact C-N 3.34Å; S216-L218 PolarHBondContact O-N 3.33Å; L218-F222 VanDerWaalsContact O-CB 3.26Å; L218-F222 WeakPolarHBondContact O-CB 3.26Å; L218-F222 PolarHBondContact O-N 2.81Å; L218-F260 HydrophobicContact CB-CZ 3.94Å |
| 219 | A | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.2 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T215 S216 R217 V221 F222 N223 A259 F260 | T215-A219 PolarHBondContact O-N 3.36Å; S216-A219 WeakPolarHBondContact O-CB 3.37Å; S216-A219 PolarHBondContact O-N 3.47Å; S216-A219 VanDerWaalsContact O-N 3.13Å; R217-A219 VanDerWaalsContact C-N 3.34Å; A219-V221 PolarHBondContact O-N 2.8Å; A219-F222 WeakPolarHBondContact O-CB 3.11Å; A219-F222 PolarHBondContact O-N 2.99Å; A219-N223 VanDerWaalsContact O-CG 3.28Å; A219-N223 PolarHBondContact O-N 3.16Å; A219-N223 PolarHBondContact O-ND2 2.97Å; A219-A259 HydrophobicContact CB-CB 4.16Å; A219-A259 VanDerWaalsContact CB-O 3.26Å; A219-A259 WeakPolarHBondContact CB-O 3.48Å; A219-F260 HydrophobicContact CB-CD1 3.9Å; A219-F260 HydrophobicContact CB-CD2 3.99Å; A219-F260 HydrophobicContact CB-CE1 3.9Å; A219-F260 HydrophobicContact CB-CE2 3.99Å; A219-F260 HydrophobicContact CB-CG 3.94Å; A219-F260 HydrophobicContact CB-CZ 3.94Å |
| 220 | D | 97.9 | Very high | 96.7 | Very high | 75 Ų | 75 | 49 Ų | 49 | 40% | 0.401 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.7 | -48.7 | 177 | -66.2 | -24.3 | 0 | 0 | 0 | 111.7 | S216 R217 F222 N223 Q224 | S216-D220 VanDerWaalsContact O-CG 3.3Å; S216-D220 PolarHBondContact O-N 2.85Å; R217-D220 PolarHBondContact O-N 3.39Å; D220-F222 VanDerWaalsContact C-N 3.32Å; D220-F222 PolarHBondContact O-N 3.24Å; D220-N223 WeakPolarHBondContact O-CB 2.94Å; D220-N223 PolarHBondContact O-N 3.01Å; D220-Q224 WeakPolarHBondContact O-CG 3.49Å; D220-Q224 PolarHBondContact O-N 2.87Å |
| 221 | V | 97.1 | Very high | 96.7 | Very high | 33 Ų | 33 | 54.7 Ų | 54.7 | 20% | 0.2 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.7 | -34.1 | 180 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | L195 R217 A219 R225 | L195-V221 HydrophobicContact CD2-CB 3.95Å; L195-V221 HydrophobicContact CD2-CG1 3.47Å; L195-V221 VanDerWaalsContact CD2-CG1 3.47Å; R217-V221 WeakPolarHBondContact O-CG2 3.41Å; R217-V221 PolarHBondContact O-N 2.8Å; R217-V221 VanDerWaalsContact O-N 3.09Å; A219-V221 PolarHBondContact O-N 2.8Å; V221-R225 WeakPolarHBondContact O-CB 3.32Å; V221-R225 PolarHBondContact O-N 2.84Å |
| 222 | F | 97.2 | Very high | 96.5 | Very high | 9 Ų | 9 | 54.5 Ų | 54.5 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 171.3 | 170.9 | -106.7 | 0 | 0 | 0 | 111.6 | R127 T157 L218 A219 D220 R225 C226 C237 F260 | R127-F222 HydrophobicContact CG-CE1 4.38Å; T157-F222 HydrophobicContact CG2-CD2 4.06Å; T157-F222 HydrophobicContact CG2-CE2 4.25Å; L218-F222 VanDerWaalsContact O-CB 3.26Å; L218-F222 WeakPolarHBondContact O-CB 3.26Å; L218-F222 PolarHBondContact O-N 2.81Å; A219-F222 WeakPolarHBondContact O-CB 3.11Å; A219-F222 PolarHBondContact O-N 2.99Å; D220-F222 VanDerWaalsContact C-N 3.32Å; D220-F222 PolarHBondContact O-N 3.24Å; F222-R225 WeakPolarHBondContact O-CB 3.38Å; F222-R225 PolarHBondContact O-N 2.99Å; F222-C226 VanDerWaalsContact CE2-SG 3.59Å; F222-C226 WeakPolarHBondContact CZ-SG 3.3Å; F222-C226 PolarHBondContact O-N 2.88Å; F222-C226 PolarHBondContact O-SG 3.22Å; F222-C226 VanDerWaalsContact O-SG 3.37Å; F222-C237 HydrophobicContact CE1-CB 4.29Å; F222-C237 HydrophobicContact CE2-CB 3.81Å; F222-C237 HydrophobicContact CZ-CB 3.61Å; F222-F260 HydrophobicContact CB-CE1 4.39Å; F222-F260 HydrophobicContact CD1-CD1 4.28Å; F222-F260 HydrophobicContact CD1-CE1 4.45Å |
| 223 | N | 97.1 | Very high | 96.5 | Very high | 30 Ų | 30 | 53.5 Ų | 53.5 | 16% | 0.16 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59 | -49 | 176 | -72.9 | -22.6 | 0 | 0 | 0 | 111.5 | R127 A219 D220 R225 C226 E227 | R127-N223 PolarHBondContact NH1-OD1 2.88Å; R127-N223 PolarHBondContact NH2-OD1 2.94Å; A219-N223 VanDerWaalsContact O-CG 3.28Å; A219-N223 PolarHBondContact O-N 3.16Å; A219-N223 PolarHBondContact O-ND2 2.97Å; D220-N223 WeakPolarHBondContact O-CB 2.94Å; D220-N223 PolarHBondContact O-N 3.01Å; N223-R225 VanDerWaalsContact C-N 3.26Å; N223-R225 PolarHBondContact O-N 3.48Å; N223-C226 WeakPolarHBondContact O-CA 3.38Å; N223-C226 WeakPolarHBondContact O-CB 3.48Å; N223-C226 PolarHBondContact O-N 2.91Å; N223-E227 PolarHBondContact O-N 3.49Å |
| 224 | Q | 96.6 | Very high | 96.5 | Very high | 101 Ų | 101 | 50 Ų | 50 | 47% | 0.472 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.6 | -40.7 | 176.2 | -70.4 | 171.4 | 6.4 | 0 | 0 | 112 | D220 E227 V228 | D220-Q224 WeakPolarHBondContact O-CG 3.49Å; D220-Q224 PolarHBondContact O-N 2.87Å; Q224-E227 PolarHBondContact O-N 3.28Å; Q224-V228 PolarHBondContact O-N 2.95Å |
| 225 | R | 94.4 | Very high | 96.5 | Very high | 89 Ų | 89 | 50.1 Ų | 50.1 | 34% | 0.336 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.3 | -39.4 | 175.4 | -176.4 | 178 | -179 | 153.1 | 8.1 | 112.1 | Y178 V221 F222 N223 E227 V228 N229 | Y178-R225 VanDerWaalsContact CD1-NH2 3.29Å; V221-R225 WeakPolarHBondContact O-CB 3.32Å; V221-R225 PolarHBondContact O-N 2.84Å; F222-R225 WeakPolarHBondContact O-CB 3.38Å; F222-R225 PolarHBondContact O-N 2.99Å; N223-R225 VanDerWaalsContact C-N 3.26Å; N223-R225 PolarHBondContact O-N 3.48Å; R225-E227 VanDerWaalsContact C-N 3.32Å; R225-V228 WeakPolarHBondContact O-CG2 3.1Å; R225-V228 PolarHBondContact O-N 2.87Å; R225-N229 VanDerWaalsContact O-CB 3.3Å; R225-N229 WeakPolarHBondContact O-CB 3.26Å; R225-N229 PolarHBondContact O-N 2.95Å |
| 226 | C | 95.1 | Very high | 96.5 | Very high | 12 Ų | 12 | 50.1 Ų | 50.1 | 8% | 0.081 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.5 | -34.3 | 177.3 | -71.5 | 0 | 0 | 0 | 0 | 112.4 | F222 N223 V228 S233 | F222-C226 VanDerWaalsContact CE2-SG 3.59Å; F222-C226 WeakPolarHBondContact CZ-SG 3.3Å; F222-C226 PolarHBondContact O-N 2.88Å; F222-C226 PolarHBondContact O-SG 3.22Å; F222-C226 VanDerWaalsContact O-SG 3.37Å; N223-C226 WeakPolarHBondContact O-CA 3.38Å; N223-C226 WeakPolarHBondContact O-CB 3.48Å; N223-C226 PolarHBondContact O-N 2.91Å; C226-V228 VanDerWaalsContact C-N 3.34Å; C226-V228 PolarHBondContact O-N 3.47Å; C226-S233 WeakPolarHBondContact O-CB 3.25Å |
| 227 | E | 95 | Very high | 96.5 | Very high | 159 Ų | 159 | 48.5 Ų | 48.5 | 74% | 0.743 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -62.2 | -40.1 | 176.3 | -70.3 | 169.7 | -174.9 | 0 | 0 | 112.3 | N223 Q224 R225 | N223-E227 PolarHBondContact O-N 3.49Å; Q224-E227 PolarHBondContact O-N 3.28Å; R225-E227 VanDerWaalsContact C-N 3.32Å |
| 228 | V | 95.6 | Very high | 96.6 | Very high | 130 Ų | 130 | 44.6 Ų | 44.6 | 79% | 0.788 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -93.1 | -14.5 | -177.6 | -57.8 | 0 | 0 | 0 | 0 | 114 | Q224 R225 C226 | Q224-V228 PolarHBondContact O-N 2.95Å; R225-V228 WeakPolarHBondContact O-CG2 3.1Å; R225-V228 PolarHBondContact O-N 2.87Å; C226-V228 VanDerWaalsContact C-N 3.34Å; C226-V228 PolarHBondContact O-N 3.47Å |
| 229 | N | 94.9 | Very high | 96.6 | Very high | 49 Ų | 49 | 44.4 Ų | 44.4 | 26% | 0.262 | 21% | 0.213 | S | C | . | . | trans | -128.1 | 92.6 | -177.7 | -171.8 | -29 | 0 | 0 | 0 | 111.3 | R225 R231 A232 S233 | R225-N229 VanDerWaalsContact O-CB 3.3Å; R225-N229 WeakPolarHBondContact O-CB 3.26Å; R225-N229 PolarHBondContact O-N 2.95Å; N229-R231 VanDerWaalsContact C-N 3.26Å; N229-R231 PolarHBondContact O-N 3.32Å; N229-R231 PolarHBondContact OD1-N 3.29Å; N229-A232 HydrophobicContact CB-CB 3.97Å; N229-A232 PolarHBondContact O-N 2.63Å; N229-A232 VanDerWaalsContact O-N 3.13Å; N229-A232 PolarHBondContact OD1-N 2.74Å; N229-S233 PolarHBondContact O-N 2.86Å | ||
| 230 | R | 94.7 | Very high | 96.6 | Very high | 103 Ų | 103 | 44.4 Ų | 44.4 | 39% | 0.389 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -53.8 | -40.8 | 178.7 | -176.3 | 66.2 | -176.4 | 144 | 13.7 | 112.9 | A118 E122 E123 A232 S233 V234 | A118-R230 PolarHBondContact O-NH2 3.19Å; E122-R230 VanDerWaalsContact C-NH2 3.28Å; E122-R230 PolarHBondContact O-NH1 2.82Å; E122-R230 VanDerWaalsContact O-NH1 3.11Å; E123-R230 PolarHBondContact O-NH1 2.91Å; E123-R230 PolarHBondContact O-NH2 2.73Å; E123-R230 VanDerWaalsContact O-NH2 3.16Å; R230-A232 PolarHBondContact O-N 2.94Å; R230-S233 WeakPolarHBondContact O-CB 3.43Å; R230-S233 PolarHBondContact O-N 2.83Å; R230-V234 HydrophobicContact CG-CG2 4.34Å; R230-V234 WeakPolarHBondContact O-CG2 3.4Å; R230-V234 PolarHBondContact O-N 3.48Å |
| 231 | R | 93.9 | Very high | 96.7 | Very high | 121 Ų | 121 | 40.9 Ų | 40.9 | 46% | 0.457 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.2 | -40.3 | -178.6 | -170 | 169.9 | -178.7 | 178.5 | 2.5 | 111.7 | G153 R155 N229 S235 | G153-R231 PolarHBondContact O-NH2 3.17Å; R155-R231 HydrophobicContact CB-CG 4.41Å; R155-R231 HydrophobicContact CG-CG 4.39Å; N229-R231 VanDerWaalsContact C-N 3.26Å; N229-R231 PolarHBondContact O-N 3.32Å; N229-R231 PolarHBondContact OD1-N 3.29Å; R231-S235 VanDerWaalsContact O-CB 3.28Å; R231-S235 WeakPolarHBondContact O-CB 3.46Å; R231-S235 PolarHBondContact O-N 3.37Å; R231-S235 PolarHBondContact O-OG 2.65Å |
| 232 | A | 93.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.4 | -44.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y178 N229 R230 S235 G236 | Y178-A232 HydrophobicContact CD2-CB 4.46Å; Y178-A232 HydrophobicContact CE2-CB 3.67Å; N229-A232 HydrophobicContact CB-CB 3.97Å; N229-A232 PolarHBondContact O-N 2.63Å; N229-A232 VanDerWaalsContact O-N 3.13Å; N229-A232 PolarHBondContact OD1-N 2.74Å; R230-A232 PolarHBondContact O-N 2.94Å; A232-S235 PolarHBondContact O-N 3.35Å; A232-G236 PolarHBondContact O-N 3.12Å; A232-G236 VanDerWaalsContact O-N 3.1Å |
| 233 | S | 97.3 | Very high | 96.5 | Very high | 15 Ų | 15 | 40.2 Ų | 40.2 | 11% | 0.105 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56 | -54.4 | 178.7 | -171.9 | 0 | 0 | 0 | 0 | 112.6 | G125 C226 N229 R230 S235 G236 | G125-S233 WeakPolarHBondContact CA-O 3.33Å; G125-S233 PolarHBondContact N-O 3Å; C226-S233 WeakPolarHBondContact O-CB 3.25Å; N229-S233 PolarHBondContact O-N 2.86Å; R230-S233 WeakPolarHBondContact O-CB 3.43Å; R230-S233 PolarHBondContact O-N 2.83Å; S233-S235 VanDerWaalsContact C-N 3.26Å; S233-S235 PolarHBondContact O-N 2.97Å; S233-G236 PolarHBondContact O-N 2.84Å |
| 234 | V | 97.9 | Very high | 96.5 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.6 | -27.7 | 179.2 | 175.1 | 0 | 0 | 0 | 0 | 112.4 | R115 E119 G125 R230 G236 | R115-V234 WeakPolarHBondContact CG-O 3.23Å; E119-V234 HydrophobicContact CB-CG1 3.76Å; E119-V234 HydrophobicContact CG-CG1 4.25Å; G125-V234 WeakPolarHBondContact CA-O 3.35Å; R230-V234 HydrophobicContact CG-CG2 4.34Å; R230-V234 WeakPolarHBondContact O-CG2 3.4Å; R230-V234 PolarHBondContact O-N 3.48Å; V234-G236 VanDerWaalsContact C-N 3.33Å |
| 235 | S | 97.9 | Very high | 96.5 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -75.5 | -25.4 | 178.4 | -60.5 | 0 | 0 | 0 | 0 | 112.9 | R115 R155 R231 A232 S233 | R115-S235 PolarHBondContact NE-O 3.45Å; R155-S235 PolarHBondContact N-OG 3.41Å; R155-S235 VanDerWaalsContact O-CB 3.24Å; R155-S235 WeakPolarHBondContact O-CB 3.45Å; R231-S235 VanDerWaalsContact O-CB 3.28Å; R231-S235 WeakPolarHBondContact O-CB 3.46Å; R231-S235 PolarHBondContact O-N 3.37Å; R231-S235 PolarHBondContact O-OG 2.65Å; A232-S235 PolarHBondContact O-N 3.35Å; S233-S235 VanDerWaalsContact C-N 3.26Å; S233-S235 PolarHBondContact O-N 2.97Å |
| 236 | G | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | 70.9 | -156.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | P126 P156 T157 A232 S233 V234 | P126-G236 WeakPolarHBondContact O-CA 3.25Å; P156-G236 WeakPolarHBondContact CA-O 3.5Å; T157-G236 PolarHBondContact N-O 3.33Å; A232-G236 PolarHBondContact O-N 3.12Å; A232-G236 VanDerWaalsContact O-N 3.1Å; S233-G236 PolarHBondContact O-N 2.84Å; V234-G236 VanDerWaalsContact C-N 3.33Å | ||
| 237 | C | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 158 | -179.9 | 65.7 | 0 | 0 | 0 | 0 | 113.1 | P126 V128 T157 V159 F222 | P126-C237 PolarHBondContact O-N 2.85Å; V128-C237 PolarHBondContact N-O 3.43Å; T157-C237 CarbonylContact O-C 3.51Å; T157-C237 WeakPolarHBondContact O-CA 3.43Å; T157-C237 WeakPolarHBondContact O-CB 2.95Å; V159-C237 HydrophobicContact CG2-CB 4.34Å; F222-C237 HydrophobicContact CE1-CB 4.29Å; F222-C237 HydrophobicContact CE2-CB 3.81Å; F222-C237 HydrophobicContact CZ-CB 3.61Å |
| 238 | V | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 122.7 | 169.4 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | V128 V130 C142 L146 T157 Y158 V159 | V128-V238 CarbonylContact O-C 3.58Å; V128-V238 WeakPolarHBondContact O-CA 3.35Å; V130-V238 HydrophobicContact CG2-CG1 4.29Å; C142-V238 HydrophobicContact CB-CG1 3.97Å; L146-V238 HydrophobicContact CD2-CB 3.9Å; L146-V238 HydrophobicContact CD2-CG2 3.74Å; L146-V238 HydrophobicContact CG-CB 4.1Å; L146-V238 HydrophobicContact CG-CG2 4.06Å; T157-V238 PolarHBondContact O-N 2.8Å; Y158-V238 WeakPolarHBondContact CD2-O 3.3Å; V159-V238 PolarHBondContact N-O 2.69Å |
| 239 | I | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 113.8 | -172.2 | -53.1 | 158.8 | 0 | 0 | 0 | 108.7 | V128 M129 V130 V159 L161 F260 V262 | V128-I239 PolarHBondContact O-N 2.98Å; M129-I239 HydrophobicContact CB-CB 4.35Å; M129-I239 HydrophobicContact CB-CD1 4.38Å; M129-I239 HydrophobicContact CG-CB 4.25Å; M129-I239 HydrophobicContact CG-CG2 4.29Å; V130-I239 PolarHBondContact N-O 2.82Å; V159-I239 HydrophobicContact CB-CB 4.24Å; V159-I239 HydrophobicContact CB-CG1 3.9Å; V159-I239 HydrophobicContact CB-CG2 4.18Å; V159-I239 HydrophobicContact CG1-CG1 4.39Å; V159-I239 HydrophobicContact CG1-CG2 4.05Å; V159-I239 HydrophobicContact CG2-CG1 4.21Å; V159-I239 CarbonylContact O-C 3.56Å; V159-I239 WeakPolarHBondContact O-CA 2.96Å; L161-I239 HydrophobicContact CD1-CG2 3.54Å; L161-I239 HydrophobicContact CG-CG2 3.86Å; I239-F260 HydrophobicContact CD1-CB 3.64Å; I239-F260 HydrophobicContact CD1-CD1 3.9Å; I239-F260 HydrophobicContact CD1-CD2 4.09Å; I239-F260 HydrophobicContact CD1-CG 3.6Å; I239-F260 HydrophobicContact CG1-CD1 4.48Å; I239-V262 HydrophobicContact CD1-CG1 3.84Å |
| 240 | N | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 136 | 170.3 | -175 | 47.1 | 0 | 0 | 0 | 110.1 | K138 S139 Y158 V159 E160 L161 | K138-N240 WeakPolarHBondContact CB-OD1 3.41Å; S139-N240 PolarHBondContact OG-ND2 2.71Å; Y158-N240 HydrophobicContact CE2-CB 3.75Å; Y158-N240 VanDerWaalsContact OH-CB 3.31Å; Y158-N240 WeakPolarHBondContact OH-CB 3.11Å; V159-N240 PolarHBondContact O-N 3.3Å; E160-N240 PolarHBondContact OE1-ND2 3.05Å; E160-N240 PolarHBondContact OE2-ND2 3.32Å; L161-N240 WeakPolarHBondContact CB-O 3.3Å; L161-N240 PolarHBondContact N-O 3.46Å |
| 241 | T | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | trans | -114.5 | 162.9 | 180 | 73.2 | 0 | 0 | 0 | 0 | 112.3 | M129 V130 V131 K138 L253 | M129-T241 HydrophobicContact CG-CG2 3.81Å; M129-T241 HydrophobicContact SD-CG2 4.11Å; V130-T241 PolarHBondContact O-OG1 2.74Å; V130-T241 VanDerWaalsContact O-OG1 3.13Å; V131-T241 HydrophobicContact CG1-CG2 3.99Å; K138-T241 WeakPolarHBondContact CE-O 3.46Å; T241-L253 HydrophobicContact CG2-CD2 3.86Å | ||
| 242 | C | 95.4 | Very high | 97.2 | Very high | 8 Ų | 8 | 25.7 Ų | 25.7 | 5% | 0.054 | 15% | 0.145 | C | C | . | . | trans | -66.5 | 164.7 | 168.6 | 72 | 0 | 0 | 0 | 0 | 112 | D162 P204 W244 | D162-C242 HydrophobicContact CB-CB 4.41Å; P204-C242 HydrophobicContact CG-CB 4.24Å; C242-W244 VanDerWaalsContact C-N 3.25Å; C242-W244 PolarHBondContact O-N 3.46Å | ||
| 243 | G | 95.9 | Very high | 97.4 | Very high | 19 Ų | 19 | 25.9 Ų | 25.9 | 20% | 0.196 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -80 | 9.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | V245 | G243-V245 PolarHBondContact O-N 3.04Š|
| 244 | W | 96.1 | Very high | 97.5 | Very high | 82 Ų | 82 | 26.8 Ų | 26.8 | 31% | 0.311 | 15% | 0.151 | S | C | . | . | trans | -90.1 | 93.7 | -176.5 | -172.6 | 26.1 | 0 | 0 | 0 | 111.4 | P204 I208 C242 K246 G249 | P204-W244 HydrophobicContact CB-CE3 4.06Å; P204-W244 HydrophobicContact CB-CZ3 4.18Å; I208-W244 HydrophobicContact CD1-CZ3 3.91Å; C242-W244 VanDerWaalsContact C-N 3.25Å; C242-W244 PolarHBondContact O-N 3.46Å; W244-K246 PolarHBondContact NE1-O 3.49Å; W244-G249 VanDerWaalsContact CD2-CA 3.43Å; W244-G249 CarbonylContact O-C 3.48Å; W244-G249 VanDerWaalsContact O-C 3.24Å; W244-G249 VanDerWaalsContact O-CA 3.23Å; W244-G249 WeakPolarHBondContact O-CA 3.29Å | ||
| 245 | V | 96.6 | Very high | 97.5 | Very high | 13 Ų | 13 | 29.4 Ų | 29.4 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | trans | -103.8 | 7.7 | -168.9 | -58.4 | 0 | 0 | 0 | 0 | 115.1 | G132 P133 G243 L253 L273 | G132-V245 VanDerWaalsContact C-CG1 3.44Å; G132-V245 WeakPolarHBondContact O-CG1 3.43Å; P133-V245 HydrophobicContact CB-CG2 4.44Å; G243-V245 PolarHBondContact O-N 3.04Å; V245-L253 HydrophobicContact CG1-CD1 4.31Å; V245-L273 HydrophobicContact CB-CD1 4.31Å; V245-L273 HydrophobicContact CB-CD2 3.93Å; V245-L273 HydrophobicContact CG1-CD2 3.7Å | ||
| 246 | K | 95.1 | Very high | 97.5 | Very high | 141 Ų | 141 | 29.4 Ų | 29.4 | 61% | 0.613 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -125.4 | 152.9 | -175.3 | -64.9 | -176.1 | -179.8 | 176.8 | 0 | 111.1 | W244 S248 G249 | W244-K246 PolarHBondContact NE1-O 3.49Å; K246-S248 PolarHBondContact O-N 3.1Å; K246-G249 PolarHBondContact O-N 2.89Å |
| 247 | G | 96.3 | Very high | 97.5 | Very high | 55 Ų | 55 | 29.6 Ų | 29.6 | 57% | 0.567 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | -128.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | G249 Y250 Q251 | G247-G249 PolarHBondContact O-N 3.18Å; G247-Y250 WeakPolarHBondContact O-CB 3.5Å; G247-Y250 PolarHBondContact O-N 2.77Å; G247-Q251 PolarHBondContact O-N 3.23Å |
| 248 | S | 95.6 | Very high | 97.5 | Very high | 60 Ų | 60 | 34 Ų | 34 | 42% | 0.42 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60 | -28.6 | 177.3 | -8.6 | 0 | 0 | 0 | 0 | 113.2 | K246 Q251 A252 | K246-S248 PolarHBondContact O-N 3.1Å; S248-Q251 PolarHBondContact O-N 2.88Å; S248-A252 PolarHBondContact O-N 2.9Å |
| 249 | G | 96.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.2 | -41.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | W244 K246 G247 Q251 A252 L253 | W244-G249 VanDerWaalsContact CD2-CA 3.43Å; W244-G249 CarbonylContact O-C 3.48Å; W244-G249 VanDerWaalsContact O-C 3.24Å; W244-G249 VanDerWaalsContact O-CA 3.23Å; W244-G249 WeakPolarHBondContact O-CA 3.29Å; K246-G249 PolarHBondContact O-N 2.89Å; G247-G249 PolarHBondContact O-N 3.18Å; G249-Q251 VanDerWaalsContact C-N 3.35Å; G249-Q251 PolarHBondContact O-N 3.43Å; G249-A252 WeakPolarHBondContact O-CB 3.42Å; G249-A252 PolarHBondContact O-N 2.88Å; G249-L253 WeakPolarHBondContact O-CG 3.47Å; G249-L253 PolarHBondContact O-N 3.36Å; G249-L253 VanDerWaalsContact O-N 3.08Å |
| 250 | Y | 98.2 | Very high | 97.5 | Very high | 16 Ų | 16 | 35.1 Ų | 35.1 | 6% | 0.063 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.3 | -44.3 | 173.1 | 176.5 | -95 | 0 | 0 | 0 | 111.5 | G247 A252 L253 V254 L273 E276 L277 D280 | G247-Y250 WeakPolarHBondContact O-CB 3.5Å; G247-Y250 PolarHBondContact O-N 2.77Å; Y250-A252 VanDerWaalsContact C-N 3.27Å; Y250-A252 PolarHBondContact O-N 3.23Å; Y250-L253 WeakPolarHBondContact O-CB 3.23Å; Y250-L253 PolarHBondContact O-N 2.87Å; Y250-V254 HydrophobicContact CD1-CG2 4.22Å; Y250-V254 HydrophobicContact CE1-CG2 3.66Å; Y250-V254 HydrophobicContact CE2-CG2 4.45Å; Y250-V254 PolarHBondContact O-N 2.82Å; Y250-L273 HydrophobicContact CD2-CD1 3.77Å; Y250-L273 HydrophobicContact CE2-CD1 4Å; Y250-E276 HydrophobicContact CE2-CB 3.77Å; Y250-E276 PolarHBondContact OH-O 3.33Å; Y250-E276 VanDerWaalsContact OH-O 3.14Å; Y250-L277 HydrophobicContact CE2-CD2 3.77Å; Y250-L277 HydrophobicContact CE2-CG 4.02Å; Y250-D280 VanDerWaalsContact OH-CB 3.3Å; Y250-D280 WeakPolarHBondContact OH-CB 3.27Å; Y250-D280 PolarHBondContact OH-OD2 3.5Å |
| 251 | Q | 98.1 | Very high | 97.5 | Very high | 117 Ų | 117 | 39.2 Ų | 39.2 | 55% | 0.547 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.3 | -36.5 | 176.8 | -62.2 | -59.2 | -32.2 | 0 | 0 | 112.1 | G247 S248 G249 V254 H255 | G247-Q251 PolarHBondContact O-N 3.23Å; S248-Q251 PolarHBondContact O-N 2.88Å; G249-Q251 VanDerWaalsContact C-N 3.35Å; G249-Q251 PolarHBondContact O-N 3.43Å; Q251-V254 PolarHBondContact O-N 3.01Å; Q251-H255 WeakPolarHBondContact O-CB 3.43Å; Q251-H255 PolarHBondContact O-N 2.98Å |
| 252 | A | 98.1 | Very high | 97.5 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.5 | -34.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I208 Y211 S248 G249 Y250 H255 A256 | I208-A252 HydrophobicContact CD1-CB 3.91Å; Y211-A252 HydrophobicContact CD1-CB 4.15Å; Y211-A252 HydrophobicContact CE1-CB 4.01Å; S248-A252 PolarHBondContact O-N 2.9Å; G249-A252 WeakPolarHBondContact O-CB 3.42Å; G249-A252 PolarHBondContact O-N 2.88Å; Y250-A252 VanDerWaalsContact C-N 3.27Å; Y250-A252 PolarHBondContact O-N 3.23Å; A252-H255 PolarHBondContact O-N 2.71Å; A252-A256 WeakPolarHBondContact O-CB 3.42Å; A252-A256 PolarHBondContact O-N 2.86Å |
| 253 | L | 98.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.3 | -43.1 | 173 | -62.5 | 177.2 | 0 | 0 | 0 | 111.6 | V131 T241 V245 G249 Y250 A256 A257 L273 | V131-L253 HydrophobicContact CB-CD1 4.36Å; V131-L253 HydrophobicContact CG1-CD1 4.4Å; V131-L253 HydrophobicContact CG1-CD2 3.94Å; T241-L253 HydrophobicContact CG2-CD2 3.86Å; V245-L253 HydrophobicContact CG1-CD1 4.31Å; G249-L253 WeakPolarHBondContact O-CG 3.47Å; G249-L253 PolarHBondContact O-N 3.36Å; G249-L253 VanDerWaalsContact O-N 3.08Å; Y250-L253 WeakPolarHBondContact O-CB 3.23Å; Y250-L253 PolarHBondContact O-N 2.87Å; L253-A256 PolarHBondContact O-N 3.16Å; L253-A257 WeakPolarHBondContact O-CB 3.27Å; L253-A257 PolarHBondContact O-N 2.94Å; L253-L273 HydrophobicContact CD1-CD1 4.21Å |
| 254 | V | 98.5 | Very high | 97.8 | Very high | 34 Ų | 34 | 39.7 Ų | 39.7 | 21% | 0.206 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.8 | -42.3 | 175.9 | 177 | 0 | 0 | 0 | 0 | 110.8 | Y250 Q251 A257 S258 L277 | Y250-V254 HydrophobicContact CD1-CG2 4.22Å; Y250-V254 HydrophobicContact CE1-CG2 3.66Å; Y250-V254 HydrophobicContact CE2-CG2 4.45Å; Y250-V254 PolarHBondContact O-N 2.82Å; Q251-V254 PolarHBondContact O-N 3.01Å; V254-A257 WeakPolarHBondContact O-CB 3.12Å; V254-A257 PolarHBondContact O-N 2.7Å; V254-S258 PolarHBondContact O-N 3.21Å; V254-L277 HydrophobicContact CG2-CD2 4.32Å |
| 255 | H | 98.6 | Very high | 97.9 | Very high | 59 Ų | 59 | 35.8 Ų | 35.8 | 27% | 0.273 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.1 | -47.4 | 173.8 | -179.4 | 80.9 | 0 | 0 | 0 | 111.8 | N212 S216 Q251 A252 A257 S258 A259 | N212-H255 PolarHBondContact O-NE2 3.02Å; S216-H255 PolarHBondContact OG-CE1 2.79Å; S216-H255 VanDerWaalsContact OG-CE1 3.28Å; S216-H255 PolarHBondContact OG-NE2 2.81Å; Q251-H255 WeakPolarHBondContact O-CB 3.43Å; Q251-H255 PolarHBondContact O-N 2.98Å; A252-H255 PolarHBondContact O-N 2.71Å; H255-A257 PolarHBondContact O-N 3.46Å; H255-S258 PolarHBondContact O-N 3.46Å; H255-A259 VanDerWaalsContact O-CB 3.3Å; H255-A259 WeakPolarHBondContact O-CB 3.39Å; H255-A259 PolarHBondContact O-N 2.73Å |
| 256 | A | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 2% | 0.017 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.2 | -42.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M129 L161 T215 A252 L253 S258 A259 F260 | M129-A256 HydrophobicContact SD-CB 4.08Å; L161-A256 HydrophobicContact CD1-CB 3.9Å; T215-A256 HydrophobicContact CG2-CB 3.82Å; A252-A256 WeakPolarHBondContact O-CB 3.42Å; A252-A256 PolarHBondContact O-N 2.86Å; L253-A256 PolarHBondContact O-N 3.16Å; A256-S258 VanDerWaalsContact C-N 3.31Å; A256-S258 PolarHBondContact O-N 3.19Å; A256-A259 PolarHBondContact O-N 3.07Å; A256-F260 WeakPolarHBondContact O-CB 3.16Å; A256-F260 WeakPolarHBondContact O-CD2 3.34Å; A256-F260 PolarHBondContact O-N 3.21Å |
| 257 | A | 98.7 | Very high | 98.2 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 3% | 0.033 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.2 | -44.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | M129 L253 V254 H255 E261 V262 L281 | M129-A257 HydrophobicContact CE-CB 3.71Å; M129-A257 HydrophobicContact SD-CB 4.4Å; L253-A257 WeakPolarHBondContact O-CB 3.27Å; L253-A257 PolarHBondContact O-N 2.94Å; V254-A257 WeakPolarHBondContact O-CB 3.12Å; V254-A257 PolarHBondContact O-N 2.7Å; H255-A257 PolarHBondContact O-N 3.46Å; A257-E261 PolarHBondContact O-N 2.81Å; A257-V262 HydrophobicContact CB-CG2 3.59Å; A257-V262 PolarHBondContact O-N 3.27Å; A257-L281 HydrophobicContact CB-CD2 3.65Å |
| 258 | S | 98.5 | Very high | 98.3 | Very high | 92 Ų | 92 | 25.9 Ų | 25.9 | 64% | 0.643 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -69 | -48 | 177.7 | -172.1 | 0 | 0 | 0 | 0 | 112 | V254 H255 A256 F260 E261 | V254-S258 PolarHBondContact O-N 3.21Å; H255-S258 PolarHBondContact O-N 3.46Å; A256-S258 VanDerWaalsContact C-N 3.31Å; A256-S258 PolarHBondContact O-N 3.19Å; S258-F260 VanDerWaalsContact C-N 3.34Å; S258-F260 PolarHBondContact O-N 2.83Å; S258-E261 PolarHBondContact O-N 3.42Å; S258-E261 VanDerWaalsContact O-N 3.11Å |
| 259 | A | 98.4 | Very high | 98.2 | Very high | 23 Ų | 23 | 26 Ų | 26 | 19% | 0.19 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.4 | -42 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A219 H255 A256 E261 | A219-A259 HydrophobicContact CB-CB 4.16Å; A219-A259 VanDerWaalsContact CB-O 3.26Å; A219-A259 WeakPolarHBondContact CB-O 3.48Å; H255-A259 VanDerWaalsContact O-CB 3.3Å; H255-A259 WeakPolarHBondContact O-CB 3.39Å; H255-A259 PolarHBondContact O-N 2.73Å; A256-A259 PolarHBondContact O-N 3.07Å; A259-E261 VanDerWaalsContact C-N 3.32Å |
| 260 | F | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -2.3 | 176.9 | -79.2 | -86 | 0 | 0 | 0 | 113.7 | R127 V159 L161 T215 L218 A219 F222 I239 A256 S258 V262 | R127-F260 WeakPolarHBondContact CD-O 3.31Å; R127-F260 PolarHBondContact NH1-O 3.02Å; V159-F260 HydrophobicContact CG1-CE1 4.1Å; V159-F260 HydrophobicContact CG1-CE2 4.31Å; V159-F260 HydrophobicContact CG1-CZ 3.64Å; V159-F260 HydrophobicContact CG2-CE1 3.98Å; V159-F260 HydrophobicContact CG2-CZ 4.37Å; L161-F260 HydrophobicContact CD1-CE2 4.41Å; L161-F260 HydrophobicContact CD2-CE2 4.38Å; T215-F260 HydrophobicContact CG2-CD2 4.31Å; T215-F260 HydrophobicContact CG2-CE2 3.88Å; L218-F260 HydrophobicContact CB-CZ 3.94Å; A219-F260 HydrophobicContact CB-CD1 3.9Å; A219-F260 HydrophobicContact CB-CD2 3.99Å; A219-F260 HydrophobicContact CB-CE1 3.9Å; A219-F260 HydrophobicContact CB-CE2 3.99Å; A219-F260 HydrophobicContact CB-CG 3.94Å; A219-F260 HydrophobicContact CB-CZ 3.94Å; F222-F260 HydrophobicContact CB-CE1 4.39Å; F222-F260 HydrophobicContact CD1-CD1 4.28Å; F222-F260 HydrophobicContact CD1-CE1 4.45Å; I239-F260 HydrophobicContact CD1-CB 3.64Å; I239-F260 HydrophobicContact CD1-CD1 3.9Å; I239-F260 HydrophobicContact CD1-CD2 4.09Å; I239-F260 HydrophobicContact CD1-CG 3.6Å; I239-F260 HydrophobicContact CG1-CD1 4.48Å; A256-F260 WeakPolarHBondContact O-CB 3.16Å; A256-F260 WeakPolarHBondContact O-CD2 3.34Å; A256-F260 PolarHBondContact O-N 3.21Å; S258-F260 VanDerWaalsContact C-N 3.34Å; S258-F260 PolarHBondContact O-N 2.83Å; F260-V262 VanDerWaalsContact C-N 3.34Å; F260-V262 HydrophobicContact CB-CG1 3.85Å; F260-V262 PolarHBondContact O-N 3.27Å |
| 261 | E | 98.1 | Very high | 98.1 | Very high | 87 Ų | 87 | 34.4 Ų | 34.4 | 41% | 0.407 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 54.3 | -174 | -59.7 | 171 | -141.8 | 0 | 0 | 112 | R124 A257 S258 A259 | R124-E261 IonicContact CZ-OE2 3.32Å; R124-E261 IonicContact NH1-OE2 2.93Å; R124-E261 PolarHBondContact NH1-OE2 3.43Å; R124-E261 IonicContact NH2-OE2 2.8Å; A257-E261 PolarHBondContact O-N 2.81Å; S258-E261 PolarHBondContact O-N 3.42Å; S258-E261 VanDerWaalsContact O-N 3.11Å; A259-E261 VanDerWaalsContact C-N 3.32Å |
| 262 | V | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | trans | -66.8 | 136.3 | -172 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | M129 I239 A257 F260 V265 V285 | M129-V262 HydrophobicContact CB-CG1 4Å; I239-V262 HydrophobicContact CD1-CG1 3.84Å; A257-V262 HydrophobicContact CB-CG2 3.59Å; A257-V262 PolarHBondContact O-N 3.27Å; F260-V262 VanDerWaalsContact C-N 3.34Å; F260-V262 HydrophobicContact CB-CG1 3.85Å; F260-V262 PolarHBondContact O-N 3.27Å; V262-V265 HydrophobicContact CG2-CG2 3.75Å; V262-V285 HydrophobicContact CG2-CG1 4.09Å; V262-V285 WeakPolarHBondContact O-CG2 3.33Å | ||
| 263 | D | 98.6 | Very high | 98 | Very high | 28 Ų | 28 | 36.4 Ų | 36.4 | 15% | 0.15 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -92.9 | -27.8 | 177.6 | -47.2 | -72.5 | 0 | 0 | 0 | 111.1 | M114 R124 P126 R127 R286 | M114-D263 HydrophobicContact CE-CB 3.94Å; R124-D263 IonicContact NH2-OD1 3.94Å; R124-D263 PolarHBondContact NH2-OD1 3.17Å; R124-D263 VanDerWaalsContact NH2-OD1 3.13Å; P126-D263 WeakPolarHBondContact CA-OD2 3.42Å; R127-D263 PolarHBondContact N-OD2 3Å; R127-D263 PolarHBondContact O-N 3.02Å; D263-R286 PolarHBondContact O-N 2.78Å |
| 264 | V | 98.8 | Very high | 98 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 131.8 | -176.9 | -174.3 | 0 | 0 | 0 | 0 | 110.6 | L111 M114 R127 V128 M129 V266 R286 | L111-V264 HydrophobicContact CD2-CB 4.44Å; L111-V264 HydrophobicContact CD2-CG2 3.97Å; M114-V264 HydrophobicContact CE-CG2 4.02Å; M114-V264 HydrophobicContact SD-CG2 3.95Å; R127-V264 PolarHBondContact O-N 2.94Å; V128-V264 CarbonylContact C-O 3.58Å; V128-V264 WeakPolarHBondContact CA-O 3.41Å; V128-V264 HydrophobicContact CG1-CB 4.36Å; V128-V264 HydrophobicContact CG1-CG1 4.41Å; V128-V264 HydrophobicContact CG2-CB 4.34Å; M129-V264 PolarHBondContact N-O 2.96Å; V264-V266 HydrophobicContact CG1-CG2 4.24Å; V264-R286 CarbonylContact C-O 3.35Å; V264-R286 WeakPolarHBondContact CA-O 3.49Å; V264-R286 HydrophobicContact CG2-CB 4.36Å |
| 265 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 119.1 | 171.2 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | M129 V131 V262 V267 L277 L281 V285 R286 T287 V288 | M129-V265 HydrophobicContact CB-CG2 4.46Å; M129-V265 HydrophobicContact CE-CG1 4.06Å; M129-V265 HydrophobicContact CE-CG2 3.85Å; M129-V265 CarbonylContact O-C 3.49Å; M129-V265 WeakPolarHBondContact O-CA 3.38Å; V131-V265 HydrophobicContact CG1-CG1 4.33Å; V131-V265 HydrophobicContact CG2-CG1 3.76Å; V262-V265 HydrophobicContact CG2-CG2 3.75Å; V265-V267 HydrophobicContact CG1-CG2 4.17Å; V265-L277 HydrophobicContact CG1-CD1 4.06Å; V265-L281 HydrophobicContact CB-CD1 4.46Å; V265-L281 HydrophobicContact CG2-CD1 3.73Å; V265-V285 HydrophobicContact CG2-CG1 3.81Å; V265-R286 PolarHBondContact N-O 2.81Å; V265-T287 HydrophobicContact CB-CG2 4.47Å; V265-T287 CarbonylContact O-C 3.54Å; V265-T287 WeakPolarHBondContact O-CA 3.47Å; V265-V288 PolarHBondContact O-N 2.89Å |
| 266 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 110.1 | 177.1 | 178.4 | 0 | 0 | 0 | 0 | 108.5 | T107 V128 M129 V130 V131 V264 L268 L290 | T107-V266 HydrophobicContact CG2-CG2 4.39Å; V128-V266 HydrophobicContact CG1-CG2 3.96Å; M129-V266 PolarHBondContact O-N 2.93Å; V130-V266 WeakPolarHBondContact CA-O 3.2Å; V130-V266 HydrophobicContact CG2-CB 4.35Å; V131-V266 PolarHBondContact N-O 3.01Å; V264-V266 HydrophobicContact CG1-CG2 4.24Å; V266-L268 HydrophobicContact CG1-CD2 3.87Å; V266-L290 HydrophobicContact CG1-CD1 3.43Å; V266-L290 VanDerWaalsContact CG1-CD1 3.43Å; V266-L290 HydrophobicContact CG1-CG 3.96Å |
| 267 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 120.9 | 177.7 | -172.2 | 0 | 0 | 0 | 0 | 108.8 | V131 V265 Q270 L273 Y274 L277 T287 V288 L289 L290 | V131-V267 HydrophobicContact CG2-CB 4.18Å; V131-V267 HydrophobicContact CG2-CG1 4.31Å; V131-V267 HydrophobicContact CG2-CG2 3.7Å; V131-V267 WeakPolarHBondContact O-CA 3.24Å; V265-V267 HydrophobicContact CG1-CG2 4.17Å; V267-Q270 HydrophobicContact CG1-CB 4.38Å; V267-Q270 WeakPolarHBondContact CG1-O 3.29Å; V267-L273 HydrophobicContact CG1-CB 4.25Å; V267-L273 HydrophobicContact CG1-CD2 4.07Å; V267-L273 HydrophobicContact CG1-CG 4.17Å; V267-Y274 HydrophobicContact CG2-CD2 4.33Å; V267-L277 HydrophobicContact CG2-CD1 4Å; V267-T287 HydrophobicContact CG2-CG2 3.83Å; V267-V288 PolarHBondContact N-O 2.91Å; V267-L289 HydrophobicContact CB-CD1 4.27Å; V267-L289 HydrophobicContact CG1-CD1 4.21Å; V267-L289 WeakPolarHBondContact O-CA 3.45Å; V267-L290 PolarHBondContact O-N 3.47Å |
| 268 | L | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 121.9 | 177.7 | -60.3 | -170.2 | 0 | 0 | 0 | 111.1 | V130 V131 V136 K138 V141 V266 Q270 L290 | V130-L268 HydrophobicContact CG1-CD1 4Å; V130-L268 HydrophobicContact CG1-CG 4.15Å; V131-L268 PolarHBondContact O-N 3.33Å; V136-L268 HydrophobicContact CB-CB 4.02Å; V136-L268 HydrophobicContact CG2-CB 3.61Å; V136-L268 HydrophobicContact CG2-CD1 4.21Å; K138-L268 HydrophobicContact CB-CD1 4.36Å; K138-L268 HydrophobicContact CG-CD1 3.95Å; V141-L268 HydrophobicContact CB-CD1 4.26Å; V141-L268 HydrophobicContact CG2-CD1 3.83Å; V141-L268 HydrophobicContact CG2-CD2 4.37Å; V266-L268 HydrophobicContact CG1-CD2 3.87Å; L268-Q270 VanDerWaalsContact C-N 3.29Å; L268-Q270 PolarHBondContact O-N 3.05Å; L268-Q270 VanDerWaalsContact O-N 3.16Å; L268-L290 WeakPolarHBondContact CA-O 3.3Å; L268-L290 HydrophobicContact CD2-CB 3.73Å; L268-L290 HydrophobicContact CD2-CD1 4.27Å; L268-L290 HydrophobicContact CD2-CG 4.5Å |
| 269 | D | 93.6 | Very high | 97.8 | Very high | 62 Ų | 62 | 49.3 Ų | 49.3 | 33% | 0.332 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 51.2 | 39.1 | 166.7 | -160.3 | 48.3 | 0 | 0 | 0 | 114.9 | V136 L290 K292 | V136-D269 HydrophobicContact CB-CB 4.3Å; V136-D269 HydrophobicContact CG1-CB 4Å; D269-L290 PolarHBondContact N-O 3.5Å; D269-K292 HydrophobicContact CB-CB 3.82Å; D269-K292 HydrophobicContact CB-CD 4.31Å; D269-K292 HydrophobicContact CB-CG 3.98Å; D269-K292 WeakPolarHBondContact OD2-CD 3.29Å; D269-K292 WeakPolarHBondContact OD2-CE 3.23Å; D269-K292 WeakPolarHBondContact OD2-CG 3.12Å; D269-K292 IonicContact OD2-NZ 3.25Å; D269-K292 PolarHBondContact OD2-NZ 3.01Å |
| 270 | Q | 95.6 | Very high | 97.8 | Very high | 58 Ų | 58 | 51.6 Ų | 51.6 | 27% | 0.271 | 23% | 0.232 | S | C | . | . | trans | -152.5 | 88.5 | -179.8 | -170.9 | 65.6 | -8.8 | 0 | 0 | 113.3 | P133 V267 L268 R272 L273 Y274 | P133-Q270 HydrophobicContact CG-CB 4.44Å; V267-Q270 HydrophobicContact CG1-CB 4.38Å; V267-Q270 WeakPolarHBondContact CG1-O 3.29Å; L268-Q270 VanDerWaalsContact C-N 3.29Å; L268-Q270 PolarHBondContact O-N 3.05Å; L268-Q270 VanDerWaalsContact O-N 3.16Å; Q270-R272 PolarHBondContact O-N 3.07Å; Q270-L273 HydrophobicContact CB-CB 4.04Å; Q270-L273 HydrophobicContact CG-CB 3.46Å; Q270-L273 VanDerWaalsContact CG-CB 3.46Å; Q270-L273 HydrophobicContact CG-CD2 4.43Å; Q270-L273 PolarHBondContact O-N 3.42Å; Q270-Y274 PolarHBondContact O-N 3.2Å | ||
| 271 | E | 96.9 | Very high | 97.7 | Very high | 137 Ų | 137 | 52.1 Ų | 52.1 | 64% | 0.64 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -60.7 | -40 | -177.2 | -67 | -172.7 | 168.4 | 0 | 0 | 114 | L273 Y274 N275 L289 | E271-L273 VanDerWaalsContact C-N 3.33Å; E271-L273 PolarHBondContact O-N 3.5Å; E271-Y274 WeakPolarHBondContact O-CB 3.5Å; E271-Y274 PolarHBondContact O-N 3.5Å; E271-N275 PolarHBondContact O-N 3.12Å; E271-N275 PolarHBondContact O-ND2 3.29Å; E271-N275 VanDerWaalsContact O-ND2 3.1Å; E271-L289 HydrophobicContact CG-CD2 3.9Å |
| 272 | R | 97.3 | Very high | 97.7 | Very high | 162 Ų | 162 | 51.1 Ų | 51.1 | 61% | 0.611 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -60.3 | -45.8 | 178.4 | 179.1 | 176.1 | 170.2 | 167.9 | 2.1 | 111.3 | Q270 Y274 N275 E276 | Q270-R272 PolarHBondContact O-N 3.07Å; R272-Y274 VanDerWaalsContact C-N 3.32Å; R272-Y274 PolarHBondContact O-N 3.3Å; R272-N275 PolarHBondContact O-N 3.17Å; R272-E276 HydrophobicContact CG-CG 4.5Å; R272-E276 IonicContact CZ-OE1 3.99Å; R272-E276 IonicContact NE-OE1 3.6Å; R272-E276 PolarHBondContact NE-OE1 3.16Å; R272-E276 IonicContact NH2-OE1 3.02Å; R272-E276 PolarHBondContact NH2-OE1 2.97Å; R272-E276 WeakPolarHBondContact O-CG 3.46Å; R272-E276 PolarHBondContact O-N 2.64Å |
| 273 | L | 97.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 177.7 | 178.3 | 62.9 | 0 | 0 | 0 | 110.9 | V131 V245 Y250 L253 V267 Q270 E271 N275 E276 L277 | V131-L273 HydrophobicContact CB-CD2 4.38Å; V131-L273 HydrophobicContact CG2-CD2 4.05Å; V245-L273 HydrophobicContact CB-CD1 4.31Å; V245-L273 HydrophobicContact CB-CD2 3.93Å; V245-L273 HydrophobicContact CG1-CD2 3.7Å; Y250-L273 HydrophobicContact CD2-CD1 3.77Å; Y250-L273 HydrophobicContact CE2-CD1 4Å; L253-L273 HydrophobicContact CD1-CD1 4.21Å; V267-L273 HydrophobicContact CG1-CB 4.25Å; V267-L273 HydrophobicContact CG1-CD2 4.07Å; V267-L273 HydrophobicContact CG1-CG 4.17Å; Q270-L273 HydrophobicContact CB-CB 4.04Å; Q270-L273 HydrophobicContact CG-CB 3.46Å; Q270-L273 VanDerWaalsContact CG-CB 3.46Å; Q270-L273 HydrophobicContact CG-CD2 4.43Å; Q270-L273 PolarHBondContact O-N 3.42Å; E271-L273 VanDerWaalsContact C-N 3.33Å; E271-L273 PolarHBondContact O-N 3.5Å; L273-N275 PolarHBondContact O-N 3.16Å; L273-E276 PolarHBondContact O-N 2.76Å; L273-L277 HydrophobicContact CD1-CD1 3.81Å; L273-L277 HydrophobicContact CD1-CG 3.99Å; L273-L277 HydrophobicContact CD2-CD1 4.46Å; L273-L277 HydrophobicContact CG-CD1 3.77Å; L273-L277 HydrophobicContact CG-CG 4.36Å; L273-L277 WeakPolarHBondContact O-CB 3.49Å; L273-L277 WeakPolarHBondContact O-CG 3.17Å; L273-L277 PolarHBondContact O-N 2.72Å |
| 274 | Y | 98.4 | Very high | 97.4 | Very high | 43 Ų | 43 | 65.6 Ų | 65.6 | 17% | 0.169 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.6 | -49.6 | 174.3 | 168.2 | -92.3 | 0 | 0 | 0 | 112 | V267 Q270 E271 R272 L277 K278 T287 L289 | V267-Y274 HydrophobicContact CG2-CD2 4.33Å; Q270-Y274 PolarHBondContact O-N 3.2Å; E271-Y274 WeakPolarHBondContact O-CB 3.5Å; E271-Y274 PolarHBondContact O-N 3.5Å; R272-Y274 VanDerWaalsContact C-N 3.32Å; R272-Y274 PolarHBondContact O-N 3.3Å; Y274-L277 PolarHBondContact O-N 2.99Å; Y274-K278 HydrophobicContact CE1-CD 3.94Å; Y274-K278 VanDerWaalsContact O-CB 3.22Å; Y274-K278 WeakPolarHBondContact O-CB 3.16Å; Y274-K278 PolarHBondContact O-N 2.88Å; Y274-K278 PolarHBondContact OH-NZ 3.42Å; Y274-K278 VanDerWaalsContact OH-NZ 3.15Å; Y274-T287 HydrophobicContact CD2-CG2 3.57Å; Y274-T287 HydrophobicContact CE2-CG2 3.76Å; Y274-T287 WeakPolarHBondContact CE2-O 3.42Å; Y274-L289 HydrophobicContact CD2-CB 3.69Å; Y274-L289 HydrophobicContact CE2-CB 4.05Å; Y274-L289 HydrophobicContact CG-CB 4.1Å |
| 275 | N | 98.1 | Very high | 97.4 | Very high | 96 Ų | 96 | 65.9 Ų | 65.9 | 51% | 0.513 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.1 | -39.5 | -179.6 | -71 | -45 | 0 | 0 | 0 | 112.2 | E271 R272 L273 R279 | E271-N275 PolarHBondContact O-N 3.12Å; E271-N275 PolarHBondContact O-ND2 3.29Å; E271-N275 VanDerWaalsContact O-ND2 3.1Å; R272-N275 PolarHBondContact O-N 3.17Å; L273-N275 PolarHBondContact O-N 3.16Å; N275-R279 WeakPolarHBondContact O-CB 3.33Å; N275-R279 PolarHBondContact O-N 3.31Å; N275-R279 VanDerWaalsContact O-N 3.13Å |
| 276 | E | 97.9 | Very high | 97.3 | Very high | 40 Ų | 40 | 73 Ų | 73 | 19% | 0.187 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.3 | -49.4 | 175.2 | -73.5 | 169.7 | 171.3 | 0 | 0 | 111 | Y250 R272 L273 R279 D280 | Y250-E276 HydrophobicContact CE2-CB 3.77Å; Y250-E276 PolarHBondContact OH-O 3.33Å; Y250-E276 VanDerWaalsContact OH-O 3.14Å; R272-E276 HydrophobicContact CG-CG 4.5Å; R272-E276 IonicContact CZ-OE1 3.99Å; R272-E276 IonicContact NE-OE1 3.6Å; R272-E276 PolarHBondContact NE-OE1 3.16Å; R272-E276 IonicContact NH2-OE1 3.02Å; R272-E276 PolarHBondContact NH2-OE1 2.97Å; R272-E276 WeakPolarHBondContact O-CG 3.46Å; R272-E276 PolarHBondContact O-N 2.64Å; L273-E276 PolarHBondContact O-N 2.76Å; E276-R279 PolarHBondContact O-N 3.44Å; E276-D280 WeakPolarHBondContact O-CB 3.38Å; E276-D280 PolarHBondContact O-N 2.94Å |
| 277 | L | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 178.7 | -70.8 | 169.5 | 0 | 0 | 0 | 112.8 | V131 Y250 V254 V265 V267 L273 Y274 R279 D280 L281 T287 | V131-L277 HydrophobicContact CG2-CD1 3.67Å; Y250-L277 HydrophobicContact CE2-CD2 3.77Å; Y250-L277 HydrophobicContact CE2-CG 4.02Å; V254-L277 HydrophobicContact CG2-CD2 4.32Å; V265-L277 HydrophobicContact CG1-CD1 4.06Å; V267-L277 HydrophobicContact CG2-CD1 4Å; L273-L277 HydrophobicContact CD1-CD1 3.81Å; L273-L277 HydrophobicContact CD1-CG 3.99Å; L273-L277 HydrophobicContact CD2-CD1 4.46Å; L273-L277 HydrophobicContact CG-CD1 3.77Å; L273-L277 HydrophobicContact CG-CG 4.36Å; L273-L277 WeakPolarHBondContact O-CB 3.49Å; L273-L277 WeakPolarHBondContact O-CG 3.17Å; L273-L277 PolarHBondContact O-N 2.72Å; Y274-L277 PolarHBondContact O-N 2.99Å; L277-R279 PolarHBondContact O-N 2.92Å; L277-D280 PolarHBondContact O-N 2.9Å; L277-L281 HydrophobicContact CB-CD1 4.09Å; L277-L281 HydrophobicContact CD2-CD1 4.15Å; L277-L281 HydrophobicContact CD2-CG 4.37Å; L277-L281 WeakPolarHBondContact O-CB 3.47Å; L277-L281 VanDerWaalsContact O-CG 3.27Å; L277-L281 WeakPolarHBondContact O-CG 3.45Å; L277-L281 PolarHBondContact O-N 2.77Å; L277-T287 HydrophobicContact CB-CG2 4.49Å |
| 278 | K | 97.2 | Very high | 97.3 | Very high | 117 Ų | 117 | 76.6 Ų | 76.6 | 51% | 0.509 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64 | -30.1 | 176.5 | -173.7 | 177.2 | -174.9 | 175.4 | 0 | 112.7 | Y274 | Y274-K278 HydrophobicContact CE1-CD 3.94Å; Y274-K278 VanDerWaalsContact O-CB 3.22Å; Y274-K278 WeakPolarHBondContact O-CB 3.16Å; Y274-K278 PolarHBondContact O-N 2.88Å; Y274-K278 PolarHBondContact OH-NZ 3.42Å; Y274-K278 VanDerWaalsContact OH-NZ 3.15Å |
| 279 | R | 97.4 | Very high | 97.3 | Very high | 170 Ų | 170 | 79.7 Ų | 79.7 | 64% | 0.642 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -77.8 | -43.3 | 176.4 | -176.3 | -169.4 | 66.7 | -151.5 | -9.3 | 111.9 | N275 E276 L277 | N275-R279 WeakPolarHBondContact O-CB 3.33Å; N275-R279 PolarHBondContact O-N 3.31Å; N275-R279 VanDerWaalsContact O-N 3.13Å; E276-R279 PolarHBondContact O-N 3.44Å; L277-R279 PolarHBondContact O-N 2.92Å |
| 280 | D | 97.6 | Very high | 97.5 | Very high | 70 Ų | 70 | 77.1 Ų | 77.1 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -95.9 | -19 | -166.7 | -62.4 | -14.4 | 0 | 0 | 0 | 113.5 | Y250 E276 L277 | Y250-D280 VanDerWaalsContact OH-CB 3.3Å; Y250-D280 WeakPolarHBondContact OH-CB 3.27Å; Y250-D280 PolarHBondContact OH-OD2 3.5Å; E276-D280 WeakPolarHBondContact O-CB 3.38Å; E276-D280 PolarHBondContact O-N 2.94Å; L277-D280 PolarHBondContact O-N 2.9Å |
| 281 | L | 97.9 | Very high | 97.5 | Very high | 13 Ų | 13 | 77.1 Ų | 77.1 | 7% | 0.068 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -84.2 | 153.1 | 173.1 | -64.7 | 176.3 | 0 | 0 | 0 | 111.8 | A257 V265 L277 V285 | A257-L281 HydrophobicContact CB-CD2 3.65Å; V265-L281 HydrophobicContact CB-CD1 4.46Å; V265-L281 HydrophobicContact CG2-CD1 3.73Å; L277-L281 HydrophobicContact CB-CD1 4.09Å; L277-L281 HydrophobicContact CD2-CD1 4.15Å; L277-L281 HydrophobicContact CD2-CG 4.37Å; L277-L281 WeakPolarHBondContact O-CB 3.47Å; L277-L281 VanDerWaalsContact O-CG 3.27Å; L277-L281 WeakPolarHBondContact O-CG 3.45Å; L277-L281 PolarHBondContact O-N 2.77Å; L281-V285 HydrophobicContact CB-CB 4.34Å; L281-V285 HydrophobicContact CD1-CG1 4.12Å |
| 282 | P | 97.6 | Very high | 97.4 | Very high | 65 Ų | 65 | 74.6 Ų | 74.6 | 42% | 0.422 | 35% | 0.345 | S | S | . | . | trans | -56 | 145.5 | 176 | -24.7 | 33.9 | 0 | 0 | 0 | 112.9 | F284 V285 | P282-F284 HydrophobicContact CB-CD1 3.53Å; P282-F284 HydrophobicContact CB-CE1 3.21Å; P282-F284 HydrophobicContact CB-CG 4.36Å; P282-F284 HydrophobicContact CB-CZ 3.81Å; P282-F284 HydrophobicContact CG-CE1 3.81Å; P282-F284 HydrophobicContact CG-CZ 4.04Å; P282-F284 PolarHBondContact O-N 3.01Å; P282-V285 HydrophobicContact CB-CG2 4.25Å; P282-V285 HydrophobicContact CG-CG2 4.4Å; P282-V285 WeakPolarHBondContact O-CB 3.35Å; P282-V285 PolarHBondContact O-N 2.82Å | ||
| 283 | H | 94.8 | Very high | 97.2 | Very high | 196 Ų | 196 | 67.7 Ų | 67.7 | 91% | 0.907 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -21.9 | -176.2 | -66.6 | -51.4 | 0 | 0 | 0 | 115.3 | V285 | H283-V285 VanDerWaalsContact C-N 3.3Š|
| 284 | F | 95.8 | Very high | 96.9 | Very high | 139 Ų | 139 | 70.2 Ų | 70.2 | 61% | 0.61 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -20.8 | 176.5 | 67.8 | -101.1 | 0 | 0 | 0 | 112.7 | P282 R286 | P282-F284 HydrophobicContact CB-CD1 3.53Å; P282-F284 HydrophobicContact CB-CE1 3.21Å; P282-F284 HydrophobicContact CB-CG 4.36Å; P282-F284 HydrophobicContact CB-CZ 3.81Å; P282-F284 HydrophobicContact CG-CE1 3.81Å; P282-F284 HydrophobicContact CG-CZ 4.04Å; P282-F284 PolarHBondContact O-N 3.01Å; F284-R286 PolarHBondContact O-N 2.84Å |
| 285 | V | 98.3 | Very high | 96.4 | Very high | 13 Ų | 13 | 69.5 Ų | 69.5 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -75.1 | 120.2 | 178.9 | -175 | 0 | 0 | 0 | 0 | 109.2 | V262 V265 L281 P282 H283 T287 | V262-V285 HydrophobicContact CG2-CG1 4.09Å; V262-V285 WeakPolarHBondContact O-CG2 3.33Å; V265-V285 HydrophobicContact CG2-CG1 3.81Å; L281-V285 HydrophobicContact CB-CB 4.34Å; L281-V285 HydrophobicContact CD1-CG1 4.12Å; P282-V285 HydrophobicContact CB-CG2 4.25Å; P282-V285 HydrophobicContact CG-CG2 4.4Å; P282-V285 WeakPolarHBondContact O-CB 3.35Å; P282-V285 PolarHBondContact O-N 2.82Å; H283-V285 VanDerWaalsContact C-N 3.3Å; V285-T287 PolarHBondContact O-N 3.33Å |
| 286 | R | 98.3 | Very high | 96 | Very high | 151 Ų | 151 | 67 Ų | 67 | 57% | 0.57 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 107.3 | -179.3 | -62.1 | 178.7 | -175.9 | 168.8 | 1.1 | 110.1 | D263 V264 V265 F284 | D263-R286 PolarHBondContact O-N 2.78Å; V264-R286 CarbonylContact C-O 3.35Å; V264-R286 WeakPolarHBondContact CA-O 3.49Å; V264-R286 HydrophobicContact CG2-CB 4.36Å; V265-R286 PolarHBondContact N-O 2.81Å; F284-R286 PolarHBondContact O-N 2.84Å |
| 287 | T | 98.1 | Very high | 95.6 | Very high | 23 Ų | 23 | 67.3 Ų | 67.3 | 14% | 0.141 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 123.3 | 174.4 | -47.4 | 0 | 0 | 0 | 0 | 110.7 | V265 V267 Y274 L277 V285 | V265-T287 HydrophobicContact CB-CG2 4.47Å; V265-T287 CarbonylContact O-C 3.54Å; V265-T287 WeakPolarHBondContact O-CA 3.47Å; V267-T287 HydrophobicContact CG2-CG2 3.83Å; Y274-T287 HydrophobicContact CD2-CG2 3.57Å; Y274-T287 HydrophobicContact CE2-CG2 3.76Å; Y274-T287 WeakPolarHBondContact CE2-O 3.42Å; L277-T287 HydrophobicContact CB-CG2 4.49Å; V285-T287 PolarHBondContact O-N 3.33Å |
| 288 | V | 98 | Very high | 95.1 | Very high | 51 Ų | 51 | 75.3 Ų | 75.3 | 31% | 0.309 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 130.9 | -179.7 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | V265 V267 L290 | V265-V288 PolarHBondContact O-N 2.89Å; V267-V288 PolarHBondContact N-O 2.91Å; V288-L290 HydrophobicContact CG1-CD2 3.86Å; V288-L290 HydrophobicContact CG1-CG 4.15Å |
| 289 | L | 98.3 | Very high | 94.7 | Very high | 65 Ų | 65 | 74.6 Ų | 74.6 | 34% | 0.34 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 126.2 | 171.8 | 179.5 | 65.9 | 0 | 0 | 0 | 109 | V267 E271 Y274 | V267-L289 HydrophobicContact CB-CD1 4.27Å; V267-L289 HydrophobicContact CG1-CD1 4.21Å; V267-L289 WeakPolarHBondContact O-CA 3.45Å; E271-L289 HydrophobicContact CG-CD2 3.9Å; Y274-L289 HydrophobicContact CD2-CB 3.69Å; Y274-L289 HydrophobicContact CE2-CB 4.05Å; Y274-L289 HydrophobicContact CG-CB 4.1Å |
| 290 | L | 97.9 | Very high | 94.3 | Very high | 8 Ų | 8 | 69.7 Ų | 69.7 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 143.5 | 173.4 | -58.1 | 179.3 | 0 | 0 | 0 | 110.1 | L103 Y104 V266 V267 L268 D269 V288 | L103-L290 HydrophobicContact CB-CD2 4.15Å; Y104-L290 HydrophobicContact CD1-CD1 3.93Å; Y104-L290 HydrophobicContact CE1-CB 4.44Å; Y104-L290 HydrophobicContact CE1-CD1 4.04Å; V266-L290 HydrophobicContact CG1-CD1 3.43Å; V266-L290 VanDerWaalsContact CG1-CD1 3.43Å; V266-L290 HydrophobicContact CG1-CG 3.96Å; V267-L290 PolarHBondContact O-N 3.47Å; L268-L290 WeakPolarHBondContact CA-O 3.3Å; L268-L290 HydrophobicContact CD2-CB 3.73Å; L268-L290 HydrophobicContact CD2-CD1 4.27Å; L268-L290 HydrophobicContact CD2-CG 4.5Å; D269-L290 PolarHBondContact N-O 3.5Å; V288-L290 HydrophobicContact CG1-CD2 3.86Å; V288-L290 HydrophobicContact CG1-CG 4.15Å |
| 291 | P | 96.4 | Very high | 94 | Very high | 58 Ų | 58 | 74.9 Ų | 74.9 | 38% | 0.377 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 152.7 | 172.7 | 31.4 | -35 | 0 | 0 | 0 | 110.4 | P100 L103 Y104 | P100-P291 HydrophobicContact CB-CG 4.02Å; L103-P291 HydrophobicContact CD1-CG 3.69Å; Y104-P291 PolarHBondContact OH-O 3.44Å |
| 292 | K | 93.9 | Very high | 93.7 | Very high | 85 Ų | 85 | 78.8 Ų | 78.8 | 37% | 0.37 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 153.8 | 165.6 | 67.9 | 176.1 | 175.3 | -132.7 | 0 | 110 | V136 D269 | V136-K292 HydrophobicContact CB-CB 4.29Å; D269-K292 HydrophobicContact CB-CB 3.82Å; D269-K292 HydrophobicContact CB-CD 4.31Å; D269-K292 HydrophobicContact CB-CG 3.98Å; D269-K292 WeakPolarHBondContact OD2-CD 3.29Å; D269-K292 WeakPolarHBondContact OD2-CE 3.23Å; D269-K292 WeakPolarHBondContact OD2-CG 3.12Å; D269-K292 IonicContact OD2-NZ 3.25Å; D269-K292 PolarHBondContact OD2-NZ 3.01Å |
| 293 | S | 94 | Very high | 93.4 | Very high | 17 Ų | 17 | 77.6 Ų | 77.6 | 12% | 0.119 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 139.4 | 167.6 | 172.5 | 0 | 0 | 0 | 0 | 109.9 | R35 G295 V296 | R35-S293 PolarHBondContact NH2-OG 2.66Å; S293-G295 PolarHBondContact O-N 2.84Å; S293-G295 VanDerWaalsContact O-N 3.11Å; S293-G295 PolarHBondContact OG-N 2.8Å; S293-G295 VanDerWaalsContact OG-N 3.12Å; S293-V296 WeakPolarHBondContact O-CB 3.47Å; S293-V296 WeakPolarHBondContact O-CG2 3.49Å; S293-V296 PolarHBondContact O-N 2.81Å |
| 294 | G | 90.3 | Very high | 93.3 | Very high | 54 Ų | 54 | 70.2 Ų | 70.2 | 56% | 0.557 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -9.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V296 | G294-V296 VanDerWaalsContact C-N 3.35Š|
| 295 | G | 88.9 | Confident | 93.2 | Very high | 28 Ų | 28 | 70.3 Ų | 70.3 | 29% | 0.289 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -0.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S293 | S293-G295 PolarHBondContact O-N 2.84Å; S293-G295 VanDerWaalsContact O-N 3.11Å; S293-G295 PolarHBondContact OG-N 2.8Å; S293-G295 VanDerWaalsContact OG-N 3.12Å |
| 296 | V | 90.4 | Very high | 92.9 | Very high | 43 Ų | 43 | 75.5 Ų | 75.5 | 26% | 0.261 | 38% | 0.382 | S | S | . | . | trans | -77.4 | 128 | 174.1 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | D135 S293 G294 | D135-V296 VanDerWaalsContact C-CG1 3.47Å; D135-V296 WeakPolarHBondContact O-CG1 3.24Å; S293-V296 WeakPolarHBondContact O-CB 3.47Å; S293-V296 WeakPolarHBondContact O-CG2 3.49Å; S293-V296 PolarHBondContact O-N 2.81Å; G294-V296 VanDerWaalsContact C-N 3.35Å | ||
| 297 | V | 87.9 | Confident | 92.6 | Very high | 48 Ų | 48 | 70.3 Ų | 70.3 | 29% | 0.291 | 37% | 0.368 | S | S | . | . | trans | -108.4 | 138.7 | -177.4 | -170.8 | 0 | 0 | 0 | 0 | 109.7 | E37 K73 | E37-V297 WeakPolarHBondContact OE1-CG2 3.32Å; K73-V297 HydrophobicContact CD-CB 3.98Å; K73-V297 HydrophobicContact CD-CG2 4.03Å | ||
| 298 | E | 87.6 | Confident | 92.5 | Very high | 167 Ų | 167 | 71.7 Ų | 71.7 | 78% | 0.78 | 37% | 0.371 | S | S | * | . | trans | -65.9 | 138.5 | 172.1 | -68.6 | -170.9 | 173.7 | 0 | 0 | 111 | ||||
| 299 | R | 88.9 | Confident | 92.3 | Very high | 102 Ų | 102 | 72 Ų | 72 | 39% | 0.385 | 37% | 0.371 | S | S | . | . | trans | -110.9 | 125 | -175.7 | -66.2 | 175.3 | -178.9 | -173.9 | 1.7 | 110.5 | D135 F303 R304 | D135-R299 PolarHBondContact OD2-N 2.86Å; R299-F303 HydrophobicContact CB-CD1 3.89Å; R299-F303 HydrophobicContact CG-CD1 3.74Å; R299-F303 HydrophobicContact CG-CE1 3.91Å; R299-R304 HydrophobicContact CB-CG 4.17Å | ||
| 300 | S | 90.6 | Very high | 92 | Very high | 67 Ų | 67 | 73.5 Ų | 73.5 | 47% | 0.469 | 38% | 0.376 | S | S | . | . | trans | -61.6 | 160.6 | 172.5 | 75.4 | 0 | 0 | 0 | 0 | 111.4 | D302 F303 R304 | S300-D302 PolarHBondContact O-N 2.84Å; S300-F303 PolarHBondContact O-N 2.84Å; S300-F303 WeakPolarHBondContact OG-CB 3.3Å; S300-F303 PolarHBondContact OG-N 3.33Å; S300-R304 WeakPolarHBondContact O-CG 3.3Å; S300-R304 PolarHBondContact O-N 3.44Å; S300-R304 VanDerWaalsContact O-N 3.16Å | ||
| 301 | K | 91.3 | Very high | 91.9 | Very high | 179 Ų | 179 | 76.4 Ų | 76.4 | 78% | 0.778 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.3 | -33.1 | 175.3 | -69.3 | -178 | -179.6 | 176.7 | 0 | 112 | R305 | K301-R305 PolarHBondContact O-N 3.27Å; K301-R305 VanDerWaalsContact O-N 3.11Å |
| 302 | D | 91.7 | Very high | 91.9 | Very high | 96 Ų | 96 | 73.7 Ų | 73.7 | 51% | 0.513 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -73.6 | -44.7 | -179.5 | -61.6 | -33.8 | 0 | 0 | 0 | 111.1 | S300 R304 R305 E306 | S300-D302 PolarHBondContact O-N 2.84Å; D302-R304 VanDerWaalsContact C-N 3.27Å; D302-R304 PolarHBondContact O-N 3.44Å; D302-R305 CarbonylContact O-C 3.56Å; D302-R305 WeakPolarHBondContact O-CA 3.31Å; D302-R305 VanDerWaalsContact O-CB 3.28Å; D302-R305 WeakPolarHBondContact O-CB 3.37Å; D302-R305 PolarHBondContact O-N 3.45Å; D302-E306 PolarHBondContact O-N 3.11Å |
| 303 | F | 90.1 | Very high | 92 | Very high | 40 Ų | 40 | 73.9 Ų | 73.9 | 18% | 0.175 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -55.6 | -43.4 | 172.4 | -178.6 | -92.4 | 0 | 0 | 0 | 111.6 | R299 S300 R305 E306 C307 | R299-F303 HydrophobicContact CB-CD1 3.89Å; R299-F303 HydrophobicContact CG-CD1 3.74Å; R299-F303 HydrophobicContact CG-CE1 3.91Å; S300-F303 PolarHBondContact O-N 2.84Å; S300-F303 WeakPolarHBondContact OG-CB 3.3Å; S300-F303 PolarHBondContact OG-N 3.33Å; F303-R305 VanDerWaalsContact C-N 3.27Å; F303-R305 PolarHBondContact O-N 2.97Å; F303-E306 PolarHBondContact O-N 3.35Å; F303-C307 WeakPolarHBondContact CE1-SG 3.39Å; F303-C307 PolarHBondContact O-N 2.9Å; F303-C307 PolarHBondContact O-SG 2.74Å |
| 304 | R | 93 | Very high | 92 | Very high | 40 Ų | 40 | 75.2 Ų | 75.2 | 15% | 0.151 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.3 | -33.6 | 175.6 | -69.6 | 173.8 | -176.3 | -82.2 | -3.4 | 112.6 | D135 Q165 R299 S300 D302 R308 | D135-R304 IonicContact OD1-CZ 3.32Å; D135-R304 IonicContact OD1-NH2 3.81Å; D135-R304 PolarHBondContact OD1-NH2 2.77Å; D135-R304 IonicContact OD2-CZ 3.69Å; D135-R304 IonicContact OD2-NH2 2.68Å; D135-R304 PolarHBondContact OD2-NH2 2.92Å; Q165-R304 PolarHBondContact NE2-O 3Å; R299-R304 HydrophobicContact CB-CG 4.17Å; S300-R304 WeakPolarHBondContact O-CG 3.3Å; S300-R304 PolarHBondContact O-N 3.44Å; S300-R304 VanDerWaalsContact O-N 3.16Å; D302-R304 VanDerWaalsContact C-N 3.27Å; D302-R304 PolarHBondContact O-N 3.44Å; R304-R308 WeakPolarHBondContact O-CG 3.31Å; R304-R308 PolarHBondContact O-N 3.36Å; R304-R308 PolarHBondContact O-NH1 3.16Å; R304-R308 VanDerWaalsContact O-NH1 3.07Å |
| 305 | R | 93.2 | Very high | 92.3 | Very high | 141 Ų | 141 | 75.4 Ų | 75.4 | 53% | 0.532 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.8 | -48.7 | 176.4 | -172.6 | -166 | -58.2 | -128.4 | 4.2 | 110.1 | K301 D302 F303 C307 R308 D309 | K301-R305 PolarHBondContact O-N 3.27Å; K301-R305 VanDerWaalsContact O-N 3.11Å; D302-R305 CarbonylContact O-C 3.56Å; D302-R305 WeakPolarHBondContact O-CA 3.31Å; D302-R305 VanDerWaalsContact O-CB 3.28Å; D302-R305 WeakPolarHBondContact O-CB 3.37Å; D302-R305 PolarHBondContact O-N 3.45Å; F303-R305 VanDerWaalsContact C-N 3.27Å; F303-R305 PolarHBondContact O-N 2.97Å; R305-C307 VanDerWaalsContact C-N 3.33Å; R305-C307 PolarHBondContact O-N 2.9Å; R305-R308 WeakPolarHBondContact O-CA 3.39Å; R305-R308 WeakPolarHBondContact O-CB 3.14Å; R305-R308 PolarHBondContact O-N 3.07Å; R305-D309 PolarHBondContact O-N 2.72Å |
| 306 | E | 92.1 | Very high | 92.7 | Very high | 123 Ų | 123 | 74 Ų | 74 | 58% | 0.575 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -57.7 | -44.6 | 176.4 | -69 | 169 | -177.6 | 0 | 0 | 111.6 | D302 F303 R308 D309 E310 | D302-E306 PolarHBondContact O-N 3.11Å; F303-E306 PolarHBondContact O-N 3.35Å; E306-R308 VanDerWaalsContact C-N 3.27Å; E306-R308 PolarHBondContact O-N 3.26Å; E306-D309 PolarHBondContact O-N 2.91Å; E306-E310 WeakPolarHBondContact O-CB 3.49Å; E306-E310 PolarHBondContact O-N 3.24Å |
| 307 | C | 92.1 | Very high | 92.9 | Very high | 42 Ų | 42 | 74.6 Ų | 74.6 | 28% | 0.284 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.3 | -33.5 | 174.6 | -67.4 | 0 | 0 | 0 | 0 | 113.4 | F303 R305 R311 | F303-C307 WeakPolarHBondContact CE1-SG 3.39Å; F303-C307 PolarHBondContact O-N 2.9Å; F303-C307 PolarHBondContact O-SG 2.74Å; R305-C307 VanDerWaalsContact C-N 3.33Å; R305-C307 PolarHBondContact O-N 2.9Å; C307-R311 WeakPolarHBondContact O-CB 3.41Å; C307-R311 PolarHBondContact O-N 3.06Å |
| 308 | R | 95.2 | Very high | 93.2 | Very high | 51 Ų | 51 | 72.6 Ų | 72.6 | 19% | 0.192 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.6 | -44.9 | 175.2 | -77 | -169 | -59.1 | -82.8 | 3.5 | 110.9 | G164 P171 R304 R305 E306 E310 R311 I312 | G164-R308 VanDerWaalsContact O-CD 3.3Å; G164-R308 WeakPolarHBondContact O-CD 3.36Å; G164-R308 VanDerWaalsContact O-CG 3.31Å; G164-R308 WeakPolarHBondContact O-CG 3.47Å; P171-R308 HydrophobicContact CB-CB 4.32Å; P171-R308 HydrophobicContact CB-CG 3.85Å; P171-R308 HydrophobicContact CG-CB 3.62Å; P171-R308 HydrophobicContact CG-CG 3.5Å; R304-R308 WeakPolarHBondContact O-CG 3.31Å; R304-R308 PolarHBondContact O-N 3.36Å; R304-R308 PolarHBondContact O-NH1 3.16Å; R304-R308 VanDerWaalsContact O-NH1 3.07Å; R305-R308 WeakPolarHBondContact O-CA 3.39Å; R305-R308 WeakPolarHBondContact O-CB 3.14Å; R305-R308 PolarHBondContact O-N 3.07Å; E306-R308 VanDerWaalsContact C-N 3.27Å; E306-R308 PolarHBondContact O-N 3.26Å; R308-E310 VanDerWaalsContact C-N 3.34Å; R308-R311 PolarHBondContact O-N 3.48Å; R308-I312 WeakPolarHBondContact O-CD1 3.5Å; R308-I312 VanDerWaalsContact O-CG1 3.31Å; R308-I312 WeakPolarHBondContact O-CG1 3.12Å; R308-I312 PolarHBondContact O-N 3.2Å |
| 309 | D | 94.5 | Very high | 93.3 | Very high | 57 Ų | 57 | 66.6 Ų | 66.6 | 31% | 0.305 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | -179.9 | -63.4 | -15.4 | 0 | 0 | 0 | 110.5 | R305 E306 I312 R313 | R305-D309 PolarHBondContact O-N 2.72Å; E306-D309 PolarHBondContact O-N 2.91Å; D309-I312 PolarHBondContact O-N 2.85Å; D309-R313 WeakPolarHBondContact O-CB 3.23Å; D309-R313 PolarHBondContact O-N 3.48Å |
| 310 | E | 92.6 | Very high | 93.3 | Very high | 98 Ų | 98 | 67.9 Ų | 67.9 | 46% | 0.458 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 174.4 | -169.8 | 57.5 | -144.5 | 0 | 0 | 111.8 | E306 R308 I312 R313 E314 | E306-E310 WeakPolarHBondContact O-CB 3.49Å; E306-E310 PolarHBondContact O-N 3.24Å; R308-E310 VanDerWaalsContact C-N 3.34Å; E310-I312 VanDerWaalsContact C-N 3.29Å; E310-I312 PolarHBondContact O-N 3.11Å; E310-R313 WeakPolarHBondContact O-CB 3.41Å; E310-R313 PolarHBondContact O-N 3.06Å; E310-R313 VanDerWaalsContact O-N 3.16Å; E310-R313 IonicContact OE2-CZ 3.92Å; E310-R313 IonicContact OE2-NH1 3.67Å; E310-R313 PolarHBondContact OE2-NH1 2.92Å; E310-E314 WeakPolarHBondContact O-CB 3.1Å; E310-E314 PolarHBondContact O-N 2.88Å |
| 311 | R | 94.7 | Very high | 93.3 | Very high | 69 Ų | 69 | 66.7 Ų | 66.7 | 26% | 0.26 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.5 | -37.1 | 176.5 | -174.7 | 62.3 | 68.1 | -179.1 | 8.8 | 112.3 | C307 R308 E314 Y315 | C307-R311 WeakPolarHBondContact O-CB 3.41Å; C307-R311 PolarHBondContact O-N 3.06Å; R308-R311 PolarHBondContact O-N 3.48Å; R311-E314 IonicContact CZ-OE2 3.97Å; R311-E314 IonicContact NE-OE2 3.61Å; R311-E314 IonicContact NH1-OE1 3.47Å; R311-E314 IonicContact NH1-OE2 2.71Å; R311-E314 PolarHBondContact NH1-OE2 3.37Å; R311-Y315 PolarHBondContact O-N 2.77Å; R311-Y315 VanDerWaalsContact O-N 3.14Å |
| 312 | I | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.6 | -41.9 | 175.4 | -62.8 | 159.3 | 0 | 0 | 0 | 110.1 | I170 P171 R308 D309 E310 Y315 F316 L376 I430 F432 | I170-I312 HydrophobicContact CB-CG1 4.33Å; I170-I312 HydrophobicContact CG2-CG1 4.43Å; P171-I312 HydrophobicContact CG-CG1 4.43Å; R308-I312 WeakPolarHBondContact O-CD1 3.5Å; R308-I312 VanDerWaalsContact O-CG1 3.31Å; R308-I312 WeakPolarHBondContact O-CG1 3.12Å; R308-I312 PolarHBondContact O-N 3.2Å; D309-I312 PolarHBondContact O-N 2.85Å; E310-I312 VanDerWaalsContact C-N 3.29Å; E310-I312 PolarHBondContact O-N 3.11Å; I312-Y315 WeakPolarHBondContact O-CB 3.48Å; I312-Y315 PolarHBondContact O-N 2.88Å; I312-F316 HydrophobicContact CG2-CD2 4.09Å; I312-F316 HydrophobicContact CG2-CE2 3.81Å; I312-F316 VanDerWaalsContact O-CD2 3.27Å; I312-F316 WeakPolarHBondContact O-CD2 3.34Å; I312-F316 PolarHBondContact O-N 2.86Å; I312-L376 HydrophobicContact CD1-CD1 3.82Å; I312-L376 HydrophobicContact CG1-CD1 4.11Å; I312-L376 HydrophobicContact CG2-CD1 4.09Å; I312-L376 HydrophobicContact CG2-CD2 4.26Å; I312-I430 HydrophobicContact CD1-CG2 3.85Å; I312-F432 HydrophobicContact CB-CD2 3.94Å; I312-F432 HydrophobicContact CB-CE2 4.34Å; I312-F432 HydrophobicContact CB-CG 4.42Å; I312-F432 HydrophobicContact CG2-CB 3.83Å; I312-F432 HydrophobicContact CG2-CD1 4.07Å; I312-F432 HydrophobicContact CG2-CD2 3.5Å; I312-F432 HydrophobicContact CG2-CE2 4.03Å; I312-F432 HydrophobicContact CG2-CG 3.52Å |
| 313 | R | 95.7 | Very high | 93.5 | Very high | 90 Ų | 90 | 62.5 Ų | 62.5 | 34% | 0.34 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.6 | -50 | 175.5 | -177.1 | -178.8 | -68.8 | 111.6 | 3.8 | 111.3 | D309 E310 Y315 F316 Y317 F432 | D309-R313 WeakPolarHBondContact O-CB 3.23Å; D309-R313 PolarHBondContact O-N 3.48Å; E310-R313 WeakPolarHBondContact O-CB 3.41Å; E310-R313 PolarHBondContact O-N 3.06Å; E310-R313 VanDerWaalsContact O-N 3.16Å; E310-R313 IonicContact OE2-CZ 3.92Å; E310-R313 IonicContact OE2-NH1 3.67Å; E310-R313 PolarHBondContact OE2-NH1 2.92Å; R313-Y315 PolarHBondContact O-N 2.85Å; R313-F316 PolarHBondContact O-N 2.83Å; R313-F316 VanDerWaalsContact O-N 3.09Å; R313-Y317 HydrophobicContact CG-CD2 3.86Å; R313-Y317 WeakPolarHBondContact O-CB 3.46Å; R313-Y317 WeakPolarHBondContact O-CD2 3.25Å; R313-Y317 PolarHBondContact O-N 3.27Å; R313-F432 HydrophobicContact CB-CE2 4.25Å; R313-F432 HydrophobicContact CB-CZ 4.36Å |
| 314 | E | 94.6 | Very high | 93.7 | Very high | 44 Ų | 44 | 69.7 Ų | 69.7 | 21% | 0.206 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.3 | -35.2 | 176.7 | -169.4 | -170.1 | 175.5 | 0 | 0 | 111.8 | E310 R311 F316 G318 | E310-E314 WeakPolarHBondContact O-CB 3.1Å; E310-E314 PolarHBondContact O-N 2.88Å; R311-E314 IonicContact CZ-OE2 3.97Å; R311-E314 IonicContact NE-OE2 3.61Å; R311-E314 IonicContact NH1-OE1 3.47Å; R311-E314 IonicContact NH1-OE2 2.71Å; R311-E314 PolarHBondContact NH1-OE2 3.37Å; E314-F316 PolarHBondContact O-N 2.93Å; E314-G318 WeakPolarHBondContact O-CA 3.37Å; E314-G318 PolarHBondContact O-N 2.8Å |
| 315 | Y | 96.4 | Very high | 93.9 | Very high | 58 Ų | 58 | 69.1 Ų | 69.1 | 23% | 0.227 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 175.3 | 174.7 | -97.1 | 0 | 0 | 0 | 113.1 | I170 R311 I312 R313 G396 F397 P415 | I170-Y315 HydrophobicContact CG2-CD1 4.15Å; I170-Y315 HydrophobicContact CG2-CD2 4.03Å; I170-Y315 HydrophobicContact CG2-CG 3.62Å; R311-Y315 PolarHBondContact O-N 2.77Å; R311-Y315 VanDerWaalsContact O-N 3.14Å; I312-Y315 WeakPolarHBondContact O-CB 3.48Å; I312-Y315 PolarHBondContact O-N 2.88Å; R313-Y315 PolarHBondContact O-N 2.85Å; Y315-G396 VanDerWaalsContact OH-CA 3.23Å; Y315-G396 WeakPolarHBondContact OH-CA 3.45Å; Y315-F397 HydrophobicContact CE1-CB 3.79Å; Y315-F397 HydrophobicContact CE1-CD2 4.15Å; Y315-F397 HydrophobicContact CE1-CG 4.49Å; Y315-F397 AromaticContact CE2-CD2 3.97Å; Y315-F397 HydrophobicContact CE2-CD2 3.97Å; Y315-F397 AromaticContact CZ-CD2 3.72Å; Y315-F397 PolarHBondContact OH-N 2.89Å; Y315-P415 HydrophobicContact CE1-CG 3.98Å |
| 316 | F | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -84.9 | -37.9 | -179.1 | -71 | -73 | 0 | 0 | 0 | 113.3 | I312 R313 E314 P325 L376 V399 L413 F432 | I312-F316 HydrophobicContact CG2-CD2 4.09Å; I312-F316 HydrophobicContact CG2-CE2 3.81Å; I312-F316 VanDerWaalsContact O-CD2 3.27Å; I312-F316 WeakPolarHBondContact O-CD2 3.34Å; I312-F316 PolarHBondContact O-N 2.86Å; R313-F316 PolarHBondContact O-N 2.83Å; R313-F316 VanDerWaalsContact O-N 3.09Å; E314-F316 PolarHBondContact O-N 2.93Å; F316-P325 HydrophobicContact CB-CB 4.35Å; F316-P325 HydrophobicContact CB-CG 4.39Å; F316-P325 WeakPolarHBondContact O-CD 3.23Å; F316-L376 HydrophobicContact CE2-CD2 3.89Å; F316-L376 HydrophobicContact CZ-CD2 3.93Å; F316-V399 HydrophobicContact CE1-CG1 4.49Å; F316-V399 HydrophobicContact CE2-CG1 4.16Å; F316-V399 HydrophobicContact CZ-CB 4.24Å; F316-V399 HydrophobicContact CZ-CG1 3.93Å; F316-L413 HydrophobicContact CB-CD2 4.25Å; F316-L413 HydrophobicContact CD1-CD2 4.09Å; F316-L413 HydrophobicContact CD1-CG 4.18Å; F316-L413 HydrophobicContact CD2-CD2 4.44Å; F316-L413 HydrophobicContact CG-CD2 4.01Å; F316-F432 HydrophobicContact CD2-CE1 4.35Å; F316-F432 HydrophobicContact CE2-CD1 4.48Å |
| 317 | Y | 96 | Very high | 94.3 | Very high | 55 Ų | 55 | 63.9 Ų | 63.9 | 22% | 0.216 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -106.3 | -5.4 | -170.5 | -65.8 | -74.7 | 0 | 0 | 0 | 113.4 | R313 G321 C322 F323 P325 L413 D434 | R313-Y317 HydrophobicContact CG-CD2 3.86Å; R313-Y317 WeakPolarHBondContact O-CB 3.46Å; R313-Y317 WeakPolarHBondContact O-CD2 3.25Å; R313-Y317 PolarHBondContact O-N 3.27Å; Y317-G321 CarbonylContact O-C 3.57Å; Y317-G321 WeakPolarHBondContact O-CA 3.27Å; Y317-G321 PolarHBondContact O-N 3.24Å; Y317-C322 PolarHBondContact O-N 3.28Å; Y317-F323 PolarHBondContact O-N 3.28Å; Y317-P325 HydrophobicContact CD1-CG 3.69Å; Y317-P325 HydrophobicContact CE1-CG 3.33Å; Y317-P325 HydrophobicContact CG-CG 4.43Å; Y317-L413 HydrophobicContact CE2-CD2 4.39Å; Y317-D434 WeakPolarHBondContact CE2-OD1 3.37Å; Y317-D434 PolarHBondContact OH-OD1 3.14Å; Y317-D434 PolarHBondContact OH-OD2 3.48Å |
| 318 | G | 93.6 | Very high | 94.5 | Very high | 5 Ų | 5 | 63.2 Ų | 63.2 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | trans | 70.9 | 170.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E314 R320 G321 F323 | E314-G318 WeakPolarHBondContact O-CA 3.37Å; E314-G318 PolarHBondContact O-N 2.8Å; G318-R320 PolarHBondContact O-N 2.94Å; G318-G321 PolarHBondContact O-N 3.02Å; G318-F323 VanDerWaalsContact CA-CE2 3.5Å; G318-F323 VanDerWaalsContact N-CD2 3.27Å | ||
| 319 | F | 90.4 | Very high | 94.6 | Very high | 41 Ų | 41 | 65.7 Ų | 65.7 | 18% | 0.18 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -59.8 | 124.8 | 172.6 | -178.5 | -109.3 | 0 | 0 | 0 | 109.6 | E186 E187 G321 C322 | E186-F319 HydrophobicContact CB-CE1 4.26Å; E186-F319 HydrophobicContact CB-CZ 3.77Å; E187-F319 HydrophobicContact CG-CB 4.13Å; E187-F319 HydrophobicContact CG-CD1 3.44Å; E187-F319 VanDerWaalsContact CG-CD1 3.44Å; E187-F319 HydrophobicContact CG-CD2 4.04Å; E187-F319 HydrophobicContact CG-CE1 3.74Å; E187-F319 HydrophobicContact CG-CE2 4.32Å; E187-F319 HydrophobicContact CG-CG 3.6Å; E187-F319 HydrophobicContact CG-CZ 4.19Å; E187-F319 WeakPolarHBondContact OE1-CD1 3.33Å; F319-G321 PolarHBondContact O-N 2.85Å; F319-C322 PolarHBondContact O-N 3.05Å; F319-C322 PolarHBondContact O-SG 3.36Å |
| 320 | R | 88.1 | Confident | 94.8 | Very high | 130 Ų | 130 | 63.5 Ų | 63.5 | 49% | 0.491 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | 54.2 | 31.1 | -175.9 | -63.1 | -173.2 | 170.1 | 143.4 | 16.3 | 115.1 | T67 D69 E186 G318 | T67-R320 VanDerWaalsContact CB-NH2 3.27Å; T67-R320 PolarHBondContact O-NH2 2.92Å; D69-R320 IonicContact OD2-NH2 2.76Å; E186-R320 IonicContact OE1-CZ 3.13Å; E186-R320 VanDerWaalsContact OE1-CZ 3.32Å; E186-R320 IonicContact OE1-NH1 2.99Å; E186-R320 PolarHBondContact OE1-NH1 2.92Å; E186-R320 IonicContact OE1-NH2 2.71Å; E186-R320 PolarHBondContact OE1-NH2 3.4Å; G318-R320 PolarHBondContact O-N 2.94Å |
| 321 | G | 90.1 | Very high | 95 | Very high | 41 Ų | 41 | 64.5 Ų | 64.5 | 42% | 0.423 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | 76.1 | 23.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y317 G318 F319 F323 | Y317-G321 CarbonylContact O-C 3.57Å; Y317-G321 WeakPolarHBondContact O-CA 3.27Å; Y317-G321 PolarHBondContact O-N 3.24Å; G318-G321 PolarHBondContact O-N 3.02Å; F319-G321 PolarHBondContact O-N 2.85Å; G321-F323 VanDerWaalsContact C-N 3.28Å; G321-F323 PolarHBondContact O-N 3.03Å |
| 322 | C | 92.3 | Very high | 95.2 | Very high | 70 Ų | 70 | 62.4 Ų | 62.4 | 47% | 0.473 | 31% | 0.305 | S | S | . | . | trans | -76.3 | -8.4 | -178.6 | 63.2 | 0 | 0 | 0 | 0 | 114.9 | Y317 F319 | Y317-C322 PolarHBondContact O-N 3.28Å; F319-C322 PolarHBondContact O-N 3.05Å; F319-C322 PolarHBondContact O-SG 3.36Å | ||
| 323 | F | 94.5 | Very high | 95.1 | Very high | 117 Ų | 117 | 67.1 Ų | 67.1 | 51% | 0.513 | 34% | 0.338 | S | S | . | . | trans | -105.3 | 151 | 174.7 | -55 | -24.7 | 0 | 0 | 0 | 111.9 | Y317 G318 G321 P325 | Y317-F323 PolarHBondContact O-N 3.28Å; G318-F323 VanDerWaalsContact CA-CE2 3.5Å; G318-F323 VanDerWaalsContact N-CD2 3.27Å; G321-F323 VanDerWaalsContact C-N 3.28Å; G321-F323 PolarHBondContact O-N 3.03Å; F323-P325 WeakPolarHBondContact O-CD 3.48Å | ||
| 324 | Y | 95.1 | Very high | 95.1 | Very high | 192 Ų | 192 | 67.1 Ų | 67.1 | 75% | 0.753 | 35% | 0.345 | S | S | * | . | trans | -119.7 | 90 | -178.4 | -58.1 | -83 | 0 | 0 | 0 | 109.3 | ||||
| 325 | P | 96.4 | Very high | 95.2 | Very high | 27 Ų | 27 | 65.8 Ų | 65.8 | 18% | 0.175 | 34% | 0.34 | C | S | . | . | trans | -68.7 | 157.4 | -178.8 | 29.2 | -34.6 | 0 | 0 | 0 | 111.5 | F316 Y317 F323 L413 S414 | F316-P325 HydrophobicContact CB-CB 4.35Å; F316-P325 HydrophobicContact CB-CG 4.39Å; F316-P325 WeakPolarHBondContact O-CD 3.23Å; Y317-P325 HydrophobicContact CD1-CG 3.69Å; Y317-P325 HydrophobicContact CE1-CG 3.33Å; Y317-P325 HydrophobicContact CG-CG 4.43Å; F323-P325 WeakPolarHBondContact O-CD 3.48Å; P325-L413 HydrophobicContact CB-CD1 3.74Å; P325-L413 HydrophobicContact CB-CD2 4.49Å; P325-L413 HydrophobicContact CB-CG 3.98Å; P325-L413 HydrophobicContact CG-CD1 3.86Å; P325-L413 HydrophobicContact CG-CD2 4.43Å; P325-L413 HydrophobicContact CG-CG 4.32Å; P325-S414 CarbonylContact C-O 3.56Å; P325-S414 WeakPolarHBondContact CA-O 3.26Å | ||
| 326 | H | 96.9 | Very high | 95.2 | Very high | 78 Ų | 78 | 67.3 Ų | 67.3 | 36% | 0.361 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 137.5 | -176.3 | -62 | -83.7 | 0 | 0 | 0 | 111.4 | F328 L413 S414 P417 | H326-F328 HydrophobicContact CB-CD1 4.13Å; H326-F328 HydrophobicContact CB-CE1 4.26Å; H326-L413 CarbonylContact O-C 3.55Å; H326-L413 WeakPolarHBondContact O-CA 3.32Å; H326-S414 PolarHBondContact N-O 3.39Å; H326-S414 PolarHBondContact O-N 3.14Å; H326-P417 VanDerWaalsContact CD2-N 3.29Å |
| 327 | A | 96.8 | Very high | 95.1 | Very high | 77 Ų | 77 | 67.6 Ų | 67.6 | 64% | 0.636 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 125.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V412 | A327-V412 VanDerWaalsContact CA-O 3.27Å; A327-V412 WeakPolarHBondContact CA-O 3.38Å |
| 328 | F | 97.6 | Very high | 95.1 | Very high | 27 Ų | 27 | 65.7 Ų | 65.7 | 12% | 0.118 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 161.9 | 176.8 | 58.2 | -93.1 | 0 | 0 | 0 | 112.8 | H326 V330 V412 R418 L420 | H326-F328 HydrophobicContact CB-CD1 4.13Å; H326-F328 HydrophobicContact CB-CE1 4.26Å; F328-V330 HydrophobicContact CD2-CG2 3.95Å; F328-V330 HydrophobicContact CE2-CG2 3.69Å; F328-V412 HydrophobicContact CD2-CG2 4.17Å; F328-V412 HydrophobicContact CE1-CG2 4.39Å; F328-V412 HydrophobicContact CE2-CG2 3.87Å; F328-V412 HydrophobicContact CZ-CG2 4Å; F328-V412 PolarHBondContact N-O 3.16Å; F328-V412 PolarHBondContact O-N 2.91Å; F328-R418 HydrophobicContact CD1-CB 4.15Å; F328-R418 HydrophobicContact CD2-CB 3.82Å; F328-R418 HydrophobicContact CE1-CB 4.18Å; F328-R418 HydrophobicContact CE2-CB 3.86Å; F328-R418 HydrophobicContact CG-CB 3.96Å; F328-R418 HydrophobicContact CZ-CB 4.04Å; F328-L420 HydrophobicContact CE2-CD2 4.26Å; F328-L420 HydrophobicContact CE2-CG 4.34Å; F328-L420 HydrophobicContact CZ-CD2 3.97Å; F328-L420 HydrophobicContact CZ-CG 4.48Å |
| 329 | N | 97.6 | Very high | 95.2 | Very high | 104 Ų | 104 | 69 Ų | 69 | 56% | 0.556 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 140.1 | 177.9 | -65.1 | -9.8 | 0 | 0 | 0 | 111.4 | V409 F410 T411 | N329-V409 HydrophobicContact CB-CB 4.37Å; N329-F410 WeakPolarHBondContact CA-O 3.37Å; N329-T411 PolarHBondContact OD1-OG1 2.84Å |
| 330 | V | 97.9 | Very high | 95.2 | Very high | 10 Ų | 10 | 67.7 Ų | 67.7 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 129.7 | 172.7 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | F328 V335 V409 F410 V412 L420 | F328-V330 HydrophobicContact CD2-CG2 3.95Å; F328-V330 HydrophobicContact CE2-CG2 3.69Å; V330-V335 HydrophobicContact CG1-CG1 3.75Å; V330-V335 HydrophobicContact CG1-CG2 4.39Å; V330-V409 CarbonylContact O-C 3.53Å; V330-V409 VanDerWaalsContact O-CA 3.26Å; V330-V409 WeakPolarHBondContact O-CA 3.46Å; V330-F410 HydrophobicContact CB-CD2 4.1Å; V330-F410 HydrophobicContact CB-CE1 4.45Å; V330-F410 HydrophobicContact CB-CE2 3.58Å; V330-F410 HydrophobicContact CB-CZ 3.77Å; V330-F410 HydrophobicContact CG1-CE1 4.29Å; V330-F410 HydrophobicContact CG1-CE2 3.94Å; V330-F410 HydrophobicContact CG1-CZ 3.62Å; V330-F410 HydrophobicContact CG2-CE2 4.08Å; V330-F410 PolarHBondContact N-O 2.9Å; V330-F410 PolarHBondContact O-N 2.83Å; V330-V412 HydrophobicContact CG2-CG1 4.39Å; V330-V412 HydrophobicContact CG2-CG2 3.97Å; V330-L420 HydrophobicContact CG1-CD1 4.06Å; V330-L420 HydrophobicContact CG2-CD1 4Å; V330-L420 HydrophobicContact CG2-CG 4.32Å |
| 331 | K | 97.6 | Very high | 95.2 | Very high | 120 Ų | 120 | 62.1 Ų | 62.1 | 52% | 0.522 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 145.9 | 177.4 | -58.8 | 175.8 | 177.3 | 179.4 | 0 | 110.5 | S333 D334 V409 | K331-S333 PolarHBondContact O-N 3.23Å; K331-D334 HydrophobicContact CB-CB 4.42Å; K331-D334 WeakPolarHBondContact CB-OD2 3.46Å; K331-D334 PolarHBondContact O-N 2.88Å; K331-V409 HydrophobicContact CB-CG1 4.42Å; K331-V409 HydrophobicContact CG-CG1 3.93Å |
| 332 | F | 97.3 | Very high | 94.6 | Very high | 25 Ų | 25 | 61.4 Ų | 61.4 | 11% | 0.11 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -59.8 | -31.9 | 175.8 | -62.3 | -4.8 | 0 | 0 | 0 | 112 | D334 V335 P368 V403 L405 Q408 V409 F410 | F332-D334 VanDerWaalsContact C-N 3.26Å; F332-D334 PolarHBondContact O-N 2.83Å; F332-V335 VanDerWaalsContact O-O 3.09Å; F332-P368 HydrophobicContact CB-CG 4.1Å; F332-P368 HydrophobicContact CD1-CB 3.6Å; F332-P368 HydrophobicContact CD1-CG 3.96Å; F332-P368 HydrophobicContact CD2-CB 3.76Å; F332-P368 HydrophobicContact CD2-CG 4.12Å; F332-P368 HydrophobicContact CE1-CB 3.61Å; F332-P368 HydrophobicContact CE1-CG 4.46Å; F332-P368 HydrophobicContact CE2-CB 3.79Å; F332-P368 HydrophobicContact CG-CB 3.7Å; F332-P368 HydrophobicContact CG-CG 3.79Å; F332-P368 HydrophobicContact CZ-CB 3.72Å; F332-V403 HydrophobicContact CE1-CG1 4.26Å; F332-V403 HydrophobicContact CZ-CG1 3.82Å; F332-L405 HydrophobicContact CE2-CD2 4.17Å; F332-L405 HydrophobicContact CZ-CD2 4.19Å; F332-Q408 WeakPolarHBondContact CD1-O 3.27Å; F332-Q408 HydrophobicContact CD2-CB 3.86Å; F332-Q408 HydrophobicContact CD2-CG 4.38Å; F332-Q408 HydrophobicContact CE2-CB 4.19Å; F332-Q408 HydrophobicContact CG-CB 4.25Å; F332-Q408 WeakPolarHBondContact CG-O 3.39Å; F332-Q408 PolarHBondContact N-O 2.92Å; F332-V409 WeakPolarHBondContact CE1-O 3.48Å; F332-F410 AromaticContact CD1-CD1 3.63Å; F332-F410 HydrophobicContact CD1-CD1 3.63Å; F332-F410 HydrophobicContact CD1-CE1 4.14Å; F332-F410 HydrophobicContact CE1-CB 4.21Å; F332-F410 AromaticContact CE1-CD1 3.65Å; F332-F410 HydrophobicContact CE1-CD1 3.65Å; F332-F410 HydrophobicContact CE1-CG 4.4Å |
| 333 | S | 96.5 | Very high | 93.6 | Very high | 99 Ų | 99 | 62.7 Ų | 62.7 | 69% | 0.692 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -67.9 | -22 | 177.1 | 56.4 | 0 | 0 | 0 | 0 | 114.5 | K331 V335 | K331-S333 PolarHBondContact O-N 3.23Å; S333-V335 VanDerWaalsContact C-N 3.33Å |
| 334 | D | 95.4 | Very high | 92.2 | Very high | 90 Ų | 90 | 63.5 Ų | 63.5 | 48% | 0.481 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -87.4 | -10.9 | -170.7 | -60.9 | -7 | 0 | 0 | 0 | 111.7 | K331 F332 N423 | K331-D334 HydrophobicContact CB-CB 4.42Å; K331-D334 WeakPolarHBondContact CB-OD2 3.46Å; K331-D334 PolarHBondContact O-N 2.88Å; F332-D334 VanDerWaalsContact C-N 3.26Å; F332-D334 PolarHBondContact O-N 2.83Å; D334-N423 WeakPolarHBondContact O-CB 3.48Å |
| 335 | V | 95.6 | Very high | 90.9 | Very high | 15 Ų | 15 | 57.3 Ų | 57.3 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | trans | -136.7 | 157.2 | -174 | -61.4 | 0 | 0 | 0 | 0 | 112.1 | V330 F332 S333 I337 F410 L420 N423 L425 | V330-V335 HydrophobicContact CG1-CG1 3.75Å; V330-V335 HydrophobicContact CG1-CG2 4.39Å; F332-V335 VanDerWaalsContact O-O 3.09Å; S333-V335 VanDerWaalsContact C-N 3.33Å; V335-I337 HydrophobicContact CG2-CD1 4.26Å; V335-I337 HydrophobicContact CG2-CG1 4.13Å; V335-F410 HydrophobicContact CG2-CE1 3.85Å; V335-F410 HydrophobicContact CG2-CZ 3.84Å; V335-L420 HydrophobicContact CG1-CD1 4.04Å; V335-N423 CarbonylContact C-O 3.55Å; V335-N423 VanDerWaalsContact CA-O 3.28Å; V335-N423 WeakPolarHBondContact CA-O 3.41Å; V335-L425 HydrophobicContact CB-CD1 3.93Å; V335-L425 HydrophobicContact CB-CG 4.29Å; V335-L425 HydrophobicContact CG1-CD1 3.96Å; V335-L425 HydrophobicContact CG1-CG 4.41Å; V335-L425 HydrophobicContact CG2-CD1 4.1Å | ||
| 336 | K | 95.9 | Very high | 89.8 | Confident | 90 Ų | 90 | 59.8 Ų | 59.8 | 39% | 0.391 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 126.6 | 169.4 | -63 | 174.2 | 161.8 | -164.7 | 0 | 108.6 | Y338 E386 N423 F424 L425 | K336-Y338 HydrophobicContact CB-CE2 3.54Å; K336-E386 IonicContact NZ-OE1 2.7Å; K336-E386 PolarHBondContact NZ-OE1 3.21Å; K336-N423 PolarHBondContact N-O 2.78Å; K336-F424 HydrophobicContact CB-CD1 4.09Å; K336-F424 HydrophobicContact CB-CE1 4.25Å; K336-F424 HydrophobicContact CD-CD1 4.16Å; K336-F424 HydrophobicContact CD-CE1 3.51Å; K336-F424 HydrophobicContact CD-CZ 4.18Å; K336-L425 PolarHBondContact O-N 2.97Å |
| 337 | I | 96.3 | Very high | 88.4 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 4% | 0.036 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 132.5 | -173.2 | -44.9 | -171.5 | 0 | 0 | 0 | 109.2 | V335 V366 P368 M372 L377 F410 L425 I427 | V335-I337 HydrophobicContact CG2-CD1 4.26Å; V335-I337 HydrophobicContact CG2-CG1 4.13Å; I337-V366 HydrophobicContact CB-CB 4.25Å; I337-V366 HydrophobicContact CG2-CB 4.03Å; I337-V366 HydrophobicContact CG2-CG1 4.43Å; I337-V366 PolarHBondContact O-N 3Å; I337-P368 HydrophobicContact CD1-CG 4.13Å; I337-M372 HydrophobicContact CD1-CE 3.31Å; I337-M372 HydrophobicContact CD1-SD 4.07Å; I337-M372 HydrophobicContact CG2-CE 4.27Å; I337-L377 HydrophobicContact CD1-CD1 4.48Å; I337-F410 HydrophobicContact CD1-CE1 4.12Å; I337-F410 HydrophobicContact CD1-CZ 4.45Å; I337-L425 CarbonylContact C-O 3.5Å; I337-L425 WeakPolarHBondContact CA-O 3.28Å; I337-L425 HydrophobicContact CD1-CD1 4.42Å; I337-L425 HydrophobicContact CG1-CB 4.25Å; I337-L425 HydrophobicContact CG1-CD1 4.33Å; I337-L425 HydrophobicContact CG2-CB 4.39Å; I337-I427 HydrophobicContact CG2-CB 4.34Å |
| 338 | Y | 96 | Very high | 87.4 | Confident | 14 Ų | 14 | 63.1 Ų | 63.1 | 6% | 0.055 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 154.3 | 179.3 | -58.7 | -93.8 | 0 | 0 | 0 | 111.5 | K336 L363 V364 P365 E386 L389 F424 L425 L426 I427 | K336-Y338 HydrophobicContact CB-CE2 3.54Å; Y338-L363 HydrophobicContact CD1-CB 4.16Å; Y338-V364 CarbonylContact C-O 3.46Å; Y338-V364 VanDerWaalsContact CA-O 3.29Å; Y338-V364 WeakPolarHBondContact CA-O 3.41Å; Y338-P365 HydrophobicContact CD1-CB 4.4Å; Y338-P365 HydrophobicContact CD1-CG 4.29Å; Y338-P365 HydrophobicContact CE1-CB 4.23Å; Y338-P365 HydrophobicContact CE1-CG 4Å; Y338-E386 HydrophobicContact CE1-CG 4.41Å; Y338-E386 WeakPolarHBondContact CE1-OE2 3.37Å; Y338-E386 HydrophobicContact CE2-CG 4.31Å; Y338-E386 VanDerWaalsContact CZ-CD 3.48Å; Y338-E386 PolarHBondContact OH-OE1 3.49Å; Y338-E386 PolarHBondContact OH-OE2 2.83Å; Y338-L389 HydrophobicContact CD2-CD2 3.61Å; Y338-L389 HydrophobicContact CE2-CD2 4.33Å; Y338-L389 HydrophobicContact CG-CD2 4.04Å; Y338-F424 AromaticContact CE2-CD1 3.88Å; Y338-F424 HydrophobicContact CE2-CD1 3.88Å; Y338-F424 HydrophobicContact CE2-CE1 4.19Å; Y338-L425 PolarHBondContact N-O 2.79Å; Y338-L426 CarbonylContact O-C 3.46Å; Y338-L426 VanDerWaalsContact O-CA 3.32Å; Y338-L426 WeakPolarHBondContact O-CA 3.32Å; Y338-I427 PolarHBondContact O-N 2.98Å |
| 339 | K | 94.1 | Very high | 86.1 | Confident | 75 Ų | 75 | 65.6 Ų | 65.6 | 33% | 0.326 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 135.8 | 164.3 | -176.6 | 162.8 | 175.5 | 159.8 | 0 | 108.8 | V364 V366 I427 D429 | K339-V364 PolarHBondContact N-O 3.19Å; K339-V364 PolarHBondContact O-N 3.15Å; K339-V366 HydrophobicContact CB-CG2 3.87Å; K339-I427 HydrophobicContact CB-CG2 3.73Å; K339-I427 HydrophobicContact CD-CG2 4.29Å; K339-I427 HydrophobicContact CG-CG2 4.18Å; K339-D429 IonicContact NZ-OD1 2.71Å; K339-D429 PolarHBondContact NZ-OD1 2.99Å; K339-D429 IonicContact NZ-OD2 3.16Å |
| 340 | V | 92.2 | Very high | 84.9 | Confident | 14 Ų | 14 | 62.1 Ų | 62.1 | 9% | 0.085 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 126.2 | 175.3 | -167.6 | 0 | 0 | 0 | 0 | 109.4 | L210 L363 L426 | L210-V340 HydrophobicContact CD1-CG1 3.9Å; L210-V340 HydrophobicContact CD2-CB 3.92Å; L210-V340 HydrophobicContact CD2-CG1 3.65Å; L210-V340 HydrophobicContact CG-CG1 4.33Å; V340-L363 HydrophobicContact CG2-CD2 3.92Å; V340-L426 HydrophobicContact CG2-CD2 3.93Å |
| 341 | G | 86.9 | Confident | 83.7 | Confident | 12 Ų | 12 | 65.2 Ų | 65.2 | 12% | 0.124 | 38% | 0.38 | C | S | . | . | S | Bend | trans | 92 | 120.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N359 Q360 K362 | G341-N359 WeakPolarHBondContact CA-O 3.29Å; G341-Q360 VanDerWaalsContact CA-O 3.23Å; G341-Q360 WeakPolarHBondContact CA-O 3.4Å; G341-K362 PolarHBondContact N-O 2.83Å |
| 342 | A | 78.1 | Confident | 82.3 | Confident | 26 Ų | 26 | 68.3 Ų | 68.3 | 22% | 0.215 | 40% | 0.402 | C | S | . | . | trans | -75.9 | 152.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | N359 K362 V364 | A342-N359 HydrophobicContact CB-CB 4.11Å; A342-N359 PolarHBondContact N-O 2.83Å; A342-K362 HydrophobicContact CB-CD 4.42Å; A342-V364 HydrophobicContact CB-CG2 3.76Å | ||
| 343 | P | 70.4 | Confident | 80.9 | Confident | 98 Ų | 98 | 71.2 Ų | 71.2 | 64% | 0.636 | 44% | 0.439 | S | S | * | . | trans | -53.7 | 142.6 | 175.6 | -22.9 | 32.1 | 0 | 0 | 0 | 111.4 | I345 | P343-I345 PolarHBondContact O-N 3.23Š| ||
| 344 | T | 66.6 | Low | 79.6 | Confident | 133 Ų | 133 | 69.8 Ų | 69.8 | 82% | 0.816 | 42% | 0.422 | S | S | * | . | trans | -64.2 | 110.8 | 171.5 | 46.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 345 | I | 67.3 | Low | 78.4 | Confident | 63 Ų | 63 | 67.8 Ų | 67.8 | 32% | 0.323 | 42% | 0.415 | S | S | . | . | trans | -101.3 | 147 | 171.8 | 51.1 | 173.2 | 0 | 0 | 0 | 109.5 | P343 C349 L350 | P343-I345 PolarHBondContact O-N 3.23Å; I345-C349 HydrophobicContact CB-CB 4.3Å; I345-C349 HydrophobicContact CD1-CB 4.39Å; I345-L350 HydrophobicContact CD1-CD2 3.85Å; I345-L350 HydrophobicContact CG1-CD2 3.87Å; I345-L350 HydrophobicContact CG1-CG 4.48Å | ||
| 346 | P | 72.1 | Confident | 77 | Confident | 79 Ų | 79 | 71.3 Ų | 71.3 | 51% | 0.513 | 43% | 0.43 | S | S | . | . | trans | -55.4 | 151.4 | 175.3 | -23.9 | 33.7 | 0 | 0 | 0 | 111.8 | S348 C349 | P346-S348 PolarHBondContact O-N 2.85Å; P346-S348 VanDerWaalsContact O-N 3.11Å; P346-C349 WeakPolarHBondContact O-CA 3.45Å; P346-C349 WeakPolarHBondContact O-CB 3.35Å; P346-C349 PolarHBondContact O-N 2.92Å | ||
| 347 | D | 68.8 | Low | 75.6 | Confident | 112 Ų | 112 | 72.5 Ų | 72.5 | 60% | 0.599 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -57.4 | -30.8 | -179.4 | -68.4 | -22.5 | 0 | 0 | 0 | 112.7 | C349 L350 Q356 | D347-C349 PolarHBondContact O-N 3.39Å; D347-L350 PolarHBondContact O-N 3.47Å; D347-Q356 WeakPolarHBondContact OD1-CG 3.44Å; D347-Q356 PolarHBondContact OD1-NE2 3.31Å |
| 348 | S | 75 | Confident | 74.4 | Confident | 113 Ų | 113 | 76.3 Ų | 76.3 | 79% | 0.79 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -65.6 | -14.9 | 175.3 | 55.6 | 0 | 0 | 0 | 0 | 114.3 | P346 | P346-S348 PolarHBondContact O-N 2.85Å; P346-S348 VanDerWaalsContact O-N 3.11Å |
| 349 | C | 71.4 | Confident | 73.8 | Confident | 79 Ų | 79 | 76.3 Ų | 76.3 | 53% | 0.534 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -106.6 | 1.2 | 179.7 | -59.6 | 0 | 0 | 0 | 0 | 112.9 | I345 P346 D347 | I345-C349 HydrophobicContact CB-CB 4.3Å; I345-C349 HydrophobicContact CD1-CB 4.39Å; P346-C349 WeakPolarHBondContact O-CA 3.45Å; P346-C349 WeakPolarHBondContact O-CB 3.35Å; P346-C349 PolarHBondContact O-N 2.92Å; D347-C349 PolarHBondContact O-N 3.39Å |
| 350 | L | 72.1 | Confident | 73.3 | Confident | 31 Ų | 31 | 75.6 Ų | 75.6 | 16% | 0.162 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -77.8 | 138.4 | 176.7 | -70.2 | 170.8 | 0 | 0 | 0 | 111 | I345 D347 Q356 N359 | I345-L350 HydrophobicContact CD1-CD2 3.85Å; I345-L350 HydrophobicContact CG1-CD2 3.87Å; I345-L350 HydrophobicContact CG1-CG 4.48Å; D347-L350 PolarHBondContact O-N 3.47Å; L350-Q356 HydrophobicContact CD1-CG 3.81Å; L350-N359 WeakPolarHBondContact CD2-ND2 3.45Å |
| 351 | P | 73.1 | Confident | 73 | Confident | 75 Ų | 75 | 78.1 Ų | 78.1 | 49% | 0.487 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 147.8 | 170 | -23.7 | 34.8 | 0 | 0 | 0 | 111.9 | G353 M354 | P351-G353 PolarHBondContact O-N 3.09Å; P351-G353 VanDerWaalsContact O-N 3.16Å; P351-M354 HydrophobicContact CB-CG 4.15Å; P351-M354 HydrophobicContact CB-SD 3.87Å; P351-M354 HydrophobicContact CG-CG 4.47Å; P351-M354 HydrophobicContact CG-SD 3.64Å; P351-M354 PolarHBondContact O-N 3.06Å |
| 352 | L | 68 | Low | 73.1 | Confident | 185 Ų | 185 | 82.9 Ų | 82.9 | 97% | 0.969 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 121.2 | 177.5 | -76 | 160.8 | 0 | 0 | 0 | 110.7 | ||
| 353 | G | 66.8 | Low | 73.7 | Confident | 86 Ų | 86 | 83.5 Ų | 83.5 | 89% | 0.887 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.5 | -1.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | P351 | P351-G353 PolarHBondContact O-N 3.09Å; P351-G353 VanDerWaalsContact O-N 3.16Å |
| 354 | M | 70.4 | Confident | 74.8 | Confident | 69 Ų | 69 | 81 Ų | 81 | 34% | 0.34 | 47% | 0.469 | S | S | . | . | trans | -96.1 | 139.1 | 172.9 | -67.6 | -171.7 | 68.5 | 0 | 0 | 111.6 | P351 D358 N359 | P351-M354 HydrophobicContact CB-CG 4.15Å; P351-M354 HydrophobicContact CB-SD 3.87Å; P351-M354 HydrophobicContact CG-CG 4.47Å; P351-M354 HydrophobicContact CG-SD 3.64Å; P351-M354 PolarHBondContact O-N 3.06Å; M354-D358 HydrophobicContact CE-CB 4.32Å; M354-N359 WeakPolarHBondContact CE-OD1 3.31Å | ||
| 355 | S | 70.3 | Confident | 76.1 | Confident | 48 Ų | 48 | 79 Ų | 79 | 34% | 0.336 | 46% | 0.458 | S | S | . | . | trans | -97.7 | 157 | 170 | 68.7 | 0 | 0 | 0 | 0 | 111 | E357 D358 | S355-E357 PolarHBondContact O-N 3.42Å; S355-E357 VanDerWaalsContact OG-CB 3.25Å; S355-E357 WeakPolarHBondContact OG-CB 3.36Å; S355-E357 PolarHBondContact OG-N 3.15Å; S355-D358 WeakPolarHBondContact CB-OD2 3.5Å; S355-D358 PolarHBondContact N-OD2 3.34Å; S355-D358 PolarHBondContact O-N 3.36Å; S355-D358 PolarHBondContact OG-N 2.65Å; S355-D358 PolarHBondContact OG-OD2 2.88Å | ||
| 356 | Q | 66.3 | Low | 77.4 | Confident | 88 Ų | 88 | 77.3 Ų | 77.3 | 41% | 0.411 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -28.8 | 169.3 | -68.4 | -169.3 | 3.5 | 0 | 0 | 112 | D347 L350 D358 N359 | D347-Q356 WeakPolarHBondContact OD1-CG 3.44Å; D347-Q356 PolarHBondContact OD1-NE2 3.31Å; L350-Q356 HydrophobicContact CD1-CG 3.81Å; Q356-D358 VanDerWaalsContact C-N 3.33Å; Q356-D358 PolarHBondContact O-N 2.9Å; Q356-N359 WeakPolarHBondContact O-CB 3.44Å; Q356-N359 PolarHBondContact O-N 3.29Å |
| 357 | E | 66.5 | Low | 78.5 | Confident | 115 Ų | 115 | 79.4 Ų | 79.4 | 54% | 0.537 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -26.9 | -179.5 | -94.7 | -161.9 | -149.4 | 0 | 0 | 114 | K209 S355 N359 | K209-E357 VanDerWaalsContact CE-OE2 3.3Å; K209-E357 WeakPolarHBondContact CE-OE2 3.27Å; K209-E357 VanDerWaalsContact NZ-CG 3.28Å; K209-E357 PolarHBondContact NZ-O 3.23Å; K209-E357 IonicContact NZ-OE2 3.37Å; K209-E357 PolarHBondContact NZ-OE2 3.11Å; S355-E357 PolarHBondContact O-N 3.42Å; S355-E357 VanDerWaalsContact OG-CB 3.25Å; S355-E357 WeakPolarHBondContact OG-CB 3.36Å; S355-E357 PolarHBondContact OG-N 3.15Å; E357-N359 VanDerWaalsContact C-N 3.34Å |
| 358 | D | 71 | Confident | 79.7 | Confident | 88 Ų | 88 | 75.3 Ų | 75.3 | 47% | 0.471 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -23 | 176.3 | -60.4 | -48.4 | 0 | 0 | 0 | 112 | M354 S355 Q356 Q360 | M354-D358 HydrophobicContact CE-CB 4.32Å; S355-D358 WeakPolarHBondContact CB-OD2 3.5Å; S355-D358 PolarHBondContact N-OD2 3.34Å; S355-D358 PolarHBondContact O-N 3.36Å; S355-D358 PolarHBondContact OG-N 2.65Å; S355-D358 PolarHBondContact OG-OD2 2.88Å; Q356-D358 VanDerWaalsContact C-N 3.33Å; Q356-D358 PolarHBondContact O-N 2.9Å; D358-Q360 VanDerWaalsContact C-N 3.35Å |
| 359 | N | 81.6 | Confident | 80.6 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 8% | 0.075 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -77.7 | -19.7 | 179.6 | -76 | -21.5 | 0 | 0 | 0 | 113.3 | G341 A342 L350 M354 Q356 E357 L361 K362 | G341-N359 WeakPolarHBondContact CA-O 3.29Å; A342-N359 HydrophobicContact CB-CB 4.11Å; A342-N359 PolarHBondContact N-O 2.83Å; L350-N359 WeakPolarHBondContact CD2-ND2 3.45Å; M354-N359 WeakPolarHBondContact CE-OD1 3.31Å; Q356-N359 WeakPolarHBondContact O-CB 3.44Å; Q356-N359 PolarHBondContact O-N 3.29Å; E357-N359 VanDerWaalsContact C-N 3.34Å; N359-L361 PolarHBondContact O-N 3.43Å; N359-K362 WeakPolarHBondContact O-CB 3.37Å; N359-K362 PolarHBondContact O-N 3.27Å |
| 360 | Q | 83.7 | Confident | 81.7 | Confident | 59 Ų | 59 | 75.9 Ų | 75.9 | 28% | 0.276 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -29.5 | -173.4 | -68.6 | -177.1 | -10.5 | 0 | 0 | 113.5 | N207 K209 G341 D358 | N207-Q360 PolarHBondContact ND2-O 2.84Å; K209-Q360 HydrophobicContact CB-CB 4.43Å; K209-Q360 HydrophobicContact CD-CB 4.3Å; G341-Q360 VanDerWaalsContact CA-O 3.23Å; G341-Q360 WeakPolarHBondContact CA-O 3.4Å; D358-Q360 VanDerWaalsContact C-N 3.35Å |
| 361 | L | 87.6 | Confident | 82.8 | Confident | 67 Ų | 67 | 79.4 Ų | 79.4 | 35% | 0.351 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -0.1 | 177.9 | -61 | -179.5 | 0 | 0 | 0 | 113 | K209 L210 N359 L363 | K209-L361 HydrophobicContact CB-CD2 4.22Å; K209-L361 HydrophobicContact CB-CG 4.45Å; L210-L361 HydrophobicContact CB-CD2 3.95Å; L210-L361 HydrophobicContact CD1-CD2 4.18Å; N359-L361 PolarHBondContact O-N 3.43Å; L361-L363 PolarHBondContact O-N 3.43Å |
| 362 | K | 88.6 | Confident | 83.8 | Confident | 112 Ų | 112 | 75.8 Ų | 75.8 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | trans | -68 | 132.7 | -177.5 | -172.2 | 174 | -178.7 | 177.3 | 0 | 110.7 | G341 A342 N359 | G341-K362 PolarHBondContact N-O 2.83Å; A342-K362 HydrophobicContact CB-CD 4.42Å; N359-K362 WeakPolarHBondContact O-CB 3.37Å; N359-K362 PolarHBondContact O-N 3.27Å | ||
| 363 | L | 90.9 | Very high | 85.2 | Confident | 39 Ų | 39 | 68.7 Ų | 68.7 | 20% | 0.204 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 123.9 | 169.7 | -64.7 | 171.3 | 0 | 0 | 0 | 109.4 | Y338 V340 L361 E386 L389 L426 | Y338-L363 HydrophobicContact CD1-CB 4.16Å; V340-L363 HydrophobicContact CG2-CD2 3.92Å; L361-L363 PolarHBondContact O-N 3.43Å; L363-E386 WeakPolarHBondContact CD1-O 3.28Å; L363-L389 HydrophobicContact CD1-CB 3.6Å; L363-L389 HydrophobicContact CD1-CD2 4.38Å; L363-L389 HydrophobicContact CD2-CB 4.19Å; L363-L389 HydrophobicContact CD2-CD2 4.4Å; L363-L426 HydrophobicContact CD2-CD2 4.44Å |
| 364 | V | 92.3 | Very high | 86.7 | Confident | 45 Ų | 45 | 67.6 Ų | 67.6 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 118.5 | 177 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | Y338 K339 A342 | Y338-V364 CarbonylContact C-O 3.46Å; Y338-V364 VanDerWaalsContact CA-O 3.29Å; Y338-V364 WeakPolarHBondContact CA-O 3.41Å; K339-V364 PolarHBondContact N-O 3.19Å; K339-V364 PolarHBondContact O-N 3.15Å; A342-V364 HydrophobicContact CB-CG2 3.76Å |
| 365 | P | 94.3 | Very high | 88 | Confident | 91 Ų | 91 | 65.1 Ų | 65.1 | 59% | 0.591 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 138 | 173.2 | -19.6 | 29.8 | 0 | 0 | 0 | 110.8 | Y338 | Y338-P365 HydrophobicContact CD1-CB 4.4Å; Y338-P365 HydrophobicContact CD1-CG 4.29Å; Y338-P365 HydrophobicContact CE1-CB 4.23Å; Y338-P365 HydrophobicContact CE1-CG 4Å |
| 366 | V | 95.1 | Very high | 89.3 | Confident | 29 Ų | 29 | 62.9 Ų | 62.9 | 18% | 0.176 | 32% | 0.322 | C | S | . | . | trans | -113 | 116.3 | 178.4 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | I337 K339 I427 | I337-V366 HydrophobicContact CB-CB 4.25Å; I337-V366 HydrophobicContact CG2-CB 4.03Å; I337-V366 HydrophobicContact CG2-CG1 4.43Å; I337-V366 PolarHBondContact O-N 3Å; K339-V366 HydrophobicContact CB-CG2 3.87Å; V366-I427 HydrophobicContact CG2-CG2 3.98Å | ||
| 367 | T | 94.4 | Very high | 90.8 | Very high | 122 Ų | 122 | 58.7 Ų | 58.7 | 75% | 0.748 | 30% | 0.303 | S | S | * | . | trans | -72.4 | 128.1 | 173.5 | -55.7 | 0 | 0 | 0 | 0 | 109.3 | G369 | T367-G369 PolarHBondContact O-N 3.42Š| ||
| 368 | P | 94.9 | Very high | 92.3 | Very high | 27 Ų | 27 | 53.2 Ų | 53.2 | 18% | 0.175 | 28% | 0.277 | C | S | . | . | trans | -57.5 | 128.4 | 177.9 | -27.1 | 35.8 | 0 | 0 | 0 | 113.3 | F332 I337 M372 | F332-P368 HydrophobicContact CB-CG 4.1Å; F332-P368 HydrophobicContact CD1-CB 3.6Å; F332-P368 HydrophobicContact CD1-CG 3.96Å; F332-P368 HydrophobicContact CD2-CB 3.76Å; F332-P368 HydrophobicContact CD2-CG 4.12Å; F332-P368 HydrophobicContact CE1-CB 3.61Å; F332-P368 HydrophobicContact CE1-CG 4.46Å; F332-P368 HydrophobicContact CE2-CB 3.79Å; F332-P368 HydrophobicContact CG-CB 3.7Å; F332-P368 HydrophobicContact CG-CG 3.79Å; F332-P368 HydrophobicContact CZ-CB 3.72Å; I337-P368 HydrophobicContact CD1-CG 4.13Å; P368-M372 VanDerWaalsContact CA-SD 3.52Å; P368-M372 HydrophobicContact CB-SD 4.07Å | ||
| 369 | G | 93.9 | Very high | 93.6 | Very high | 12 Ų | 12 | 49.2 Ų | 49.2 | 12% | 0.124 | 26% | 0.256 | C | S | . | . | trans | -152.5 | 167.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113 | T367 D371 M372 | T367-G369 PolarHBondContact O-N 3.42Å; G369-D371 VanDerWaalsContact CA-OD1 3.31Å; G369-D371 WeakPolarHBondContact CA-OD1 3.34Å; G369-D371 PolarHBondContact O-N 2.78Å; G369-M372 VanDerWaalsContact O-CB 3.32Å; G369-M372 WeakPolarHBondContact O-CB 3.48Å; G369-M372 PolarHBondContact O-N 3.48Å | ||
| 370 | R | 94.6 | Very high | 94.3 | Very high | 192 Ų | 192 | 48.5 Ų | 48.5 | 73% | 0.725 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -62.3 | -22.4 | -179.7 | -68 | -175.6 | 179.1 | -163.5 | -0 | 113.1 | M372 V373 L405 | R370-M372 PolarHBondContact O-N 3.2Å; R370-V373 WeakPolarHBondContact O-CB 3.5Å; R370-V373 VanDerWaalsContact O-CG2 3.27Å; R370-V373 WeakPolarHBondContact O-CG2 3.36Å; R370-V373 PolarHBondContact O-N 2.97Å; R370-L405 HydrophobicContact CG-CD1 4.19Å |
| 371 | D | 93.9 | Very high | 94.9 | Very high | 104 Ų | 104 | 47.8 Ų | 47.8 | 56% | 0.556 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -67.8 | -18.7 | 175.4 | 61.1 | -44.4 | 0 | 0 | 0 | 113.5 | G369 V373 H375 | G369-D371 VanDerWaalsContact CA-OD1 3.31Å; G369-D371 WeakPolarHBondContact CA-OD1 3.34Å; G369-D371 PolarHBondContact O-N 2.78Å; D371-V373 VanDerWaalsContact C-N 3.27Å; D371-V373 PolarHBondContact O-N 2.85Å; D371-H375 PolarHBondContact O-CD2 2.81Å |
| 372 | M | 95.4 | Very high | 95 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -74.8 | -14.1 | 174.5 | -68.3 | -176.9 | 67.7 | 0 | 0 | 114 | I337 P368 G369 R370 H374 H375 L377 V400 I427 | I337-M372 HydrophobicContact CD1-CE 3.31Å; I337-M372 HydrophobicContact CD1-SD 4.07Å; I337-M372 HydrophobicContact CG2-CE 4.27Å; P368-M372 VanDerWaalsContact CA-SD 3.52Å; P368-M372 HydrophobicContact CB-SD 4.07Å; G369-M372 VanDerWaalsContact O-CB 3.32Å; G369-M372 WeakPolarHBondContact O-CB 3.48Å; G369-M372 PolarHBondContact O-N 3.48Å; R370-M372 PolarHBondContact O-N 3.2Å; M372-H374 PolarHBondContact O-N 3.11Å; M372-H375 WeakPolarHBondContact O-CB 3.2Å; M372-H375 PolarHBondContact O-N 2.8Å; M372-L377 HydrophobicContact CE-CD1 3.89Å; M372-L377 HydrophobicContact CE-CD2 4Å; M372-V400 HydrophobicContact CE-CG2 4.23Å; M372-V400 WeakPolarHBondContact O-CB 3.43Å; M372-I427 HydrophobicContact CG-CD1 4.11Å |
| 373 | V | 96.9 | Very high | 94.8 | Very high | 36 Ų | 36 | 47.1 Ų | 47.1 | 22% | 0.218 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 133.6 | -178.9 | 177 | 0 | 0 | 0 | 0 | 109.6 | R370 D371 H375 V403 | R370-V373 WeakPolarHBondContact O-CB 3.5Å; R370-V373 VanDerWaalsContact O-CG2 3.27Å; R370-V373 WeakPolarHBondContact O-CG2 3.36Å; R370-V373 PolarHBondContact O-N 2.97Å; D371-V373 VanDerWaalsContact C-N 3.27Å; D371-V373 PolarHBondContact O-N 2.85Å; V373-H375 PolarHBondContact O-N 3.09Å; V373-V403 HydrophobicContact CG2-CB 4.29Å; V373-V403 HydrophobicContact CG2-CG2 3.77Å |
| 374 | H | 97.2 | Very high | 93.9 | Very high | 62 Ų | 62 | 48.6 Ų | 48.6 | 29% | 0.287 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69 | -2.1 | -174.6 | -49.7 | -44.2 | 0 | 0 | 0 | 115.9 | M372 V400 R431 F432 M433 | M372-H374 PolarHBondContact O-N 3.11Å; H374-V400 VanDerWaalsContact CA-O 3.27Å; H374-V400 WeakPolarHBondContact CA-O 3.41Å; H374-V400 PolarHBondContact N-O 3.4Å; H374-R431 HydrophobicContact CB-CB 4.31Å; H374-R431 CarbonylContact O-C 3.55Å; H374-R431 WeakPolarHBondContact O-CA 3.41Å; H374-R431 WeakPolarHBondContact O-CB 3.47Å; H374-F432 WeakPolarHBondContact CB-O 3.35Å; H374-F432 PolarHBondContact O-N 3.28Å; H374-M433 HydrophobicContact CB-CG 4.1Å |
| 375 | H | 97.9 | Very high | 93 | Very high | 18 Ų | 18 | 50.3 Ų | 50.3 | 8% | 0.083 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 139.1 | 172.7 | -80.8 | -94.4 | 0 | 0 | 0 | 111.4 | D371 M372 V373 V400 I427 M428 R431 | D371-H375 PolarHBondContact O-CD2 2.81Å; M372-H375 WeakPolarHBondContact O-CB 3.2Å; M372-H375 PolarHBondContact O-N 2.8Å; V373-H375 PolarHBondContact O-N 3.09Å; H375-V400 PolarHBondContact O-N 3.37Å; H375-V400 VanDerWaalsContact O-N 3.13Å; H375-I427 HydrophobicContact CB-CD1 4.03Å; H375-I427 HydrophobicContact CB-CG1 4Å; H375-M428 PolarHBondContact ND1-O 2.98Å; H375-R431 PolarHBondContact CD2-NE 3.17Å; H375-R431 VanDerWaalsContact NE2-CZ 3.34Å; H375-R431 PolarHBondContact NE2-NE 3.23Å; H375-R431 PolarHBondContact NE2-NH2 2.82Å |
| 376 | L | 98.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 139 | 165.5 | -74.7 | 161 | 0 | 0 | 0 | 109.9 | I170 I312 F316 I398 V399 M428 I430 F432 | I170-L376 HydrophobicContact CD1-CD1 4Å; I312-L376 HydrophobicContact CD1-CD1 3.82Å; I312-L376 HydrophobicContact CG1-CD1 4.11Å; I312-L376 HydrophobicContact CG2-CD1 4.09Å; I312-L376 HydrophobicContact CG2-CD2 4.26Å; F316-L376 HydrophobicContact CE2-CD2 3.89Å; F316-L376 HydrophobicContact CZ-CD2 3.93Å; L376-I398 CarbonylContact C-O 3.48Å; L376-I398 WeakPolarHBondContact CA-O 3.11Å; L376-V399 HydrophobicContact CD2-CB 3.87Å; L376-M428 HydrophobicContact CB-CB 4.24Å; L376-M428 HydrophobicContact CB-CG 4.25Å; L376-M428 HydrophobicContact CB-SD 3.73Å; L376-M428 WeakPolarHBondContact O-CB 3.44Å; L376-M428 WeakPolarHBondContact O-CG 3.48Å; L376-M428 PolarHBondContact O-N 3.12Å; L376-I430 HydrophobicContact CD1-CB 4.29Å; L376-I430 HydrophobicContact CD1-CG2 3.82Å; L376-I430 PolarHBondContact N-O 3.12Å; L376-I430 VanDerWaalsContact N-O 3.12Å; L376-F432 HydrophobicContact CD1-CB 4.46Å; L376-F432 HydrophobicContact CG-CB 4.43Å |
| 377 | L | 98.3 | Very high | 91 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 129.5 | 173.4 | -51.7 | -179 | 0 | 0 | 0 | 108.7 | I337 M372 F397 I398 V400 L425 L426 I427 | I337-L377 HydrophobicContact CD1-CD1 4.48Å; M372-L377 HydrophobicContact CE-CD1 3.89Å; M372-L377 HydrophobicContact CE-CD2 4Å; L377-F397 VanDerWaalsContact O-CA 3.32Å; L377-F397 WeakPolarHBondContact O-CA 3.4Å; L377-I398 HydrophobicContact CB-CD1 4.41Å; L377-I398 HydrophobicContact CB-CG1 3.82Å; L377-I398 HydrophobicContact CD1-CD1 4.39Å; L377-I398 HydrophobicContact CD1-CG1 4.41Å; L377-I398 HydrophobicContact CG-CG1 4.45Å; L377-I398 PolarHBondContact N-O 2.95Å; L377-I398 PolarHBondContact O-N 3.32Å; L377-V400 HydrophobicContact CD1-CG2 3.7Å; L377-V400 HydrophobicContact CG-CG2 4.11Å; L377-L425 HydrophobicContact CB-CB 4.47Å; L377-L425 HydrophobicContact CD1-CD1 3.79Å; L377-L426 CarbonylContact C-O 3.59Å; L377-L426 WeakPolarHBondContact CA-O 3.27Å; L377-I427 HydrophobicContact CD2-CB 3.73Å; L377-I427 HydrophobicContact CD2-CD1 4.25Å; L377-I427 HydrophobicContact CD2-CG1 3.69Å |
| 378 | S | 98.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 130.2 | 169.7 | -41.7 | 0 | 0 | 0 | 0 | 109.8 | H198 S380 F397 L425 L426 | H198-S378 PolarHBondContact ND1-OG 3.44Å; S378-S380 PolarHBondContact O-N 2.66Å; S378-F397 WeakPolarHBondContact OG-CD1 3.49Å; S378-F397 VanDerWaalsContact OG-CE1 3.27Å; S378-F397 WeakPolarHBondContact OG-CE1 3.33Å; S378-L425 CarbonylContact O-C 2.99Å; S378-L425 WeakPolarHBondContact O-CA 3.42Å; S378-L426 PolarHBondContact N-O 3.13Å; S378-L426 PolarHBondContact O-N 2.91Å |
| 379 | V | 97.6 | Very high | 90 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 104.1 | 177.4 | -175 | 0 | 0 | 0 | 0 | 108 | V394 A395 G396 I398 P421 K422 L425 | V379-V394 CarbonylContact O-C 3.58Å; V379-V394 VanDerWaalsContact O-CA 3.29Å; V379-V394 WeakPolarHBondContact O-CA 3.42Å; V379-V394 WeakPolarHBondContact O-CB 3.28Å; V379-A395 HydrophobicContact CG1-CB 4.47Å; V379-A395 PolarHBondContact O-N 3.46Å; V379-G396 PolarHBondContact N-O 2.91Å; V379-I398 HydrophobicContact CG2-CD1 4.25Å; V379-I398 HydrophobicContact CG2-CG1 4.37Å; V379-I398 HydrophobicContact CG2-CG2 4.19Å; V379-P421 HydrophobicContact CG1-CG 4.01Å; V379-K422 HydrophobicContact CG1-CB 3.93Å; V379-L425 HydrophobicContact CB-CD2 4.2Å; V379-L425 HydrophobicContact CG1-CD2 4.22Å; V379-L425 HydrophobicContact CG2-CD2 3.82Å |
| 380 | S | 96.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 145 | -176.2 | -176.2 | 0 | 0 | 0 | 0 | 111.8 | S378 A382 L389 K422 F424 | S378-S380 PolarHBondContact O-N 2.66Å; S380-A382 PolarHBondContact O-N 2.72Å; S380-A382 PolarHBondContact OG-N 2.72Å; S380-L389 VanDerWaalsContact OG-CD1 3.24Å; S380-L389 WeakPolarHBondContact OG-CD1 3.39Å; S380-K422 WeakPolarHBondContact O-CB 3.41Å; S380-K422 VanDerWaalsContact O-CG 3.25Å; S380-K422 WeakPolarHBondContact O-CG 3.3Å; S380-F424 PolarHBondContact N-O 2.81Å |
| 381 | T | 94.8 | Very high | 89.4 | Confident | 43 Ų | 43 | 45 Ų | 45 | 26% | 0.264 | 25% | 0.249 | S | C | . | . | trans | -79.2 | -3.1 | 174.4 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | T392 S393 A395 | T381-T392 WeakPolarHBondContact OG1-CG2 3.44Å; T381-S393 PolarHBondContact N-O 2.75Å; T381-S393 PolarHBondContact OG1-O 2.93Å; T381-S393 PolarHBondContact OG1-OG 2.88Å; T381-A395 HydrophobicContact CG2-CB 4.05Å | ||
| 382 | A | 91.5 | Very high | 89.4 | Confident | 10 Ų | 10 | 41.5 Ų | 41.5 | 8% | 0.083 | 23% | 0.232 | C | C | . | . | trans | -53 | 144.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S380 L389 T392 F424 | S380-A382 PolarHBondContact O-N 2.72Å; S380-A382 PolarHBondContact OG-N 2.72Å; A382-L389 HydrophobicContact CB-CD1 3.68Å; A382-T392 HydrophobicContact CB-CG2 3.88Å; A382-T392 VanDerWaalsContact N-CG2 3.35Å; A382-F424 HydrophobicContact CB-CD2 4.25Å | ||
| 383 | E | 82.5 | Confident | 89.5 | Confident | 156 Ų | 156 | 42.9 Ų | 42.9 | 73% | 0.729 | 24% | 0.242 | S | C | * | . | trans | -119.3 | 129.3 | 179 | -57.2 | -165.4 | 158.6 | 0 | 0 | 109.8 | T385 K422 | E383-T385 PolarHBondContact O-N 2.94Å; E383-K422 IonicContact OE1-NZ 2.76Å; E383-K422 PolarHBondContact OE1-NZ 2.9Å | ||
| 384 | G | 74 | Confident | 89.5 | Confident | 69 Ų | 69 | 41.9 Ų | 41.9 | 71% | 0.711 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 78.2 | -80.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 385 | T | 73.1 | Confident | 89.4 | Confident | 81 Ų | 81 | 41.7 Ų | 41.7 | 50% | 0.497 | 25% | 0.245 | S | C | . | . | trans | -100.5 | 153.9 | -165.2 | 55.1 | 0 | 0 | 0 | 0 | 113.7 | E383 E387 | E383-T385 PolarHBondContact O-N 2.94Å; T385-E387 PolarHBondContact O-N 3.19Å | ||
| 386 | E | 76.1 | Confident | 89.4 | Confident | 72 Ų | 72 | 41.4 Ų | 41.4 | 34% | 0.336 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -74.4 | -12.5 | 173.9 | -67.4 | 163.1 | -148.7 | 0 | 0 | 112.6 | K336 Y338 L363 N388 L389 F424 | K336-E386 IonicContact NZ-OE1 2.7Å; K336-E386 PolarHBondContact NZ-OE1 3.21Å; Y338-E386 HydrophobicContact CE1-CG 4.41Å; Y338-E386 WeakPolarHBondContact CE1-OE2 3.37Å; Y338-E386 HydrophobicContact CE2-CG 4.31Å; Y338-E386 VanDerWaalsContact CZ-CD 3.48Å; Y338-E386 PolarHBondContact OH-OE1 3.49Å; Y338-E386 PolarHBondContact OH-OE2 2.83Å; L363-E386 WeakPolarHBondContact CD1-O 3.28Å; E386-N388 PolarHBondContact O-N 3.12Å; E386-L389 PolarHBondContact O-N 3.05Å; E386-F424 HydrophobicContact CG-CD1 4.48Å; E386-F424 HydrophobicContact CG-CE1 3.59Å; E386-F424 HydrophobicContact CG-CZ 4.16Å |
| 387 | E | 71.1 | Confident | 89.4 | Confident | 146 Ų | 146 | 41.6 Ų | 41.6 | 68% | 0.682 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 125.8 | 176.3 | -63 | -176.8 | -177.9 | 0 | 0 | 110.2 | T385 L389 | T385-E387 PolarHBondContact O-N 3.19Å; E387-L389 PolarHBondContact O-N 3.13Å |
| 388 | N | 80.4 | Confident | 89.4 | Confident | 96 Ų | 96 | 41.7 Ų | 41.7 | 51% | 0.513 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 20.6 | 179 | -44.9 | -49.1 | 0 | 0 | 0 | 116.1 | E386 S390 E391 T392 | E386-N388 PolarHBondContact O-N 3.12Å; N388-S390 PolarHBondContact O-N 3.38Å; N388-S390 VanDerWaalsContact O-N 3.16Å; N388-E391 HydrophobicContact CB-CB 4.37Å; N388-E391 CarbonylContact O-C 3.58Å; N388-E391 WeakPolarHBondContact O-CA 3.27Å; N388-E391 PolarHBondContact O-N 3.22Å; N388-T392 PolarHBondContact O-N 2.85Å; N388-T392 PolarHBondContact O-OG1 2.87Å |
| 389 | L | 88.1 | Confident | 89.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -55.7 | -34.3 | 177 | -166 | 66.3 | 0 | 0 | 0 | 112.8 | Y338 L363 S380 A382 E386 E387 E391 T392 F424 L426 | Y338-L389 HydrophobicContact CD2-CD2 3.61Å; Y338-L389 HydrophobicContact CE2-CD2 4.33Å; Y338-L389 HydrophobicContact CG-CD2 4.04Å; L363-L389 HydrophobicContact CD1-CB 3.6Å; L363-L389 HydrophobicContact CD1-CD2 4.38Å; L363-L389 HydrophobicContact CD2-CB 4.19Å; L363-L389 HydrophobicContact CD2-CD2 4.4Å; S380-L389 VanDerWaalsContact OG-CD1 3.24Å; S380-L389 WeakPolarHBondContact OG-CD1 3.39Å; A382-L389 HydrophobicContact CB-CD1 3.68Å; E386-L389 PolarHBondContact O-N 3.05Å; E387-L389 PolarHBondContact O-N 3.13Å; L389-E391 PolarHBondContact O-N 2.75Å; L389-T392 PolarHBondContact O-N 2.68Å; L389-F424 HydrophobicContact CD1-CB 3.79Å; L389-F424 HydrophobicContact CD1-CG 4.15Å; L389-L426 HydrophobicContact CD2-CD2 3.55Å; L389-L426 HydrophobicContact CD2-CG 4.18Å; L389-L426 HydrophobicContact CG-CD1 4.32Å; L389-L426 HydrophobicContact CG-CD2 3.94Å; L389-L426 HydrophobicContact CG-CG 4.26Å |
| 390 | S | 86.9 | Confident | 89.4 | Confident | 12 Ų | 12 | 41.5 Ų | 41.5 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -69.3 | -16.7 | 175.5 | 55.3 | 0 | 0 | 0 | 0 | 114.6 | N388 | N388-S390 PolarHBondContact O-N 3.38Å; N388-S390 VanDerWaalsContact O-N 3.16Å |
| 391 | E | 89 | Confident | 89.4 | Confident | 36 Ų | 36 | 43.9 Ų | 43.9 | 17% | 0.168 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -110.9 | 8.2 | -178.5 | -56.1 | -177.4 | -134.3 | 0 | 0 | 112.4 | Y197 K213 R217 N388 L389 | Y197-E391 VanDerWaalsContact CE1-O 3.25Å; Y197-E391 WeakPolarHBondContact CE1-O 3.44Å; K213-E391 WeakPolarHBondContact CE-OE1 3Å; K213-E391 WeakPolarHBondContact CE-OE2 3.09Å; K213-E391 HydrophobicContact CG-CG 4.22Å; K213-E391 IonicContact NZ-OE1 2.66Å; K213-E391 PolarHBondContact NZ-OE1 2.83Å; K213-E391 IonicContact NZ-OE2 3.75Å; K213-E391 PolarHBondContact NZ-OE2 2.91Å; K213-E391 VanDerWaalsContact NZ-OE2 3.16Å; R217-E391 HydrophobicContact CG-CB 4.31Å; R217-E391 PolarHBondContact NE-O 2.92Å; N388-E391 HydrophobicContact CB-CB 4.37Å; N388-E391 CarbonylContact O-C 3.58Å; N388-E391 WeakPolarHBondContact O-CA 3.27Å; N388-E391 PolarHBondContact O-N 3.22Å; L389-E391 PolarHBondContact O-N 2.75Å |
| 392 | T | 94.3 | Very high | 89.5 | Confident | 30 Ų | 30 | 44.2 Ų | 44.2 | 18% | 0.184 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -100.6 | 140.3 | -178.6 | -57.8 | 0 | 0 | 0 | 0 | 109.7 | Y197 T381 A382 N388 L389 | Y197-T392 WeakPolarHBondContact CD1-O 3.48Å; T381-T392 WeakPolarHBondContact OG1-CG2 3.44Å; A382-T392 HydrophobicContact CB-CG2 3.88Å; A382-T392 VanDerWaalsContact N-CG2 3.35Å; N388-T392 PolarHBondContact O-N 2.85Å; N388-T392 PolarHBondContact O-OG1 2.87Å; L389-T392 PolarHBondContact O-N 2.68Å |
| 393 | S | 96.4 | Very high | 89.8 | Confident | 30 Ų | 30 | 44.8 Ų | 44.8 | 21% | 0.21 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -66.7 | 167.4 | 178.1 | 62.2 | 0 | 0 | 0 | 0 | 111 | V196 T381 | V196-S393 CarbonylContact O-C 3.54Å; V196-S393 VanDerWaalsContact O-CA 3.23Å; V196-S393 WeakPolarHBondContact O-CA 3.38Å; V196-S393 WeakPolarHBondContact O-CB 3.27Å; T381-S393 PolarHBondContact N-O 2.75Å; T381-S393 PolarHBondContact OG1-O 2.93Å; T381-S393 PolarHBondContact OG1-OG 2.88Å |
| 394 | V | 97.1 | Very high | 90.6 | Very high | 14 Ų | 14 | 40.2 Ų | 40.2 | 9% | 0.085 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 140.7 | 178.6 | -56.4 | 0 | 0 | 0 | 0 | 110.2 | V196 H198 V379 G396 F397 | V196-V394 HydrophobicContact CB-CG2 3.86Å; V196-V394 HydrophobicContact CG1-CG2 3.83Å; V196-V394 PolarHBondContact O-N 3.3Å; H198-V394 HydrophobicContact CB-CG1 4.05Å; V379-V394 CarbonylContact O-C 3.58Å; V379-V394 VanDerWaalsContact O-CA 3.29Å; V379-V394 WeakPolarHBondContact O-CA 3.42Å; V379-V394 WeakPolarHBondContact O-CB 3.28Å; V394-G396 VanDerWaalsContact C-N 3.31Å; V394-F397 HydrophobicContact CG2-CE1 4.09Å; V394-F397 HydrophobicContact CG2-CE2 4.13Å; V394-F397 HydrophobicContact CG2-CZ 3.56Å |
| 395 | A | 96.2 | Very high | 91.7 | Very high | 59 Ų | 59 | 40.5 Ų | 40.5 | 49% | 0.488 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -26.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V379 T381 P421 | V379-A395 HydrophobicContact CG1-CB 4.47Å; V379-A395 PolarHBondContact O-N 3.46Å; T381-A395 HydrophobicContact CG2-CB 4.05Å; A395-P421 HydrophobicContact CB-CG 4.28Å |
| 396 | G | 97.2 | Very high | 92.8 | Very high | 11 Ų | 11 | 44.8 Ų | 44.8 | 11% | 0.113 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.3 | -164.5 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y315 V379 V394 | Y315-G396 VanDerWaalsContact OH-CA 3.23Å; Y315-G396 WeakPolarHBondContact OH-CA 3.45Å; V379-G396 PolarHBondContact N-O 2.91Å; V394-G396 VanDerWaalsContact C-N 3.31Å |
| 397 | F | 98.2 | Very high | 93.8 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 148.2 | -174.9 | -52.2 | -87.5 | 0 | 0 | 0 | 110.6 | S169 I170 T173 V196 Y315 L377 S378 V394 P415 M428 | S169-F397 WeakPolarHBondContact OG-CE2 3.48Å; I170-F397 HydrophobicContact CD1-CB 3.92Å; I170-F397 HydrophobicContact CD1-CD1 3.38Å; I170-F397 HydrophobicContact CD1-CD2 3.78Å; I170-F397 HydrophobicContact CD1-CE1 3.77Å; I170-F397 HydrophobicContact CD1-CE2 4.17Å; I170-F397 HydrophobicContact CD1-CG 3.39Å; I170-F397 HydrophobicContact CD1-CZ 4.16Å; I170-F397 HydrophobicContact CG1-CD1 4.02Å; I170-F397 HydrophobicContact CG1-CD2 3.79Å; I170-F397 HydrophobicContact CG1-CE1 3.96Å; I170-F397 HydrophobicContact CG1-CE2 3.77Å; I170-F397 HydrophobicContact CG1-CG 3.93Å; I170-F397 HydrophobicContact CG1-CZ 3.85Å; T173-F397 HydrophobicContact CG2-CE1 3.7Å; T173-F397 HydrophobicContact CG2-CE2 4.33Å; T173-F397 HydrophobicContact CG2-CZ 3.38Å; V196-F397 HydrophobicContact CG1-CE2 4.33Å; V196-F397 HydrophobicContact CG1-CZ 3.89Å; Y315-F397 HydrophobicContact CE1-CB 3.79Å; Y315-F397 HydrophobicContact CE1-CD2 4.15Å; Y315-F397 HydrophobicContact CE1-CG 4.49Å; Y315-F397 AromaticContact CE2-CD2 3.97Å; Y315-F397 HydrophobicContact CE2-CD2 3.97Å; Y315-F397 AromaticContact CZ-CD2 3.72Å; Y315-F397 PolarHBondContact OH-N 2.89Å; L377-F397 VanDerWaalsContact O-CA 3.32Å; L377-F397 WeakPolarHBondContact O-CA 3.4Å; S378-F397 WeakPolarHBondContact OG-CD1 3.49Å; S378-F397 VanDerWaalsContact OG-CE1 3.27Å; S378-F397 WeakPolarHBondContact OG-CE1 3.33Å; V394-F397 HydrophobicContact CG2-CE1 4.09Å; V394-F397 HydrophobicContact CG2-CE2 4.13Å; V394-F397 HydrophobicContact CG2-CZ 3.56Å; F397-P415 VanDerWaalsContact O-CD 3.27Å; F397-P415 WeakPolarHBondContact O-CD 3.34Å; F397-M428 HydrophobicContact CD1-SD 3.99Å; F397-M428 HydrophobicContact CE1-CE 4.47Å; F397-M428 HydrophobicContact CE1-SD 4.16Å |
| 398 | I | 98.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 154.4 | 172.8 | 62.3 | -174.1 | 0 | 0 | 0 | 108.3 | L376 L377 V379 V412 L413 L420 L425 | L376-I398 CarbonylContact C-O 3.48Å; L376-I398 WeakPolarHBondContact CA-O 3.11Å; L377-I398 HydrophobicContact CB-CD1 4.41Å; L377-I398 HydrophobicContact CB-CG1 3.82Å; L377-I398 HydrophobicContact CD1-CD1 4.39Å; L377-I398 HydrophobicContact CD1-CG1 4.41Å; L377-I398 HydrophobicContact CG-CG1 4.45Å; L377-I398 PolarHBondContact N-O 2.95Å; L377-I398 PolarHBondContact O-N 3.32Å; V379-I398 HydrophobicContact CG2-CD1 4.25Å; V379-I398 HydrophobicContact CG2-CG1 4.37Å; V379-I398 HydrophobicContact CG2-CG2 4.19Å; I398-V412 HydrophobicContact CB-CB 4.34Å; I398-V412 HydrophobicContact CD1-CG1 4.06Å; I398-V412 HydrophobicContact CG1-CG1 4.46Å; I398-L413 WeakPolarHBondContact CA-O 3.49Å; I398-L420 HydrophobicContact CD1-CD1 3.98Å; I398-L420 HydrophobicContact CD1-CD2 3.95Å; I398-L420 HydrophobicContact CG2-CD2 4.05Å; I398-L425 HydrophobicContact CD1-CD1 4.23Å; I398-L425 HydrophobicContact CD1-CD2 4.3Å |
| 399 | V | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 135.6 | 172.8 | 58.3 | 0 | 0 | 0 | 0 | 109.7 | F316 L376 V412 L413 F432 | F316-V399 HydrophobicContact CE1-CG1 4.49Å; F316-V399 HydrophobicContact CE2-CG1 4.16Å; F316-V399 HydrophobicContact CZ-CB 4.24Å; F316-V399 HydrophobicContact CZ-CG1 3.93Å; L376-V399 HydrophobicContact CD2-CB 3.87Å; V399-V412 CarbonylContact O-C 3.57Å; V399-V412 WeakPolarHBondContact O-CA 3.27Å; V399-L413 HydrophobicContact CG1-CB 3.58Å; V399-L413 HydrophobicContact CG1-CD2 4.11Å; V399-L413 HydrophobicContact CG1-CG 4.41Å; V399-L413 PolarHBondContact N-O 3.3Å; V399-L413 VanDerWaalsContact N-O 3.11Å; V399-L413 PolarHBondContact O-N 2.94Å; V399-F432 HydrophobicContact CG1-CD1 4.13Å; V399-F432 HydrophobicContact CG2-CB 4.27Å; V399-F432 HydrophobicContact CG2-CD1 4.41Å; V399-F432 WeakPolarHBondContact CG2-O 3.35Å |
| 400 | V | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 120 | 175.3 | 179.3 | 0 | 0 | 0 | 0 | 109.1 | M372 H374 H375 L377 V403 F410 | M372-V400 HydrophobicContact CE-CG2 4.23Å; M372-V400 WeakPolarHBondContact O-CB 3.43Å; H374-V400 VanDerWaalsContact CA-O 3.27Å; H374-V400 WeakPolarHBondContact CA-O 3.41Å; H374-V400 PolarHBondContact N-O 3.4Å; H375-V400 PolarHBondContact O-N 3.37Å; H375-V400 VanDerWaalsContact O-N 3.13Å; L377-V400 HydrophobicContact CD1-CG2 3.7Å; L377-V400 HydrophobicContact CG-CG2 4.11Å; V400-V403 HydrophobicContact CG1-CG2 3.68Å; V400-F410 HydrophobicContact CG1-CB 4.12Å; V400-F410 HydrophobicContact CG2-CD2 4.21Å |
| 401 | T | 97.2 | Very high | 96.8 | Very high | 49 Ų | 49 | 42.4 Ų | 42.4 | 30% | 0.301 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -30.2 | -179 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | T411 L413 | T401-T411 PolarHBondContact N-O 2.86Å; T401-T411 WeakPolarHBondContact OG1-CB 3.44Å; T401-T411 WeakPolarHBondContact OG1-CG2 3.45Å; T401-T411 PolarHBondContact OG1-O 3.36Å; T401-L413 HydrophobicContact CG2-CB 4.15Å |
| 402 | S | 97.3 | Very high | 97.2 | Very high | 51 Ų | 51 | 40.7 Ų | 40.7 | 36% | 0.357 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 159.9 | 172.9 | 72.5 | 0 | 0 | 0 | 0 | 111.8 | F410 T411 | S402-F410 CarbonylContact O-C 3.53Å; S402-F410 VanDerWaalsContact O-CA 3.3Å; S402-F410 WeakPolarHBondContact O-CA 3.31Å; S402-F410 WeakPolarHBondContact O-CB 3.32Å; S402-T411 PolarHBondContact O-N 2.85Å; S402-T411 VanDerWaalsContact OG-CB 3.28Å; S402-T411 WeakPolarHBondContact OG-CB 3.48Å; S402-T411 PolarHBondContact OG-OG1 3.18Å |
| 403 | V | 97.9 | Very high | 97.4 | Very high | 22 Ų | 22 | 39.8 Ų | 39.8 | 13% | 0.133 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 124.8 | 178.5 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | F332 V373 V400 L405 F410 | F332-V403 HydrophobicContact CE1-CG1 4.26Å; F332-V403 HydrophobicContact CZ-CG1 3.82Å; V373-V403 HydrophobicContact CG2-CB 4.29Å; V373-V403 HydrophobicContact CG2-CG2 3.77Å; V400-V403 HydrophobicContact CG1-CG2 3.68Å; V403-L405 HydrophobicContact CG1-CD2 3.98Å; V403-F410 HydrophobicContact CG2-CB 3.97Å |
| 404 | D | 97.7 | Very high | 97.4 | Very high | 59 Ų | 59 | 38.7 Ų | 38.7 | 32% | 0.316 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 107.4 | 175.6 | -173.8 | -26.7 | 0 | 0 | 0 | 109.4 | E406 H407 Q408 V409 | D404-E406 WeakPolarHBondContact OD1-CB 3.47Å; D404-E406 PolarHBondContact OD1-N 3.07Å; D404-H407 VanDerWaalsContact CG-ND1 3.34Å; D404-H407 IonicContact OD1-CG 2.78Å; D404-H407 PolarHBondContact OD1-N 3.24Å; D404-H407 IonicContact OD1-ND1 2.76Å; D404-H407 PolarHBondContact OD1-ND1 2.85Å; D404-H407 IonicContact OD2-CE1 2.64Å; D404-H407 IonicContact OD2-CG 3.72Å; D404-H407 IonicContact OD2-ND1 2.88Å; D404-H407 PolarHBondContact OD2-ND1 2.95Å; D404-Q408 WeakPolarHBondContact O-CA 3.21Å; D404-Q408 PolarHBondContact O-N 3.18Å; D404-V409 HydrophobicContact CB-CG2 3.87Å; D404-V409 PolarHBondContact N-O 3.25Å; D404-V409 PolarHBondContact O-N 2.84Å; D404-V409 VanDerWaalsContact O-O 3.13Å |
| 405 | L | 96.9 | Very high | 97.4 | Very high | 75 Ų | 75 | 40.5 Ų | 40.5 | 39% | 0.393 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -23.6 | -178.8 | -61.7 | 178.4 | 0 | 0 | 0 | 112.8 | F332 R370 V403 Q408 | F332-L405 HydrophobicContact CE2-CD2 4.17Å; F332-L405 HydrophobicContact CZ-CD2 4.19Å; R370-L405 HydrophobicContact CG-CD1 4.19Å; V403-L405 HydrophobicContact CG1-CD2 3.98Å; L405-Q408 PolarHBondContact O-NE2 2.92Å |
| 406 | E | 96.8 | Very high | 97.3 | Very high | 171 Ų | 171 | 39.8 Ų | 39.8 | 80% | 0.799 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -46.1 | 179.6 | -175.5 | 174.7 | -175.7 | 0 | 0 | 109.7 | D404 Q408 | D404-E406 WeakPolarHBondContact OD1-CB 3.47Å; D404-E406 PolarHBondContact OD1-N 3.07Å; E406-Q408 VanDerWaalsContact C-N 3.35Å |
| 407 | H | 97.1 | Very high | 97.2 | Very high | 124 Ų | 124 | 43.1 Ų | 43.1 | 57% | 0.574 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -3.1 | 178.1 | -60.5 | 95.4 | 0 | 0 | 0 | 113.7 | D404 V409 | D404-H407 VanDerWaalsContact CG-ND1 3.34Å; D404-H407 IonicContact OD1-CG 2.78Å; D404-H407 PolarHBondContact OD1-N 3.24Å; D404-H407 IonicContact OD1-ND1 2.76Å; D404-H407 PolarHBondContact OD1-ND1 2.85Å; D404-H407 IonicContact OD2-CE1 2.64Å; D404-H407 IonicContact OD2-CG 3.72Å; D404-H407 IonicContact OD2-ND1 2.88Å; D404-H407 PolarHBondContact OD2-ND1 2.95Å; H407-V409 VanDerWaalsContact C-N 3.31Å; H407-V409 HydrophobicContact CB-CG2 3.99Å; H407-V409 PolarHBondContact O-N 2.82Å |
| 408 | Q | 97.6 | Very high | 96.9 | Very high | 103 Ų | 103 | 52.2 Ų | 52.2 | 48% | 0.481 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 45.2 | -178.8 | -61.8 | -79.2 | -62.4 | 0 | 0 | 112.6 | F332 D404 L405 E406 | F332-Q408 WeakPolarHBondContact CD1-O 3.27Å; F332-Q408 HydrophobicContact CD2-CB 3.86Å; F332-Q408 HydrophobicContact CD2-CG 4.38Å; F332-Q408 HydrophobicContact CE2-CB 4.19Å; F332-Q408 HydrophobicContact CG-CB 4.25Å; F332-Q408 WeakPolarHBondContact CG-O 3.39Å; F332-Q408 PolarHBondContact N-O 2.92Å; D404-Q408 WeakPolarHBondContact O-CA 3.21Å; D404-Q408 PolarHBondContact O-N 3.18Å; L405-Q408 PolarHBondContact O-NE2 2.92Å; E406-Q408 VanDerWaalsContact C-N 3.35Å |
| 409 | V | 97.8 | Very high | 96.7 | Very high | 19 Ų | 19 | 57.5 Ų | 57.5 | 12% | 0.115 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 153.3 | 178.9 | -64.2 | 0 | 0 | 0 | 0 | 111.1 | N329 V330 K331 F332 D404 H407 | N329-V409 HydrophobicContact CB-CB 4.37Å; V330-V409 CarbonylContact O-C 3.53Å; V330-V409 VanDerWaalsContact O-CA 3.26Å; V330-V409 WeakPolarHBondContact O-CA 3.46Å; K331-V409 HydrophobicContact CB-CG1 4.42Å; K331-V409 HydrophobicContact CG-CG1 3.93Å; F332-V409 WeakPolarHBondContact CE1-O 3.48Å; D404-V409 HydrophobicContact CB-CG2 3.87Å; D404-V409 PolarHBondContact N-O 3.25Å; D404-V409 PolarHBondContact O-N 2.84Å; D404-V409 VanDerWaalsContact O-O 3.13Å; H407-V409 VanDerWaalsContact C-N 3.31Å; H407-V409 HydrophobicContact CB-CG2 3.99Å; H407-V409 PolarHBondContact O-N 2.82Å |
| 410 | F | 97.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 144.1 | 164.1 | 57.9 | -101.7 | 0 | 0 | 0 | 110.1 | N329 V330 F332 V335 I337 V400 S402 V403 V412 L425 | N329-F410 WeakPolarHBondContact CA-O 3.37Å; V330-F410 HydrophobicContact CB-CD2 4.1Å; V330-F410 HydrophobicContact CB-CE1 4.45Å; V330-F410 HydrophobicContact CB-CE2 3.58Å; V330-F410 HydrophobicContact CB-CZ 3.77Å; V330-F410 HydrophobicContact CG1-CE1 4.29Å; V330-F410 HydrophobicContact CG1-CE2 3.94Å; V330-F410 HydrophobicContact CG1-CZ 3.62Å; V330-F410 HydrophobicContact CG2-CE2 4.08Å; V330-F410 PolarHBondContact N-O 2.9Å; V330-F410 PolarHBondContact O-N 2.83Å; F332-F410 AromaticContact CD1-CD1 3.63Å; F332-F410 HydrophobicContact CD1-CD1 3.63Å; F332-F410 HydrophobicContact CD1-CE1 4.14Å; F332-F410 HydrophobicContact CE1-CB 4.21Å; F332-F410 AromaticContact CE1-CD1 3.65Å; F332-F410 HydrophobicContact CE1-CD1 3.65Å; F332-F410 HydrophobicContact CE1-CG 4.4Å; V335-F410 HydrophobicContact CG2-CE1 3.85Å; V335-F410 HydrophobicContact CG2-CZ 3.84Å; I337-F410 HydrophobicContact CD1-CE1 4.12Å; I337-F410 HydrophobicContact CD1-CZ 4.45Å; V400-F410 HydrophobicContact CG1-CB 4.12Å; V400-F410 HydrophobicContact CG2-CD2 4.21Å; S402-F410 CarbonylContact O-C 3.53Å; S402-F410 VanDerWaalsContact O-CA 3.3Å; S402-F410 WeakPolarHBondContact O-CA 3.31Å; S402-F410 WeakPolarHBondContact O-CB 3.32Å; V403-F410 HydrophobicContact CG2-CB 3.97Å; F410-V412 HydrophobicContact CD2-CG1 3.36Å; F410-V412 HydrophobicContact CE2-CG1 3.34Å; F410-L425 HydrophobicContact CZ-CD1 4.25Å |
| 411 | T | 97.4 | Very high | 96.2 | Very high | 30 Ų | 30 | 62.9 Ų | 62.9 | 18% | 0.184 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 133.9 | 173 | -47.6 | 0 | 0 | 0 | 0 | 108.4 | N329 T401 S402 | N329-T411 PolarHBondContact OD1-OG1 2.84Å; T401-T411 PolarHBondContact N-O 2.86Å; T401-T411 WeakPolarHBondContact OG1-CB 3.44Å; T401-T411 WeakPolarHBondContact OG1-CG2 3.45Å; T401-T411 PolarHBondContact OG1-O 3.36Å; S402-T411 PolarHBondContact O-N 2.85Å; S402-T411 VanDerWaalsContact OG-CB 3.28Å; S402-T411 WeakPolarHBondContact OG-CB 3.48Å; S402-T411 PolarHBondContact OG-OG1 3.18Å |
| 412 | V | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 150.4 | 174.2 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | A327 F328 V330 I398 V399 F410 | A327-V412 VanDerWaalsContact CA-O 3.27Å; A327-V412 WeakPolarHBondContact CA-O 3.38Å; F328-V412 HydrophobicContact CD2-CG2 4.17Å; F328-V412 HydrophobicContact CE1-CG2 4.39Å; F328-V412 HydrophobicContact CE2-CG2 3.87Å; F328-V412 HydrophobicContact CZ-CG2 4Å; F328-V412 PolarHBondContact N-O 3.16Å; F328-V412 PolarHBondContact O-N 2.91Å; V330-V412 HydrophobicContact CG2-CG1 4.39Å; V330-V412 HydrophobicContact CG2-CG2 3.97Å; I398-V412 HydrophobicContact CB-CB 4.34Å; I398-V412 HydrophobicContact CD1-CG1 4.06Å; I398-V412 HydrophobicContact CG1-CG1 4.46Å; V399-V412 CarbonylContact O-C 3.57Å; V399-V412 WeakPolarHBondContact O-CA 3.27Å; F410-V412 HydrophobicContact CD2-CG1 3.36Å; F410-V412 HydrophobicContact CE2-CG1 3.34Å |
| 413 | L | 97.8 | Very high | 95.8 | Very high | 11 Ų | 11 | 64.3 Ų | 64.3 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 128.9 | 156 | -172.8 | 74 | 0 | 0 | 0 | 108.1 | F316 Y317 P325 H326 I398 V399 T401 | F316-L413 HydrophobicContact CB-CD2 4.25Å; F316-L413 HydrophobicContact CD1-CD2 4.09Å; F316-L413 HydrophobicContact CD1-CG 4.18Å; F316-L413 HydrophobicContact CD2-CD2 4.44Å; F316-L413 HydrophobicContact CG-CD2 4.01Å; Y317-L413 HydrophobicContact CE2-CD2 4.39Å; P325-L413 HydrophobicContact CB-CD1 3.74Å; P325-L413 HydrophobicContact CB-CD2 4.49Å; P325-L413 HydrophobicContact CB-CG 3.98Å; P325-L413 HydrophobicContact CG-CD1 3.86Å; P325-L413 HydrophobicContact CG-CD2 4.43Å; P325-L413 HydrophobicContact CG-CG 4.32Å; H326-L413 CarbonylContact O-C 3.55Å; H326-L413 WeakPolarHBondContact O-CA 3.32Å; I398-L413 WeakPolarHBondContact CA-O 3.49Å; V399-L413 HydrophobicContact CG1-CB 3.58Å; V399-L413 HydrophobicContact CG1-CD2 4.11Å; V399-L413 HydrophobicContact CG1-CG 4.41Å; V399-L413 PolarHBondContact N-O 3.3Å; V399-L413 VanDerWaalsContact N-O 3.11Å; V399-L413 PolarHBondContact O-N 2.94Å; T401-L413 HydrophobicContact CG2-CB 4.15Å |
| 414 | S | 97.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 63.4 Ų | 63.4 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 140.8 | -177.1 | -172.8 | 0 | 0 | 0 | 0 | 110.9 | P325 H326 A416 | P325-S414 CarbonylContact C-O 3.56Å; P325-S414 WeakPolarHBondContact CA-O 3.26Å; H326-S414 PolarHBondContact N-O 3.39Å; H326-S414 PolarHBondContact O-N 3.14Å; S414-A416 WeakPolarHBondContact CB-O 3.34Å; S414-A416 PolarHBondContact O-N 3.05Å; S414-A416 PolarHBondContact OG-N 3.03Å; S414-A416 PolarHBondContact OG-O 2.98Å; S414-A416 VanDerWaalsContact OG-O 3.12Å |
| 415 | P | 95.7 | Very high | 95.7 | Very high | 53 Ų | 53 | 60.6 Ų | 60.6 | 34% | 0.344 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -68.3 | -15.7 | 173.9 | 30.3 | -37.1 | 0 | 0 | 0 | 112.9 | Y315 F397 | Y315-P415 HydrophobicContact CE1-CG 3.98Å; F397-P415 VanDerWaalsContact O-CD 3.27Å; F397-P415 WeakPolarHBondContact O-CD 3.34Å |
| 416 | A | 94.7 | Very high | 95.7 | Very high | 43 Ų | 43 | 57.1 Ų | 57.1 | 36% | 0.355 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -121 | 152.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | S414 | S414-A416 WeakPolarHBondContact CB-O 3.34Å; S414-A416 PolarHBondContact O-N 3.05Å; S414-A416 PolarHBondContact OG-N 3.03Å; S414-A416 PolarHBondContact OG-O 2.98Å; S414-A416 VanDerWaalsContact OG-O 3.12Å |
| 417 | P | 94.6 | Very high | 95.7 | Very high | 81 Ų | 81 | 49.7 Ų | 49.7 | 53% | 0.526 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 163.8 | 176.1 | 30 | -35.3 | 0 | 0 | 0 | 111.3 | H326 | H326-P417 VanDerWaalsContact CD2-N 3.29Š|
| 418 | R | 93 | Very high | 95.8 | Very high | 196 Ų | 196 | 43.8 Ų | 43.8 | 74% | 0.74 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -60.3 | 153.2 | 173.5 | 75.7 | -178.6 | -155.6 | -161.4 | 3.7 | 111.8 | F328 | F328-R418 HydrophobicContact CD1-CB 4.15Å; F328-R418 HydrophobicContact CD2-CB 3.82Å; F328-R418 HydrophobicContact CE1-CB 4.18Å; F328-R418 HydrophobicContact CE2-CB 3.86Å; F328-R418 HydrophobicContact CG-CB 3.96Å; F328-R418 HydrophobicContact CZ-CB 4.04Å |
| 419 | P | 93.1 | Very high | 95.7 | Very high | 112 Ų | 112 | 42.7 Ų | 42.7 | 73% | 0.727 | 24% | 0.236 | S | C | * | . | S | Bend | cis | -77.4 | 166.8 | -4.4 | 33.7 | -35.6 | 0 | 0 | 0 | 112.3 | ||
| 420 | L | 93.4 | Very high | 95.6 | Very high | 27 Ų | 27 | 42.5 Ų | 42.5 | 14% | 0.141 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -59.2 | 141.2 | 168.1 | -67.4 | 177.9 | 0 | 0 | 0 | 109.7 | F328 V330 V335 I398 K422 | F328-L420 HydrophobicContact CE2-CD2 4.26Å; F328-L420 HydrophobicContact CE2-CG 4.34Å; F328-L420 HydrophobicContact CZ-CD2 3.97Å; F328-L420 HydrophobicContact CZ-CG 4.48Å; V330-L420 HydrophobicContact CG1-CD1 4.06Å; V330-L420 HydrophobicContact CG2-CD1 4Å; V330-L420 HydrophobicContact CG2-CG 4.32Å; V335-L420 HydrophobicContact CG1-CD1 4.04Å; I398-L420 HydrophobicContact CD1-CD1 3.98Å; I398-L420 HydrophobicContact CD1-CD2 3.95Å; I398-L420 HydrophobicContact CG2-CD2 4.05Å; L420-K422 PolarHBondContact O-N 3.16Å |
| 421 | P | 91.6 | Very high | 95.5 | Very high | 87 Ų | 87 | 49.3 Ų | 49.3 | 57% | 0.565 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -69.1 | -24 | -175.4 | 26.8 | -34.6 | 0 | 0 | 0 | 113 | V379 A395 | V379-P421 HydrophobicContact CG1-CG 4.01Å; A395-P421 HydrophobicContact CB-CG 4.28Å |
| 422 | K | 93.4 | Very high | 95.4 | Very high | 59 Ų | 59 | 48.2 Ų | 48.2 | 26% | 0.257 | 25% | 0.253 | S | S | . | . | trans | -146.2 | 159.2 | -178.5 | -60.4 | -73.3 | -178 | 165.1 | 0 | 109.7 | V379 S380 E383 L420 | V379-K422 HydrophobicContact CG1-CB 3.93Å; S380-K422 WeakPolarHBondContact O-CB 3.41Å; S380-K422 VanDerWaalsContact O-CG 3.25Å; S380-K422 WeakPolarHBondContact O-CG 3.3Å; E383-K422 IonicContact OE1-NZ 2.76Å; E383-K422 PolarHBondContact OE1-NZ 2.9Å; L420-K422 PolarHBondContact O-N 3.16Å | ||
| 423 | N | 93.1 | Very high | 95.2 | Very high | 71 Ų | 71 | 53.4 Ų | 53.4 | 38% | 0.38 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -103.7 | -10.3 | -173.8 | 62.8 | -23.5 | 0 | 0 | 0 | 114.3 | D334 V335 K336 | D334-N423 WeakPolarHBondContact O-CB 3.48Å; V335-N423 CarbonylContact C-O 3.55Å; V335-N423 VanDerWaalsContact CA-O 3.28Å; V335-N423 WeakPolarHBondContact CA-O 3.41Å; K336-N423 PolarHBondContact N-O 2.78Å |
| 424 | F | 96.4 | Very high | 94.4 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 121.3 | 174.8 | -70.9 | -71.6 | 0 | 0 | 0 | 111.3 | K336 Y338 S380 A382 E386 L389 | K336-F424 HydrophobicContact CB-CD1 4.09Å; K336-F424 HydrophobicContact CB-CE1 4.25Å; K336-F424 HydrophobicContact CD-CD1 4.16Å; K336-F424 HydrophobicContact CD-CE1 3.51Å; K336-F424 HydrophobicContact CD-CZ 4.18Å; Y338-F424 AromaticContact CE2-CD1 3.88Å; Y338-F424 HydrophobicContact CE2-CD1 3.88Å; Y338-F424 HydrophobicContact CE2-CE1 4.19Å; S380-F424 PolarHBondContact N-O 2.81Å; A382-F424 HydrophobicContact CB-CD2 4.25Å; E386-F424 HydrophobicContact CG-CD1 4.48Å; E386-F424 HydrophobicContact CG-CE1 3.59Å; E386-F424 HydrophobicContact CG-CZ 4.16Å; L389-F424 HydrophobicContact CD1-CB 3.79Å; L389-F424 HydrophobicContact CD1-CG 4.15Å |
| 425 | L | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 139.6 | -178.8 | -55.4 | -177.1 | 0 | 0 | 0 | 110.9 | V335 K336 I337 Y338 L377 S378 V379 I398 F410 | V335-L425 HydrophobicContact CB-CD1 3.93Å; V335-L425 HydrophobicContact CB-CG 4.29Å; V335-L425 HydrophobicContact CG1-CD1 3.96Å; V335-L425 HydrophobicContact CG1-CG 4.41Å; V335-L425 HydrophobicContact CG2-CD1 4.1Å; K336-L425 PolarHBondContact O-N 2.97Å; I337-L425 CarbonylContact C-O 3.5Å; I337-L425 WeakPolarHBondContact CA-O 3.28Å; I337-L425 HydrophobicContact CD1-CD1 4.42Å; I337-L425 HydrophobicContact CG1-CB 4.25Å; I337-L425 HydrophobicContact CG1-CD1 4.33Å; I337-L425 HydrophobicContact CG2-CB 4.39Å; Y338-L425 PolarHBondContact N-O 2.79Å; L377-L425 HydrophobicContact CB-CB 4.47Å; L377-L425 HydrophobicContact CD1-CD1 3.79Å; S378-L425 CarbonylContact O-C 2.99Å; S378-L425 WeakPolarHBondContact O-CA 3.42Å; V379-L425 HydrophobicContact CB-CD2 4.2Å; V379-L425 HydrophobicContact CG1-CD2 4.22Å; V379-L425 HydrophobicContact CG2-CD2 3.82Å; I398-L425 HydrophobicContact CD1-CD1 4.23Å; I398-L425 HydrophobicContact CD1-CD2 4.3Å; F410-L425 HydrophobicContact CZ-CD1 4.25Å |
| 426 | L | 97.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 119 | 173.4 | -66.9 | 171.6 | 0 | 0 | 0 | 110 | H198 Y338 V340 L363 L377 S378 L389 | H198-L426 HydrophobicContact CB-CB 4.47Å; H198-L426 HydrophobicContact CB-CD1 3.58Å; Y338-L426 CarbonylContact O-C 3.46Å; Y338-L426 VanDerWaalsContact O-CA 3.32Å; Y338-L426 WeakPolarHBondContact O-CA 3.32Å; V340-L426 HydrophobicContact CG2-CD2 3.93Å; L363-L426 HydrophobicContact CD2-CD2 4.44Å; L377-L426 CarbonylContact C-O 3.59Å; L377-L426 WeakPolarHBondContact CA-O 3.27Å; S378-L426 PolarHBondContact N-O 3.13Å; S378-L426 PolarHBondContact O-N 2.91Å; L389-L426 HydrophobicContact CD2-CD2 3.55Å; L389-L426 HydrophobicContact CD2-CG 4.18Å; L389-L426 HydrophobicContact CG-CD1 4.32Å; L389-L426 HydrophobicContact CG-CD2 3.94Å; L389-L426 HydrophobicContact CG-CG 4.26Å |
| 427 | I | 97.4 | Very high | 90.7 | Very high | 16 Ų | 16 | 72.3 Ų | 72.3 | 8% | 0.082 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 133 | 178.4 | -168.5 | 164.8 | 0 | 0 | 0 | 110.9 | H198 I337 Y338 K339 V366 M372 H375 L377 | H198-I427 PolarHBondContact CE1-O 2.9Å; I337-I427 HydrophobicContact CG2-CB 4.34Å; Y338-I427 PolarHBondContact O-N 2.98Å; K339-I427 HydrophobicContact CB-CG2 3.73Å; K339-I427 HydrophobicContact CD-CG2 4.29Å; K339-I427 HydrophobicContact CG-CG2 4.18Å; V366-I427 HydrophobicContact CG2-CG2 3.98Å; M372-I427 HydrophobicContact CG-CD1 4.11Å; H375-I427 HydrophobicContact CB-CD1 4.03Å; H375-I427 HydrophobicContact CB-CG1 4Å; L377-I427 HydrophobicContact CD2-CB 3.73Å; L377-I427 HydrophobicContact CD2-CD1 4.25Å; L377-I427 HydrophobicContact CD2-CG1 3.69Å |
| 428 | M | 97.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 151.6 | 175.9 | -53.8 | -178.2 | 81.9 | 0 | 0 | 110 | I170 P171 G172 T173 H375 L376 F397 I430 | I170-M428 HydrophobicContact CD1-CE 4.18Å; I170-M428 HydrophobicContact CD1-SD 3.88Å; P171-M428 VanDerWaalsContact O-CE 3.3Å; P171-M428 WeakPolarHBondContact O-CE 3.46Å; G172-M428 WeakPolarHBondContact O-CE 3.31Å; T173-M428 HydrophobicContact CG2-CE 4.15Å; H375-M428 PolarHBondContact ND1-O 2.98Å; L376-M428 HydrophobicContact CB-CB 4.24Å; L376-M428 HydrophobicContact CB-CG 4.25Å; L376-M428 HydrophobicContact CB-SD 3.73Å; L376-M428 WeakPolarHBondContact O-CB 3.44Å; L376-M428 WeakPolarHBondContact O-CG 3.48Å; L376-M428 PolarHBondContact O-N 3.12Å; F397-M428 HydrophobicContact CD1-SD 3.99Å; F397-M428 HydrophobicContact CE1-CE 4.47Å; F397-M428 HydrophobicContact CE1-SD 4.16Å; M428-I430 HydrophobicContact CB-CB 4.3Å; M428-I430 HydrophobicContact CE-CD1 4.09Å; M428-I430 PolarHBondContact O-N 2.76Å |
| 429 | D | 95.4 | Very high | 90.4 | Very high | 79 Ų | 79 | 64.9 Ų | 64.9 | 42% | 0.422 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 1.9 | 169.9 | -69.8 | -25.5 | 0 | 0 | 0 | 112.3 | G200 K339 | G200-D429 PolarHBondContact O-N 3.37Å; K339-D429 IonicContact NZ-OD1 2.71Å; K339-D429 PolarHBondContact NZ-OD1 2.99Å; K339-D429 IonicContact NZ-OD2 3.16Å |
| 430 | I | 96.4 | Very high | 90.2 | Very high | 16 Ų | 16 | 62.2 Ų | 62.2 | 8% | 0.082 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 134.1 | -178.5 | -57.3 | 173.3 | 0 | 0 | 0 | 109 | P171 T202 I312 L376 M428 | P171-I430 HydrophobicContact CB-CD1 4.1Å; P171-I430 WeakPolarHBondContact O-CD1 3.23Å; T202-I430 HydrophobicContact CG2-CD1 3.74Å; T202-I430 HydrophobicContact CG2-CG1 3.98Å; I312-I430 HydrophobicContact CD1-CG2 3.85Å; L376-I430 HydrophobicContact CD1-CB 4.29Å; L376-I430 HydrophobicContact CD1-CG2 3.82Å; L376-I430 PolarHBondContact N-O 3.12Å; L376-I430 VanDerWaalsContact N-O 3.12Å; M428-I430 HydrophobicContact CB-CB 4.3Å; M428-I430 HydrophobicContact CE-CD1 4.09Å; M428-I430 PolarHBondContact O-N 2.76Å |
| 431 | R | 95.9 | Very high | 90.1 | Very high | 144 Ų | 144 | 64.4 Ų | 64.4 | 54% | 0.543 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 147.1 | 178.8 | -64.8 | -178.3 | 177.4 | -173.1 | -5.2 | 111.2 | H374 H375 | H374-R431 HydrophobicContact CB-CB 4.31Å; H374-R431 CarbonylContact O-C 3.55Å; H374-R431 WeakPolarHBondContact O-CA 3.41Å; H374-R431 WeakPolarHBondContact O-CB 3.47Å; H375-R431 PolarHBondContact CD2-NE 3.17Å; H375-R431 VanDerWaalsContact NE2-CZ 3.34Å; H375-R431 PolarHBondContact NE2-NE 3.23Å; H375-R431 PolarHBondContact NE2-NH2 2.82Å |
| 432 | F | 95.6 | Very high | 89.9 | Confident | 6 Ų | 6 | 62.9 Ų | 62.9 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | trans | -136.6 | 124.3 | 174.3 | 177 | -104.5 | 0 | 0 | 0 | 109.5 | I312 R313 F316 H374 L376 V399 D434 | I312-F432 HydrophobicContact CB-CD2 3.94Å; I312-F432 HydrophobicContact CB-CE2 4.34Å; I312-F432 HydrophobicContact CB-CG 4.42Å; I312-F432 HydrophobicContact CG2-CB 3.83Å; I312-F432 HydrophobicContact CG2-CD1 4.07Å; I312-F432 HydrophobicContact CG2-CD2 3.5Å; I312-F432 HydrophobicContact CG2-CE2 4.03Å; I312-F432 HydrophobicContact CG2-CG 3.52Å; R313-F432 HydrophobicContact CB-CE2 4.25Å; R313-F432 HydrophobicContact CB-CZ 4.36Å; F316-F432 HydrophobicContact CD2-CE1 4.35Å; F316-F432 HydrophobicContact CE2-CD1 4.48Å; H374-F432 WeakPolarHBondContact CB-O 3.35Å; H374-F432 PolarHBondContact O-N 3.28Å; L376-F432 HydrophobicContact CD1-CB 4.46Å; L376-F432 HydrophobicContact CG-CB 4.43Å; V399-F432 HydrophobicContact CG1-CD1 4.13Å; V399-F432 HydrophobicContact CG2-CB 4.27Å; V399-F432 HydrophobicContact CG2-CD1 4.41Å; V399-F432 WeakPolarHBondContact CG2-O 3.35Å; F432-D434 HydrophobicContact CE1-CB 3.98Å | ||
| 433 | M | 92.5 | Very high | 89.7 | Confident | 109 Ų | 109 | 63.1 Ų | 63.1 | 54% | 0.537 | 30% | 0.298 | S | S | . | . | trans | -104.2 | 115.5 | 172.6 | -67.5 | -175.6 | -61 | 0 | 0 | 107.8 | H374 L435 | H374-M433 HydrophobicContact CB-CG 4.1Å; M433-L435 VanDerWaalsContact C-N 3.26Å; M433-L435 HydrophobicContact CB-CG 4.37Å; M433-L435 PolarHBondContact O-N 3.31Å | ||
| 434 | D | 81.6 | Confident | 89.4 | Confident | 49 Ų | 49 | 62.5 Ų | 62.5 | 26% | 0.262 | 29% | 0.292 | S | S | . | . | trans | -73.9 | 83.9 | 172.8 | -171.9 | 40.9 | 0 | 0 | 0 | 109 | Y317 F432 K436 | Y317-D434 WeakPolarHBondContact CE2-OD1 3.37Å; Y317-D434 PolarHBondContact OH-OD1 3.14Å; Y317-D434 PolarHBondContact OH-OD2 3.48Å; F432-D434 HydrophobicContact CE1-CB 3.98Å; D434-K436 PolarHBondContact O-N 3.41Å | ||
| 435 | L | 68.9 | Low | 88.9 | Confident | 136 Ų | 136 | 67.4 Ų | 67.4 | 71% | 0.712 | 31% | 0.314 | S | S | * | . | trans | -80.9 | 103.8 | 172.2 | -62.9 | 173.8 | 0 | 0 | 0 | 107.1 | M433 | M433-L435 VanDerWaalsContact C-N 3.26Å; M433-L435 HydrophobicContact CB-CG 4.37Å; M433-L435 PolarHBondContact O-N 3.31Å | ||
| 436 | K | 50.4 | Low | 88.1 | Confident | 253 Ų | 253 | 73.5 Ų | 73.5 | 100% | 1.1 | 34% | 0.343 | S | S | * | . | trans | -67.6 | 0 | 170.2 | -78 | -170.9 | 176.5 | -177 | 0 | 112.1 | D434 | D434-K436 PolarHBondContact O-N 3.41Š|
Retrieved 436 of 436 residues in 81.6 ms
(Link to these results)