| 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 | 52.2 | Low | 50.6 | Low | 246 Ų | 246 | 159.2 Ų | 159.2 | 100% | 1.212 | 86% | 0.86 | S | S | * | * | 0 | 117.1 | 0 | -107.7 | 78.3 | 159.8 | 0 | 0 | 109.2 | |||||
| 2 | A | 51.4 | Low | 49.3 | Very low | 93 Ų | 93 | 154.4 Ų | 154.4 | 77% | 0.769 | 86% | 0.859 | S | S | * | * | trans | -154.6 | 118.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 3 | P | 68.5 | Low | 48.6 | Very low | 119 Ų | 119 | 149.4 Ų | 149.4 | 77% | 0.773 | 85% | 0.849 | S | S | * | * | trans | -96.4 | 133.8 | -176.6 | 34.6 | -28.1 | 0 | 0 | 0 | 110.7 | ||||
| 4 | H | 58.3 | Low | 47.9 | Very low | 196 Ų | 196 | 146.4 Ų | 146.4 | 91% | 0.907 | 84% | 0.839 | S | S | * | * | trans | -132.1 | 99.6 | 162 | -92.2 | -82.4 | 0 | 0 | 0 | 110.1 | ||||
| 5 | G | 52.5 | Low | 47.4 | Very low | 69 Ų | 69 | 148.3 Ų | 148.3 | 71% | 0.711 | 84% | 0.84 | S | S | * | * | trans | -88.6 | 151.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 6 | R | 55.7 | Low | 47.6 | Very low | 234 Ų | 234 | 149.5 Ų | 149.5 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | trans | 153.4 | 150.2 | 151 | -96 | 176.1 | 153.9 | -165.5 | -4.4 | 107.3 | ||||
| 7 | K | 46.7 | Very low | 47 | Very low | 179 Ų | 179 | 147.1 Ų | 147.1 | 78% | 0.778 | 83% | 0.827 | S | S | * | * | cis | -168.9 | 161.8 | -16.9 | -166.6 | 165.8 | 176.9 | -174.1 | 0 | 103.7 | ||||
| 8 | R | 48.8 | Very low | 47.4 | Very low | 226 Ų | 226 | 145.8 Ų | 145.8 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | trans | -61.6 | 168.5 | -163.9 | -51.3 | 175.5 | -166 | -110.7 | 3.8 | 117.1 | ||||
| 9 | K | 47.3 | Very low | 46.9 | Very low | 207 Ų | 207 | 145.5 Ų | 145.5 | 90% | 0.9 | 82% | 0.818 | S | S | * | * | trans | 83.7 | 108.6 | 136.6 | -99.2 | -172.6 | 173.2 | -164.4 | 0 | 119.3 | ||||
| 10 | A | 36.4 | Very low | 46.9 | Very low | 99 Ų | 99 | 147 Ų | 147 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -154.9 | 122.4 | 132.3 | 0 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 11 | G | 38.8 | Very low | 47 | Very low | 83 Ų | 83 | 151.4 Ų | 151.4 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | cis | 79.1 | 68.2 | 43.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 12 | A | 35.7 | Very low | 47.1 | Very low | 102 Ų | 102 | 147.3 Ų | 147.3 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -132 | 116.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 13 | A | 39.3 | Very low | 46.4 | Very low | 89 Ų | 89 | 151.2 Ų | 151.2 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | -60.9 | 155.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M15 | A13-M15 PolarHBondContact O-N 3.25Š| ||
| 14 | P | 39.3 | Very low | 45.5 | Very low | 108 Ų | 108 | 152.5 Ų | 152.5 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -68.3 | 127.2 | 168.7 | 30.2 | -31.4 | 0 | 0 | 0 | 108.9 | E16 | P14-E16 PolarHBondContact O-N 3.16Š| ||
| 15 | M | 39.7 | Very low | 45 | Very low | 175 Ų | 175 | 144.4 Ų | 144.4 | 86% | 0.862 | 76% | 0.764 | S | S | * | * | trans | -81.1 | 95 | 159.7 | -74.1 | 177.4 | 68.6 | 0 | 0 | 106.2 | A13 T17 | A13-M15 PolarHBondContact O-N 3.25Å; M15-T17 PolarHBondContact O-N 3.3Å | ||
| 16 | E | 51.8 | Low | 45.1 | Very low | 167 Ų | 167 | 149.6 Ų | 149.6 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | -74.7 | 103.6 | 159 | -74.1 | 175.4 | 81.8 | 0 | 0 | 107.1 | P14 | P14-E16 PolarHBondContact O-N 3.16Š| ||
| 17 | T | 37.1 | Very low | 45.6 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | trans | -95.5 | 96.6 | 158.1 | 51 | 0 | 0 | 0 | 0 | 107 | M15 D19 | M15-T17 PolarHBondContact O-N 3.3Å; T17-D19 PolarHBondContact O-N 3Å | ||
| 18 | V | 54.3 | Low | 47.3 | Very low | 124 Ų | 124 | 133 Ų | 133 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | trans | -64.1 | 108.4 | 155.2 | 165.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 19 | D | 38.5 | Very low | 49.2 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 74% | 0.743 | 69% | 0.688 | S | S | * | * | trans | -132.7 | 93.3 | 159.8 | -75.8 | -72.8 | 0 | 0 | 0 | 108.5 | T17 R21 | T17-D19 PolarHBondContact O-N 3Å; D19-R21 PolarHBondContact O-N 3.13Å | ||
| 20 | K | 46.4 | Very low | 51.3 | Low | 176 Ų | 176 | 113.8 Ų | 113.8 | 77% | 0.765 | 65% | 0.645 | S | S | * | * | trans | -54.5 | 97.9 | 160.1 | -180 | 173 | -179.8 | -179.1 | 0 | 108.4 | E22 | K20-E22 VanDerWaalsContact CE-OE2 3.31Å; K20-E22 WeakPolarHBondContact CE-OE2 3.31Å | ||
| 21 | R | 47.9 | Very low | 54 | Low | 239 Ų | 239 | 109.9 Ų | 109.9 | 90% | 0.902 | 61% | 0.611 | S | S | * | * | trans | -131.9 | 74.1 | 157.5 | -154.6 | 169.2 | -150.6 | -156.5 | 3.5 | 109.9 | D19 K23 | D19-R21 PolarHBondContact O-N 3.13Å; R21-K23 PolarHBondContact O-N 3.18Å; R21-K23 VanDerWaalsContact O-N 3.13Å | ||
| 22 | E | 54.1 | Low | 56.6 | Low | 160 Ų | 160 | 106 Ų | 106 | 75% | 0.748 | 57% | 0.571 | S | S | * | * | trans | -60.9 | 104.5 | 158.3 | -67.6 | 168.5 | 80.4 | 0 | 0 | 108.6 | K20 | K20-E22 VanDerWaalsContact CE-OE2 3.31Å; K20-E22 WeakPolarHBondContact CE-OE2 3.31Å | ||
| 23 | K | 38.3 | Very low | 59.5 | Low | 175 Ų | 175 | 103.3 Ų | 103.3 | 76% | 0.761 | 54% | 0.541 | S | S | * | . | trans | -164.6 | 89.8 | 148.1 | -156.7 | 87.6 | 170 | -70.5 | 0 | 109.9 | R21 | R21-K23 PolarHBondContact O-N 3.18Å; R21-K23 VanDerWaalsContact O-N 3.13Å | ||
| 24 | L | 48.6 | Very low | 62.1 | Low | 146 Ų | 146 | 100 Ų | 100 | 76% | 0.764 | 51% | 0.51 | S | S | * | . | trans | 36 | 100.9 | 153.9 | -73.1 | 86.1 | 0 | 0 | 0 | 119 | ||||
| 25 | A | 47.7 | Very low | 64.6 | Low | 26 Ų | 26 | 95.1 Ų | 95.1 | 22% | 0.215 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -122.7 | 85.9 | 131.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | G27 A28 E58 | A25-G27 PolarHBondContact O-N 3.47Å; A25-A28 PolarHBondContact O-N 2.88Å; A25-E58 HydrophobicContact CB-CB 4.04Å; A25-E58 HydrophobicContact CB-CG 3.84Å; A25-E58 WeakPolarHBondContact CB-O 3.42Å |
| 26 | E | 54.1 | Low | 67.1 | Low | 179 Ų | 179 | 91.7 Ų | 91.7 | 84% | 0.836 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 23.9 | 53.4 | -179.2 | -84.1 | 176.3 | 52.5 | 0 | 0 | 116.9 | A28 S80 | E26-A28 PolarHBondContact O-N 3.19Å; E26-S80 PolarHBondContact O-OG 2.89Å |
| 27 | G | 67 | Low | 69 | Low | 45 Ų | 45 | 88 Ų | 88 | 46% | 0.464 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 38.8 | 32.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | A25 R79 S80 | A25-G27 PolarHBondContact O-N 3.47Å; G27-R79 CarbonylContact O-C 3.4Å; G27-S80 VanDerWaalsContact C-OG 3.26Å; G27-S80 WeakPolarHBondContact CA-OG 3.14Å; G27-S80 PolarHBondContact N-OG 3.17Å; G27-S80 WeakPolarHBondContact O-CA 2.99Å; G27-S80 PolarHBondContact O-N 3.18Å; G27-S80 PolarHBondContact O-OG 3.07Å |
| 28 | A | 82.9 | Confident | 71.4 | Confident | 18 Ų | 18 | 84.2 Ų | 84.2 | 15% | 0.149 | 44% | 0.438 | C | S | . | . | trans | -93.4 | 144.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A25 E26 L59 P60 L77 L78 | A25-A28 PolarHBondContact O-N 2.88Å; E26-A28 PolarHBondContact O-N 3.19Å; A28-L59 HydrophobicContact CB-CD1 4.26Å; A28-P60 WeakPolarHBondContact O-CD 3.22Å; A28-P60 WeakPolarHBondContact O-CG 3.27Å; A28-L77 HydrophobicContact CB-CD1 3.98Å; A28-L77 HydrophobicContact CB-CG 4.3Å; A28-L78 CarbonylContact C-O 3.37Å; A28-L78 WeakPolarHBondContact CA-O 3.41Å | ||
| 29 | T | 89 | Confident | 73.1 | Confident | 30 Ų | 30 | 89.1 Ų | 89.1 | 18% | 0.184 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 129.7 | 179.3 | -60.9 | 0 | 0 | 0 | 0 | 109.3 | P60 Q62 L78 | T29-P60 HydrophobicContact CG2-CB 4.27Å; T29-P60 HydrophobicContact CG2-CG 4.15Å; T29-P60 WeakPolarHBondContact OG1-CG 3.4Å; T29-Q62 HydrophobicContact CG2-CG 3.93Å; T29-L78 PolarHBondContact N-O 3.13Å; T29-L78 PolarHBondContact O-N 2.92Å |
| 30 | V | 91 | Very high | 75.6 | Confident | 1 Ų | 1 | 85.3 Ų | 85.3 | 1% | 0.006 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 129.7 | 175.2 | 178.8 | 0 | 0 | 0 | 0 | 109.6 | I32 L52 L59 P60 V61 Q62 V75 T76 L77 | V30-I32 HydrophobicContact CG1-CG1 4.32Å; V30-L52 HydrophobicContact CG1-CD1 3.87Å; V30-L59 HydrophobicContact CG2-CD1 4.42Å; V30-L59 HydrophobicContact CG2-CD2 3.47Å; V30-L59 VanDerWaalsContact CG2-CD2 3.47Å; V30-L59 HydrophobicContact CG2-CG 3.96Å; V30-P60 PolarHBondContact N-O 3.12Å; V30-V61 HydrophobicContact CB-CG2 4.45Å; V30-V61 CarbonylContact O-C 3.41Å; V30-V61 WeakPolarHBondContact O-CA 3.31Å; V30-Q62 PolarHBondContact O-N 3.07Å; V30-V75 HydrophobicContact CG1-CG1 3.87Å; V30-T76 CarbonylContact C-O 3.54Å; V30-T76 WeakPolarHBondContact CA-O 3.44Å; V30-L77 HydrophobicContact CG2-CD1 3.67Å |
| 31 | V | 92.6 | Very high | 77.8 | Confident | 17 Ų | 17 | 77.3 Ų | 77.3 | 10% | 0.103 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 121.5 | 175.1 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | Q62 P65 V75 T76 L78 | V31-Q62 CarbonylContact C-O 3.59Å; V31-Q62 WeakPolarHBondContact CA-O 3.49Å; V31-Q62 HydrophobicContact CG2-CB 4.36Å; V31-P65 HydrophobicContact CG1-CG 3.58Å; V31-V75 WeakPolarHBondContact O-CA 3.49Å; V31-T76 PolarHBondContact N-O 3.04Å; V31-T76 PolarHBondContact O-N 2.78Å; V31-L78 HydrophobicContact CG2-CD1 3.53Å; V31-L78 HydrophobicContact CG2-CG 3.89Å |
| 32 | I | 94.3 | Very high | 79.9 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 112.5 | 173.4 | -55.8 | 170.9 | 0 | 0 | 0 | 108.1 | V30 A45 L48 L52 V61 Q62 V63 N64 F73 V75 | V30-I32 HydrophobicContact CG1-CG1 4.32Å; I32-A45 HydrophobicContact CG2-CB 3.89Å; I32-L48 HydrophobicContact CD1-CB 4.36Å; I32-L48 HydrophobicContact CD1-CD2 4.01Å; I32-L48 HydrophobicContact CD1-CG 4.1Å; I32-L48 HydrophobicContact CG1-CD2 4.35Å; I32-L52 HydrophobicContact CD1-CD1 4.19Å; I32-V61 HydrophobicContact CD1-CG1 3.74Å; I32-V61 HydrophobicContact CG1-CG1 4.24Å; I32-Q62 PolarHBondContact N-O 3.24Å; I32-V63 HydrophobicContact CB-CG2 4.45Å; I32-V63 WeakPolarHBondContact O-CA 3.46Å; I32-N64 PolarHBondContact O-N 3.48Å; I32-F73 HydrophobicContact CG2-CZ 4.45Å; I32-V75 HydrophobicContact CG1-CG1 4.36Å |
| 33 | E | 95 | Very high | 81.8 | Confident | 46 Ų | 46 | 69.2 Ų | 69.2 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 129.1 | 171.8 | -167.8 | -168.6 | 109.9 | 0 | 0 | 109.8 | N64 P68 R69 S72 F73 E74 | E33-N64 WeakPolarHBondContact CA-OD1 3.21Å; E33-P68 HydrophobicContact CG-CB 3.41Å; E33-P68 VanDerWaalsContact CG-CB 3.41Å; E33-R69 PolarHBondContact OE1-N 2.92Å; E33-S72 WeakPolarHBondContact OE1-CB 3.14Å; E33-S72 PolarHBondContact OE1-OG 3.31Å; E33-F73 CarbonylContact O-C 3.48Å; E33-F73 VanDerWaalsContact O-CA 3.26Å; E33-F73 WeakPolarHBondContact O-CA 3.15Å; E33-E74 HydrophobicContact CB-CB 4.28Å; E33-E74 PolarHBondContact N-O 2.96Å; E33-E74 PolarHBondContact O-N 3.41Å |
| 34 | H | 94.6 | Very high | 84.3 | Confident | 21 Ų | 21 | 64.6 Ų | 64.6 | 10% | 0.097 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 149.9 | 175.5 | 80.4 | 80.5 | 0 | 0 | 0 | 113.1 | T36 A45 N64 P68 S72 F73 | H34-T36 PolarHBondContact O-N 2.63Å; H34-T36 VanDerWaalsContact O-N 3.09Å; H34-A45 HydrophobicContact CB-CB 4.2Å; H34-A45 WeakPolarHBondContact CD2-CB 3.42Å; H34-N64 PolarHBondContact CD2-ND2 3.44Å; H34-N64 PolarHBondContact N-OD1 3.23Å; H34-N64 PolarHBondContact NE2-ND2 3.09Å; H34-N64 PolarHBondContact O-OD1 3.48Å; H34-P68 WeakPolarHBondContact O-CB 3.34Å; H34-P68 WeakPolarHBondContact O-CG 3.38Å; H34-S72 CarbonylContact C-O 3.52Å; H34-S72 WeakPolarHBondContact CA-O 3.35Å; H34-F73 HydrophobicContact CB-CD2 3.89Å; H34-F73 HydrophobicContact CB-CE2 4.21Å |
| 35 | C | 92.4 | Very high | 86.4 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 3% | 0.027 | 31% | 0.305 | C | S | . | . | trans | -61.1 | 115.9 | 173.5 | -171.9 | 0 | 0 | 0 | 0 | 111.9 | S37 C38 Y41 G71 S72 | C35-S37 PolarHBondContact O-N 3.03Å; C35-S37 PolarHBondContact SG-OG 3.29Å; C35-C38 HydrophobicContact CB-CB 4.15Å; C35-C38 PolarHBondContact O-N 2.92Å; C35-Y41 HydrophobicContact CB-CD1 3.84Å; C35-Y41 HydrophobicContact CB-CE1 4.26Å; C35-Y41 HydrophobicContact CB-CG 4.47Å; C35-G71 PolarHBondContact SG-N 2.8Å; C35-S72 PolarHBondContact N-O 2.85Å | ||
| 36 | T | 92.6 | Very high | 88.6 | Confident | 103 Ų | 103 | 58.8 Ų | 58.8 | 63% | 0.632 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -27.6 | -177.7 | 49.9 | 0 | 0 | 0 | 0 | 114 | H34 C38 P68 | H34-T36 PolarHBondContact O-N 2.63Å; H34-T36 VanDerWaalsContact O-N 3.09Å; T36-C38 PolarHBondContact O-N 3.11Å; T36-P68 HydrophobicContact CG2-CG 3.75Å |
| 37 | S | 89.9 | Confident | 90.3 | Very high | 91 Ų | 91 | 52.9 Ų | 52.9 | 64% | 0.636 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -10.6 | 175.5 | 63.8 | 0 | 0 | 0 | 0 | 113.9 | C35 | C35-S37 PolarHBondContact O-N 3.03Å; C35-S37 PolarHBondContact SG-OG 3.29Å |
| 38 | C | 87.9 | Confident | 91.4 | Very high | 29 Ų | 29 | 51 Ų | 51 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | trans | -102.8 | 100.5 | -177.6 | -72 | 0 | 0 | 0 | 0 | 111 | C35 T36 V40 Y41 G42 | C35-C38 HydrophobicContact CB-CB 4.15Å; C35-C38 PolarHBondContact O-N 2.92Å; T36-C38 PolarHBondContact O-N 3.11Å; C38-V40 PolarHBondContact O-N 3.39Å; C38-V40 VanDerWaalsContact O-N 3.16Å; C38-Y41 HydrophobicContact CB-CD1 4.38Å; C38-Y41 HydrophobicContact CB-CD2 3.66Å; C38-Y41 HydrophobicContact CB-CE2 4.4Å; C38-Y41 HydrophobicContact CB-CG 3.66Å; C38-Y41 WeakPolarHBondContact O-CB 3.1Å; C38-Y41 PolarHBondContact O-N 3.05Å; C38-G42 PolarHBondContact O-N 2.9Å | ||
| 39 | R | 90.3 | Very high | 91.8 | Very high | 226 Ų | 226 | 50.9 Ų | 50.9 | 85% | 0.853 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -52.7 | -40.3 | 178.7 | -70.8 | -172.3 | -179.1 | 175.1 | 0.2 | 113.8 | Y41 G42 R43 | R39-Y41 VanDerWaalsContact C-N 3.27Å; R39-Y41 PolarHBondContact O-N 2.99Å; R39-G42 PolarHBondContact O-N 2.74Å; R39-R43 PolarHBondContact O-N 3.12Å; R39-R43 VanDerWaalsContact O-N 3.13Å |
| 40 | V | 91.1 | Very high | 91.9 | Very high | 60 Ų | 60 | 55 Ų | 55 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.4 | -40.1 | 177 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | C38 R43 H44 F101 | C38-V40 PolarHBondContact O-N 3.39Å; C38-V40 VanDerWaalsContact O-N 3.16Å; V40-R43 PolarHBondContact O-N 2.79Å; V40-H44 PolarHBondContact O-CD2 2.9Å; V40-H44 VanDerWaalsContact O-CD2 3.23Å; V40-H44 PolarHBondContact O-N 2.93Å; V40-H44 VanDerWaalsContact O-N 3.13Å; V40-F101 HydrophobicContact CG1-CE2 3.93Å; V40-F101 HydrophobicContact CG1-CZ 3.71Å |
| 41 | Y | 91.8 | Very high | 91.7 | Very high | 8 Ų | 8 | 56 Ų | 56 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.7 | -41.7 | -178.2 | -77.5 | -137.6 | 0 | 0 | 0 | 110.8 | C35 C38 R39 R43 H44 A45 S72 F73 R97 K100 F101 | C35-Y41 HydrophobicContact CB-CD1 3.84Å; C35-Y41 HydrophobicContact CB-CE1 4.26Å; C35-Y41 HydrophobicContact CB-CG 4.47Å; C38-Y41 HydrophobicContact CB-CD1 4.38Å; C38-Y41 HydrophobicContact CB-CD2 3.66Å; C38-Y41 HydrophobicContact CB-CE2 4.4Å; C38-Y41 HydrophobicContact CB-CG 3.66Å; C38-Y41 WeakPolarHBondContact O-CB 3.1Å; C38-Y41 PolarHBondContact O-N 3.05Å; R39-Y41 VanDerWaalsContact C-N 3.27Å; R39-Y41 PolarHBondContact O-N 2.99Å; Y41-R43 VanDerWaalsContact C-N 3.32Å; Y41-R43 PolarHBondContact O-N 3.24Å; Y41-H44 PolarHBondContact O-N 2.79Å; Y41-A45 WeakPolarHBondContact O-CB 3.47Å; Y41-A45 PolarHBondContact O-N 3.24Å; Y41-S72 WeakPolarHBondContact CD1-O 3.5Å; Y41-S72 WeakPolarHBondContact CE1-O 3.43Å; Y41-F73 HydrophobicContact CD1-CB 3.95Å; Y41-F73 AromaticContact CD1-CD2 3.99Å; Y41-F73 HydrophobicContact CD1-CD2 3.99Å; Y41-F73 HydrophobicContact CD1-CG 4.49Å; Y41-F73 HydrophobicContact CE1-CB 3.85Å; Y41-F73 HydrophobicContact CG-CD2 4.28Å; Y41-F73 WeakPolarHBondContact O-CE2 3.12Å; Y41-R97 VanDerWaalsContact CD2-NH2 3.29Å; Y41-R97 HydrophobicContact CE2-CG 4.25Å; Y41-R97 VanDerWaalsContact CE2-NH2 3.32Å; Y41-K100 VanDerWaalsContact OH-CD 3.29Å; Y41-K100 WeakPolarHBondContact OH-CD 3.17Å; Y41-K100 VanDerWaalsContact OH-CE 3.25Å; Y41-K100 WeakPolarHBondContact OH-CE 3.43Å; Y41-K100 PolarHBondContact OH-NZ 2.84Å; Y41-F101 HydrophobicContact CD1-CE1 4.31Å; Y41-F101 AromaticContact CD2-CE1 3.5Å; Y41-F101 HydrophobicContact CD2-CE1 3.5Å; Y41-F101 AromaticContact CD2-CZ 3.38Å; Y41-F101 HydrophobicContact CD2-CZ 3.38Å; Y41-F101 AromaticContact CE2-CE1 3.72Å; Y41-F101 HydrophobicContact CE2-CE1 3.72Å; Y41-F101 AromaticContact CE2-CZ 3.39Å; Y41-F101 HydrophobicContact CE2-CZ 3.39Å; Y41-F101 AromaticContact CG-CE1 3.81Å; Y41-F101 HydrophobicContact CG-CE1 3.81Å; Y41-F101 HydrophobicContact CG-CZ 4.18Å |
| 42 | G | 92.5 | Very high | 91.3 | Very high | 25 Ų | 25 | 56 Ų | 56 | 26% | 0.258 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.3 | -40 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C38 R39 A45 A46 | C38-G42 PolarHBondContact O-N 2.9Å; R39-G42 PolarHBondContact O-N 2.74Å; G42-A45 PolarHBondContact O-N 3.23Å; G42-A46 WeakPolarHBondContact O-CB 3.44Å; G42-A46 PolarHBondContact O-N 3.47Å |
| 43 | R | 93.4 | Very high | 90.9 | Very high | 203 Ų | 203 | 60.8 Ų | 60.8 | 77% | 0.766 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -62.5 | -45.6 | 175.7 | -71.9 | -173.3 | 177.8 | -173.8 | -2.1 | 112.4 | R39 V40 Y41 A46 A47 | R39-R43 PolarHBondContact O-N 3.12Å; R39-R43 VanDerWaalsContact O-N 3.13Å; V40-R43 PolarHBondContact O-N 2.79Å; Y41-R43 VanDerWaalsContact C-N 3.32Å; Y41-R43 PolarHBondContact O-N 3.24Å; R43-A46 PolarHBondContact O-N 3.4Å; R43-A47 WeakPolarHBondContact O-CB 3.48Å; R43-A47 PolarHBondContact O-N 3.41Å |
| 44 | H | 92.1 | Very high | 90.4 | Very high | 78 Ų | 78 | 65.6 Ų | 65.6 | 36% | 0.361 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 177.1 | -79.3 | -78.4 | 0 | 0 | 0 | 112.2 | V40 Y41 A47 L48 F73 F101 | V40-H44 PolarHBondContact O-CD2 2.9Å; V40-H44 VanDerWaalsContact O-CD2 3.23Å; V40-H44 PolarHBondContact O-N 2.93Å; V40-H44 VanDerWaalsContact O-N 3.13Å; Y41-H44 PolarHBondContact O-N 2.79Å; H44-A47 PolarHBondContact O-N 2.72Å; H44-L48 VanDerWaalsContact O-CB 3.28Å; H44-L48 WeakPolarHBondContact O-CB 3.31Å; H44-L48 PolarHBondContact O-N 3.17Å; H44-F73 HydrophobicContact CB-CE2 3.79Å; H44-F73 HydrophobicContact CB-CZ 4.03Å; H44-F101 HydrophobicContact CB-CB 4.41Å; H44-F101 HydrophobicContact CB-CD1 3.58Å; H44-F101 HydrophobicContact CB-CE1 4.04Å; H44-F101 HydrophobicContact CB-CG 4.05Å; H44-F101 AromaticContact CD2-CD1 3.72Å; H44-F101 AromaticContact CD2-CD2 3.64Å; H44-F101 AromaticContact CD2-CE1 3.78Å; H44-F101 AromaticContact CD2-CE2 3.67Å; H44-F101 AromaticContact CD2-CG 3.64Å; H44-F101 AromaticContact CD2-CZ 3.74Å; H44-F101 AromaticContact CE1-CD2 3.95Å; H44-F101 AromaticContact CG-CD1 3.6Å; H44-F101 AromaticContact CG-CG 3.59Å; H44-F101 AromaticContact ND1-CG 3.83Å; H44-F101 AromaticContact NE2-CD2 3.6Å; H44-F101 AromaticContact NE2-CE2 3.79Å; H44-F101 AromaticContact NE2-CG 3.95Å |
| 45 | A | 92.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.008 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I32 H34 Y41 G42 L48 S49 F73 | I32-A45 HydrophobicContact CG2-CB 3.89Å; H34-A45 HydrophobicContact CB-CB 4.2Å; H34-A45 WeakPolarHBondContact CD2-CB 3.42Å; Y41-A45 WeakPolarHBondContact O-CB 3.47Å; Y41-A45 PolarHBondContact O-N 3.24Å; G42-A45 PolarHBondContact O-N 3.23Å; A45-L48 PolarHBondContact O-N 2.82Å; A45-S49 VanDerWaalsContact O-CB 3.22Å; A45-S49 WeakPolarHBondContact O-CB 3.37Å; A45-S49 PolarHBondContact O-N 2.79Å; A45-F73 HydrophobicContact CB-CE2 4.02Å; A45-F73 HydrophobicContact CB-CZ 4.38Å |
| 46 | A | 92.4 | Very high | 89.1 | Confident | 50 Ų | 50 | 69.9 Ų | 69.9 | 41% | 0.413 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G42 R43 Q50 | G42-A46 WeakPolarHBondContact O-CB 3.44Å; G42-A46 PolarHBondContact O-N 3.47Å; R43-A46 PolarHBondContact O-N 3.4Å; A46-Q50 WeakPolarHBondContact O-CB 3.13Å; A46-Q50 WeakPolarHBondContact O-CG 3.17Å; A46-Q50 PolarHBondContact O-N 2.92Å; A46-Q50 PolarHBondContact O-NE2 2.98Å |
| 47 | A | 91.3 | Very high | 88.6 | Confident | 54 Ų | 54 | 70 Ų | 70 | 45% | 0.446 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R43 H44 Q50 A51 | R43-A47 WeakPolarHBondContact O-CB 3.48Å; R43-A47 PolarHBondContact O-N 3.41Å; H44-A47 PolarHBondContact O-N 2.72Å; A47-Q50 PolarHBondContact O-N 2.83Å; A47-A51 WeakPolarHBondContact O-CB 3.31Å; A47-A51 PolarHBondContact O-N 2.87Å |
| 48 | L | 90.4 | Very high | 88.1 | Confident | 7 Ų | 7 | 71.8 Ų | 71.8 | 4% | 0.037 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 178.1 | -177 | 64 | 0 | 0 | 0 | 112 | I32 H44 A45 Q50 A51 L52 F73 V75 P102 P104 L107 | I32-L48 HydrophobicContact CD1-CB 4.36Å; I32-L48 HydrophobicContact CD1-CD2 4.01Å; I32-L48 HydrophobicContact CD1-CG 4.1Å; I32-L48 HydrophobicContact CG1-CD2 4.35Å; H44-L48 VanDerWaalsContact O-CB 3.28Å; H44-L48 WeakPolarHBondContact O-CB 3.31Å; H44-L48 PolarHBondContact O-N 3.17Å; A45-L48 PolarHBondContact O-N 2.82Å; L48-Q50 VanDerWaalsContact C-N 3.29Å; L48-Q50 PolarHBondContact O-N 3.06Å; L48-A51 PolarHBondContact O-N 2.96Å; L48-L52 HydrophobicContact CD1-CD1 4.5Å; L48-L52 HydrophobicContact CD1-CG 4.44Å; L48-L52 HydrophobicContact CG-CD1 4.13Å; L48-L52 HydrophobicContact CG-CG 4.5Å; L48-L52 WeakPolarHBondContact O-CB 3.09Å; L48-L52 WeakPolarHBondContact O-CG 3.45Å; L48-L52 PolarHBondContact O-N 2.83Å; L48-F73 HydrophobicContact CD2-CE1 4.27Å; L48-F73 HydrophobicContact CD2-CZ 4.39Å; L48-V75 HydrophobicContact CD2-CG2 3.74Å; L48-P102 HydrophobicContact CD2-CG 4.08Å; L48-P104 HydrophobicContact CD1-CB 4.19Å; L48-P104 HydrophobicContact CD1-CG 4.21Å; L48-L107 HydrophobicContact CD1-CD1 3.71Å; L48-L107 HydrophobicContact CD2-CD1 3.93Å; L48-L107 HydrophobicContact CG-CD1 4.26Å |
| 49 | S | 90.3 | Very high | 87.8 | Confident | 14 Ų | 14 | 71.7 Ų | 71.7 | 10% | 0.098 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.5 | -40.9 | 176.8 | 176 | 0 | 0 | 0 | 0 | 111.9 | A45 Q53 | A45-S49 VanDerWaalsContact O-CB 3.22Å; A45-S49 WeakPolarHBondContact O-CB 3.37Å; A45-S49 PolarHBondContact O-N 2.79Å; S49-Q53 VanDerWaalsContact O-CG 3.31Å; S49-Q53 WeakPolarHBondContact O-CG 3.39Å; S49-Q53 PolarHBondContact O-N 2.76Å; S49-Q53 VanDerWaalsContact O-N 3.12Å; S49-Q53 PolarHBondContact O-NE2 3.35Å; S49-Q53 PolarHBondContact OG-NE2 3.03Å |
| 50 | Q | 90.3 | Very high | 87.7 | Confident | 117 Ų | 117 | 64 Ų | 64 | 55% | 0.547 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.8 | -43.7 | 175.3 | -74.9 | 169.2 | 100.4 | 0 | 0 | 111.9 | A46 A47 L48 L52 Q53 L54 | A46-Q50 WeakPolarHBondContact O-CB 3.13Å; A46-Q50 WeakPolarHBondContact O-CG 3.17Å; A46-Q50 PolarHBondContact O-N 2.92Å; A46-Q50 PolarHBondContact O-NE2 2.98Å; A47-Q50 PolarHBondContact O-N 2.83Å; L48-Q50 VanDerWaalsContact C-N 3.29Å; L48-Q50 PolarHBondContact O-N 3.06Å; Q50-L52 PolarHBondContact O-N 2.95Å; Q50-Q53 PolarHBondContact O-N 3.26Å; Q50-L54 VanDerWaalsContact O-CG 3.31Å; Q50-L54 WeakPolarHBondContact O-CG 3.36Å; Q50-L54 PolarHBondContact O-N 2.87Å |
| 51 | A | 87.8 | Confident | 87.6 | Confident | 21 Ų | 21 | 62.6 Ų | 62.6 | 17% | 0.174 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.4 | -48.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | A47 L48 Q53 L54 E55 P104 | A47-A51 WeakPolarHBondContact O-CB 3.31Å; A47-A51 PolarHBondContact O-N 2.87Å; L48-A51 PolarHBondContact O-N 2.96Å; A51-Q53 VanDerWaalsContact C-N 3.31Å; A51-Q53 PolarHBondContact O-N 3.47Å; A51-L54 WeakPolarHBondContact O-CB 3.4Å; A51-L54 PolarHBondContact O-N 3.38Å; A51-E55 WeakPolarHBondContact O-CG 3.26Å; A51-E55 PolarHBondContact O-N 3.25Å; A51-P104 HydrophobicContact CB-CB 3.81Å; A51-P104 HydrophobicContact CB-CG 3.76Å |
| 52 | L | 84.8 | Confident | 87.6 | Confident | 18 Ų | 18 | 66.4 Ų | 66.4 | 9% | 0.094 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.1 | -38.9 | 176.9 | -71.1 | 170.9 | 0 | 0 | 0 | 112.7 | V30 I32 L48 Q50 L54 A56 V61 | V30-L52 HydrophobicContact CG1-CD1 3.87Å; I32-L52 HydrophobicContact CD1-CD1 4.19Å; L48-L52 HydrophobicContact CD1-CD1 4.5Å; L48-L52 HydrophobicContact CD1-CG 4.44Å; L48-L52 HydrophobicContact CG-CD1 4.13Å; L48-L52 HydrophobicContact CG-CG 4.5Å; L48-L52 WeakPolarHBondContact O-CB 3.09Å; L48-L52 WeakPolarHBondContact O-CG 3.45Å; L48-L52 PolarHBondContact O-N 2.83Å; Q50-L52 PolarHBondContact O-N 2.95Å; L52-L54 VanDerWaalsContact C-N 3.34Å; L52-A56 CarbonylContact O-C 3.56Å; L52-A56 WeakPolarHBondContact O-CA 3.44Å; L52-A56 PolarHBondContact O-N 3.07Å; L52-V61 HydrophobicContact CB-CG2 4Å; L52-V61 HydrophobicContact CD1-CG2 4.35Å |
| 53 | Q | 85.3 | Confident | 87.7 | Confident | 100 Ų | 100 | 68.3 Ų | 68.3 | 47% | 0.467 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71.4 | -27.7 | 176.3 | -76.3 | 168.9 | 81.8 | 0 | 0 | 113.2 | S49 Q50 A51 P57 V61 | S49-Q53 VanDerWaalsContact O-CG 3.31Å; S49-Q53 WeakPolarHBondContact O-CG 3.39Å; S49-Q53 PolarHBondContact O-N 2.76Å; S49-Q53 VanDerWaalsContact O-N 3.12Å; S49-Q53 PolarHBondContact O-NE2 3.35Å; S49-Q53 PolarHBondContact OG-NE2 3.03Å; Q50-Q53 PolarHBondContact O-N 3.26Å; A51-Q53 VanDerWaalsContact C-N 3.31Å; A51-Q53 PolarHBondContact O-N 3.47Å; Q53-P57 WeakPolarHBondContact O-CA 3.4Å; Q53-P57 WeakPolarHBondContact O-CB 3.41Å; Q53-V61 HydrophobicContact CG-CG2 4.31Å |
| 54 | L | 84.4 | Confident | 87.7 | Confident | 147 Ų | 147 | 60.3 Ų | 60.3 | 77% | 0.77 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -76.4 | -40.6 | 175 | -72.1 | 170.2 | 0 | 0 | 0 | 111.4 | Q50 A51 L52 | Q50-L54 VanDerWaalsContact O-CG 3.31Å; Q50-L54 WeakPolarHBondContact O-CG 3.36Å; Q50-L54 PolarHBondContact O-N 2.87Å; A51-L54 WeakPolarHBondContact O-CB 3.4Å; A51-L54 PolarHBondContact O-N 3.38Å; L52-L54 VanDerWaalsContact C-N 3.34Å |
| 55 | E | 80.3 | Confident | 87.6 | Confident | 87 Ų | 87 | 60.2 Ų | 60.2 | 41% | 0.407 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -76.1 | -40 | 179.3 | -68.2 | 180 | 123.3 | 0 | 0 | 112 | A51 | A51-E55 WeakPolarHBondContact O-CG 3.26Å; A51-E55 PolarHBondContact O-N 3.25Å |
| 56 | A | 79.8 | Confident | 87.5 | Confident | 29 Ų | 29 | 64.3 Ų | 64.3 | 24% | 0.24 | 37% | 0.372 | C | S | . | . | trans | -136.9 | 76.1 | -178 | 0 | 0 | 0 | 0 | 0 | 110.6 | L52 E58 L59 | L52-A56 CarbonylContact O-C 3.56Å; L52-A56 WeakPolarHBondContact O-CA 3.44Å; L52-A56 PolarHBondContact O-N 3.07Å; A56-E58 PolarHBondContact O-N 3.39Å; A56-E58 VanDerWaalsContact O-N 3.12Å; A56-L59 HydrophobicContact CB-CB 3.8Å; A56-L59 HydrophobicContact CB-CD2 4.33Å; A56-L59 WeakPolarHBondContact O-CB 3.45Å; A56-L59 PolarHBondContact O-N 3.04Å | ||
| 57 | P | 81.3 | Confident | 87.3 | Confident | 105 Ų | 105 | 71.5 Ų | 71.5 | 68% | 0.682 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -19.1 | -178.5 | 24.6 | -34.3 | 0 | 0 | 0 | 113.8 | Q53 | Q53-P57 WeakPolarHBondContact O-CA 3.4Å; Q53-P57 WeakPolarHBondContact O-CB 3.41Å |
| 58 | E | 79.1 | Confident | 87.3 | Confident | 128 Ų | 128 | 70 Ų | 70 | 60% | 0.598 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -16.5 | 175.4 | 59.2 | -171.2 | 88.7 | 0 | 0 | 113.8 | A25 A56 P60 | A25-E58 HydrophobicContact CB-CB 4.04Å; A25-E58 HydrophobicContact CB-CG 3.84Å; A25-E58 WeakPolarHBondContact CB-O 3.42Å; A56-E58 PolarHBondContact O-N 3.39Å; A56-E58 VanDerWaalsContact O-N 3.12Å; E58-P60 VanDerWaalsContact O-CD 3.31Å; E58-P60 WeakPolarHBondContact O-CD 3.34Å |
| 59 | L | 81.9 | Confident | 87.3 | Confident | 28 Ų | 28 | 77.5 Ų | 77.5 | 15% | 0.147 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -87.5 | 113.8 | -178.5 | -173.4 | 65.1 | 0 | 0 | 0 | 110.3 | A28 V30 A56 V61 | A28-L59 HydrophobicContact CB-CD1 4.26Å; V30-L59 HydrophobicContact CG2-CD1 4.42Å; V30-L59 HydrophobicContact CG2-CD2 3.47Å; V30-L59 VanDerWaalsContact CG2-CD2 3.47Å; V30-L59 HydrophobicContact CG2-CG 3.96Å; A56-L59 HydrophobicContact CB-CB 3.8Å; A56-L59 HydrophobicContact CB-CD2 4.33Å; A56-L59 WeakPolarHBondContact O-CB 3.45Å; A56-L59 PolarHBondContact O-N 3.04Å; L59-V61 PolarHBondContact O-N 2.95Å |
| 60 | P | 87.9 | Confident | 87.1 | Confident | 63 Ų | 63 | 87.2 Ų | 87.2 | 41% | 0.409 | 44% | 0.442 | S | S | . | . | trans | -66.2 | 132.6 | 178.2 | 24.6 | -32.2 | 0 | 0 | 0 | 111 | A28 T29 V30 E58 | A28-P60 WeakPolarHBondContact O-CD 3.22Å; A28-P60 WeakPolarHBondContact O-CG 3.27Å; T29-P60 HydrophobicContact CG2-CB 4.27Å; T29-P60 HydrophobicContact CG2-CG 4.15Å; T29-P60 WeakPolarHBondContact OG1-CG 3.4Å; V30-P60 PolarHBondContact N-O 3.12Å; E58-P60 VanDerWaalsContact O-CD 3.31Å; E58-P60 WeakPolarHBondContact O-CD 3.34Å | ||
| 61 | V | 89.7 | Confident | 86.9 | Confident | 31 Ų | 31 | 82.6 Ų | 82.6 | 19% | 0.188 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 122.8 | 177 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | V30 I32 L52 Q53 L59 | V30-V61 HydrophobicContact CB-CG2 4.45Å; V30-V61 CarbonylContact O-C 3.41Å; V30-V61 WeakPolarHBondContact O-CA 3.31Å; I32-V61 HydrophobicContact CD1-CG1 3.74Å; I32-V61 HydrophobicContact CG1-CG1 4.24Å; L52-V61 HydrophobicContact CB-CG2 4Å; L52-V61 HydrophobicContact CD1-CG2 4.35Å; Q53-V61 HydrophobicContact CG-CG2 4.31Å; L59-V61 PolarHBondContact O-N 2.95Å |
| 62 | Q | 92.9 | Very high | 86.9 | Confident | 89 Ų | 89 | 81.6 Ų | 81.6 | 42% | 0.416 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 135.1 | 174.6 | -64.4 | -176.8 | -5.4 | 0 | 0 | 110.5 | T29 V30 V31 I32 | T29-Q62 HydrophobicContact CG2-CG 3.93Å; V30-Q62 PolarHBondContact O-N 3.07Å; V31-Q62 CarbonylContact C-O 3.59Å; V31-Q62 WeakPolarHBondContact CA-O 3.49Å; V31-Q62 HydrophobicContact CG2-CB 4.36Å; I32-Q62 PolarHBondContact N-O 3.24Å |
| 63 | V | 93.1 | Very high | 87.3 | Confident | 65 Ų | 65 | 80.8 Ų | 80.8 | 39% | 0.394 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 120.1 | 177.9 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | I32 | I32-V63 HydrophobicContact CB-CG2 4.45Å; I32-V63 WeakPolarHBondContact O-CA 3.46Å |
| 64 | N | 93.6 | Very high | 87.7 | Confident | 34 Ų | 34 | 77 Ų | 77 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | trans | 47.3 | 58.6 | -177.5 | -57.9 | -40.6 | 0 | 0 | 0 | 114.6 | I32 E33 H34 S66 | I32-N64 PolarHBondContact O-N 3.48Å; E33-N64 WeakPolarHBondContact CA-OD1 3.21Å; H34-N64 PolarHBondContact CD2-ND2 3.44Å; H34-N64 PolarHBondContact N-OD1 3.23Å; H34-N64 PolarHBondContact NE2-ND2 3.09Å; H34-N64 PolarHBondContact O-OD1 3.48Å; N64-S66 PolarHBondContact O-N 2.86Å | ||
| 65 | P | 91 | Very high | 88 | Confident | 76 Ų | 76 | 70 Ų | 70 | 49% | 0.494 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -62.5 | -15.4 | 175.6 | 28.2 | -36.2 | 0 | 0 | 0 | 112.9 | V31 | V31-P65 HydrophobicContact CG1-CG 3.58Š|
| 66 | S | 89.7 | Confident | 88.5 | Confident | 87 Ų | 87 | 65.9 Ų | 65.9 | 61% | 0.608 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -137.6 | 165.9 | 174.4 | -74.9 | 0 | 0 | 0 | 0 | 110.3 | N64 P68 | N64-S66 PolarHBondContact O-N 2.86Å; S66-P68 VanDerWaalsContact O-CD 3.26Å; S66-P68 WeakPolarHBondContact O-CD 3.41Å; S66-P68 VanDerWaalsContact O-N 3.11Å |
| 67 | K | 89.6 | Confident | 89 | Confident | 202 Ų | 202 | 65 Ų | 65 | 88% | 0.878 | 33% | 0.331 | S | S | * | . | trans | -60.7 | 115.4 | -179.1 | -174.4 | 173.6 | -177.1 | 174.5 | 0 | 110.4 | ||||
| 68 | P | 91.2 | Very high | 89.3 | Confident | 23 Ų | 23 | 63 Ų | 63 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 156.2 | -170.2 | 29.6 | -34.5 | 0 | 0 | 0 | 112.3 | E33 H34 T36 S66 | E33-P68 HydrophobicContact CG-CB 3.41Å; E33-P68 VanDerWaalsContact CG-CB 3.41Å; H34-P68 WeakPolarHBondContact O-CB 3.34Å; H34-P68 WeakPolarHBondContact O-CG 3.38Å; T36-P68 HydrophobicContact CG2-CG 3.75Å; S66-P68 VanDerWaalsContact O-CD 3.26Å; S66-P68 WeakPolarHBondContact O-CD 3.41Å; S66-P68 VanDerWaalsContact O-N 3.11Å |
| 69 | R | 88.8 | Confident | 89.6 | Confident | 164 Ų | 164 | 62.2 Ų | 62.2 | 62% | 0.619 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 150.2 | 175.8 | -170.2 | -179.3 | -159.1 | -83.1 | 2.5 | 111.3 | E33 G71 S72 | E33-R69 PolarHBondContact OE1-N 2.92Å; R69-G71 PolarHBondContact O-N 2.91Å; R69-S72 PolarHBondContact N-OG 3.34Å; R69-S72 PolarHBondContact O-N 3.33Å; R69-S72 PolarHBondContact O-OG 2.89Å |
| 70 | R | 86.6 | Confident | 89.5 | Confident | 218 Ų | 218 | 65.1 Ų | 65.1 | 82% | 0.823 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 126.9 | 174.7 | -171.5 | 173.9 | 178.2 | -118.2 | 1.4 | 110.2 | S72 | R70-S72 VanDerWaalsContact C-N 3.26Å; R70-S72 PolarHBondContact O-N 3.26Å |
| 71 | G | 86.1 | Confident | 89.1 | Confident | 19 Ų | 19 | 66.8 Ų | 66.8 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 13.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | C35 R69 K100 | C35-G71 PolarHBondContact SG-N 2.8Å; R69-G71 PolarHBondContact O-N 2.91Å; G71-K100 PolarHBondContact O-NZ 3.24Å |
| 72 | S | 89.1 | Confident | 88.6 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | trans | -79.8 | 144.5 | 173.7 | 60.5 | 0 | 0 | 0 | 0 | 111.8 | E33 H34 C35 Y41 R69 R70 | E33-S72 WeakPolarHBondContact OE1-CB 3.14Å; E33-S72 PolarHBondContact OE1-OG 3.31Å; H34-S72 CarbonylContact C-O 3.52Å; H34-S72 WeakPolarHBondContact CA-O 3.35Å; C35-S72 PolarHBondContact N-O 2.85Å; Y41-S72 WeakPolarHBondContact CD1-O 3.5Å; Y41-S72 WeakPolarHBondContact CE1-O 3.43Å; R69-S72 PolarHBondContact N-OG 3.34Å; R69-S72 PolarHBondContact O-N 3.33Å; R69-S72 PolarHBondContact O-OG 2.89Å; R70-S72 VanDerWaalsContact C-N 3.26Å; R70-S72 PolarHBondContact O-N 3.26Å | ||
| 73 | F | 92.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 0% | 0.004 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 90.7 | 163.3 | -167.3 | -77.6 | 0 | 0 | 0 | 105.5 | I32 E33 H34 Y41 H44 A45 L48 V75 G90 F101 P102 | I32-F73 HydrophobicContact CG2-CZ 4.45Å; E33-F73 CarbonylContact O-C 3.48Å; E33-F73 VanDerWaalsContact O-CA 3.26Å; E33-F73 WeakPolarHBondContact O-CA 3.15Å; H34-F73 HydrophobicContact CB-CD2 3.89Å; H34-F73 HydrophobicContact CB-CE2 4.21Å; Y41-F73 HydrophobicContact CD1-CB 3.95Å; Y41-F73 AromaticContact CD1-CD2 3.99Å; Y41-F73 HydrophobicContact CD1-CD2 3.99Å; Y41-F73 HydrophobicContact CD1-CG 4.49Å; Y41-F73 HydrophobicContact CE1-CB 3.85Å; Y41-F73 HydrophobicContact CG-CD2 4.28Å; Y41-F73 WeakPolarHBondContact O-CE2 3.12Å; H44-F73 HydrophobicContact CB-CE2 3.79Å; H44-F73 HydrophobicContact CB-CZ 4.03Å; A45-F73 HydrophobicContact CB-CE2 4.02Å; A45-F73 HydrophobicContact CB-CZ 4.38Å; L48-F73 HydrophobicContact CD2-CE1 4.27Å; L48-F73 HydrophobicContact CD2-CZ 4.39Å; F73-V75 HydrophobicContact CE1-CG2 4.14Å; F73-G90 WeakPolarHBondContact O-CA 3.08Å; F73-G90 PolarHBondContact O-N 3.3Å; F73-F101 HydrophobicContact CD1-CD1 4.28Å; F73-F101 AromaticContact CD2-CD1 3.61Å; F73-F101 HydrophobicContact CD2-CD1 3.61Å; F73-F101 AromaticContact CD2-CE1 3.69Å; F73-F101 HydrophobicContact CD2-CE1 3.69Å; F73-F101 HydrophobicContact CE1-CD1 4.44Å; F73-F101 AromaticContact CE2-CD1 3.76Å; F73-F101 HydrophobicContact CE2-CD1 3.76Å; F73-F101 HydrophobicContact CE2-CE1 4.1Å; F73-F101 AromaticContact CG-CD1 3.88Å; F73-F101 HydrophobicContact CG-CD1 3.88Å; F73-F101 HydrophobicContact CG-CE1 4.19Å; F73-F101 HydrophobicContact CZ-CD1 4.19Å; F73-P102 VanDerWaalsContact CE1-CD 3.42Å; F73-P102 HydrophobicContact CE1-CG 4.08Å |
| 74 | E | 92.7 | Very high | 87.8 | Confident | 20 Ų | 20 | 74.6 Ų | 74.6 | 9% | 0.093 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 141.8 | -172.6 | -48 | -65.2 | 101.4 | 0 | 0 | 109.1 | E33 W88 T89 G90 I91 | E33-E74 HydrophobicContact CB-CB 4.28Å; E33-E74 PolarHBondContact N-O 2.96Å; E33-E74 PolarHBondContact O-N 3.41Å; E74-W88 WeakPolarHBondContact CA-O 3.35Å; E74-T89 VanDerWaalsContact CD-OG1 3.27Å; E74-T89 WeakPolarHBondContact OE1-CA 3.28Å; E74-T89 PolarHBondContact OE1-OG1 2.81Å; E74-T89 VanDerWaalsContact OE1-OG1 3.13Å; E74-T89 WeakPolarHBondContact OE2-CB 3.26Å; E74-T89 PolarHBondContact OE2-OG1 3.33Å; E74-G90 PolarHBondContact OE1-N 3.41Å; E74-I91 WeakPolarHBondContact OE1-CG1 3.29Å; E74-I91 PolarHBondContact OE1-N 3.21Å |
| 75 | V | 91.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 133.6 | 174.7 | -168.2 | 0 | 0 | 0 | 0 | 108 | V30 V31 I32 L48 F73 L87 W88 P102 L107 | V30-V75 HydrophobicContact CG1-CG1 3.87Å; V31-V75 WeakPolarHBondContact O-CA 3.49Å; I32-V75 HydrophobicContact CG1-CG1 4.36Å; L48-V75 HydrophobicContact CD2-CG2 3.74Å; F73-V75 HydrophobicContact CE1-CG2 4.14Å; V75-L87 HydrophobicContact CB-CB 4.31Å; V75-L87 HydrophobicContact CG1-CB 4.27Å; V75-L87 HydrophobicContact CG1-CD1 4.15Å; V75-L87 PolarHBondContact O-N 2.66Å; V75-W88 HydrophobicContact CB-CB 3.91Å; V75-W88 HydrophobicContact CG2-CB 3.98Å; V75-W88 PolarHBondContact N-O 3.24Å; V75-W88 PolarHBondContact O-N 3.27Å; V75-P102 HydrophobicContact CG2-CG 4.33Å; V75-L107 HydrophobicContact CB-CD2 4.35Å; V75-L107 HydrophobicContact CG1-CD1 3.97Å; V75-L107 HydrophobicContact CG2-CD1 4.47Å; V75-L107 HydrophobicContact CG2-CD2 4.5Å |
| 76 | T | 90.5 | Very high | 87.4 | Confident | 2 Ų | 2 | 75.9 Ų | 75.9 | 1% | 0.012 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 137.5 | -170.3 | -73.5 | 0 | 0 | 0 | 0 | 110 | V30 V31 L78 R84 V85 | V30-T76 CarbonylContact C-O 3.54Å; V30-T76 WeakPolarHBondContact CA-O 3.44Å; V31-T76 PolarHBondContact N-O 3.04Å; V31-T76 PolarHBondContact O-N 2.78Å; T76-L78 HydrophobicContact CG2-CD2 4.11Å; T76-R84 HydrophobicContact CG2-CG 3.2Å; T76-R84 PolarHBondContact OG1-NE 3.38Å; T76-R84 PolarHBondContact OG1-NH2 2.97Å; T76-V85 CarbonylContact C-O 3.54Å; T76-V85 VanDerWaalsContact CA-O 3.27Å; T76-V85 WeakPolarHBondContact CA-O 3.34Å |
| 77 | L | 89.5 | Confident | 87.3 | Confident | 11 Ų | 11 | 73 Ų | 73 | 6% | 0.058 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 124.2 | 167.3 | -167.2 | 69 | 0 | 0 | 0 | 108.8 | A28 V30 R84 V85 L87 V109 | A28-L77 HydrophobicContact CB-CD1 3.98Å; A28-L77 HydrophobicContact CB-CG 4.3Å; V30-L77 HydrophobicContact CG2-CD1 3.67Å; L77-R84 WeakPolarHBondContact O-CA 3.43Å; L77-V85 HydrophobicContact CB-CB 4.21Å; L77-V85 PolarHBondContact N-O 2.93Å; L77-V85 PolarHBondContact O-N 3.38Å; L77-L87 HydrophobicContact CB-CD1 4.05Å; L77-L87 HydrophobicContact CB-CD2 4.3Å; L77-L87 HydrophobicContact CB-CG 4.15Å; L77-V109 HydrophobicContact CD2-CB 4.5Å; L77-V109 HydrophobicContact CD2-CG1 4.49Å |
| 78 | L | 88.3 | Confident | 87.3 | Confident | 63 Ų | 63 | 64.5 Ų | 64.5 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 125 | 166.8 | -62.1 | -179.7 | 0 | 0 | 0 | 107.5 | A28 T29 V31 T76 R84 | A28-L78 CarbonylContact C-O 3.37Å; A28-L78 WeakPolarHBondContact CA-O 3.41Å; T29-L78 PolarHBondContact N-O 3.13Å; T29-L78 PolarHBondContact O-N 2.92Å; V31-L78 HydrophobicContact CG2-CD1 3.53Å; V31-L78 HydrophobicContact CG2-CG 3.89Å; T76-L78 HydrophobicContact CG2-CD2 4.11Å; L78-R84 HydrophobicContact CD2-CB 4.22Å; L78-R84 HydrophobicContact CD2-CG 4.09Å |
| 79 | R | 85.4 | Confident | 87.3 | Confident | 111 Ų | 111 | 64 Ų | 64 | 42% | 0.419 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -102.2 | 162.3 | 177.8 | -178.5 | -171.5 | -67.1 | -178.7 | -3.1 | 110.5 | G27 D81 N82 S83 P110 | G27-R79 CarbonylContact O-C 3.4Å; R79-D81 WeakPolarHBondContact CB-OD1 3.37Å; R79-D81 WeakPolarHBondContact CD-OD1 3.31Å; R79-D81 WeakPolarHBondContact CG-OD1 3.39Å; R79-D81 PolarHBondContact O-N 2.77Å; R79-D81 VanDerWaalsContact O-N 3.11Å; R79-N82 WeakPolarHBondContact O-CA 3.32Å; R79-N82 PolarHBondContact O-N 3.42Å; R79-S83 PolarHBondContact N-O 2.95Å; R79-P110 PolarHBondContact NH2-O 3.31Å |
| 80 | S | 79.8 | Confident | 87.2 | Confident | 88 Ų | 88 | 56.2 Ų | 56.2 | 62% | 0.615 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -29.6 | 176.7 | -57.7 | 0 | 0 | 0 | 0 | 115.1 | E26 G27 N82 | E26-S80 PolarHBondContact O-OG 2.89Å; G27-S80 VanDerWaalsContact C-OG 3.26Å; G27-S80 WeakPolarHBondContact CA-OG 3.14Å; G27-S80 PolarHBondContact N-OG 3.17Å; G27-S80 WeakPolarHBondContact O-CA 2.99Å; G27-S80 PolarHBondContact O-N 3.18Å; G27-S80 PolarHBondContact O-OG 3.07Å; S80-N82 PolarHBondContact O-N 2.78Å |
| 81 | D | 79.4 | Confident | 87.1 | Confident | 98 Ų | 98 | 49.2 Ų | 49.2 | 52% | 0.524 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 11.7 | 177.4 | 69.6 | -38.9 | 0 | 0 | 0 | 112.8 | R79 S83 | R79-D81 WeakPolarHBondContact CB-OD1 3.37Å; R79-D81 WeakPolarHBondContact CD-OD1 3.31Å; R79-D81 WeakPolarHBondContact CG-OD1 3.39Å; R79-D81 PolarHBondContact O-N 2.77Å; R79-D81 VanDerWaalsContact O-N 3.11Å; D81-S83 PolarHBondContact O-N 3.13Å; D81-S83 VanDerWaalsContact O-N 3.16Å; D81-S83 WeakPolarHBondContact OD1-CB 3.27Å; D81-S83 PolarHBondContact OD1-N 3.39Å; D81-S83 PolarHBondContact OD1-OG 3.32Å; D81-S83 WeakPolarHBondContact OD2-CB 3.26Å; D81-S83 PolarHBondContact OD2-OG 3.33Å |
| 82 | N | 78.1 | Confident | 86.8 | Confident | 154 Ų | 154 | 55.5 Ų | 55.5 | 82% | 0.824 | 27% | 0.274 | S | S | * | . | S | Bend | trans | 60.8 | 16.9 | -174.3 | -153.7 | 38 | 0 | 0 | 0 | 113.1 | R79 S80 | R79-N82 WeakPolarHBondContact O-CA 3.32Å; R79-N82 PolarHBondContact O-N 3.42Å; S80-N82 PolarHBondContact O-N 2.78Å |
| 83 | S | 83.1 | Confident | 86.5 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 25% | 0.252 | 29% | 0.293 | S | S | . | . | trans | -78.4 | 145.9 | 172.2 | 70.6 | 0 | 0 | 0 | 0 | 110.7 | R79 D81 | R79-S83 PolarHBondContact N-O 2.95Å; D81-S83 PolarHBondContact O-N 3.13Å; D81-S83 VanDerWaalsContact O-N 3.16Å; D81-S83 WeakPolarHBondContact OD1-CB 3.27Å; D81-S83 PolarHBondContact OD1-N 3.39Å; D81-S83 PolarHBondContact OD1-OG 3.32Å; D81-S83 WeakPolarHBondContact OD2-CB 3.26Å; D81-S83 PolarHBondContact OD2-OG 3.33Å | ||
| 84 | R | 86 | Confident | 85.6 | Confident | 159 Ų | 159 | 61.2 Ų | 61.2 | 60% | 0.6 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 121.5 | 178.7 | -175.6 | -174.5 | 172.5 | 155.8 | 3.2 | 109.1 | T76 L77 L78 | T76-R84 HydrophobicContact CG2-CG 3.2Å; T76-R84 PolarHBondContact OG1-NE 3.38Å; T76-R84 PolarHBondContact OG1-NH2 2.97Å; L77-R84 WeakPolarHBondContact O-CA 3.43Å; L78-R84 HydrophobicContact CD2-CB 4.22Å; L78-R84 HydrophobicContact CD2-CG 4.09Å |
| 85 | V | 87.7 | Confident | 84.5 | Confident | 38 Ų | 38 | 66.4 Ų | 66.4 | 23% | 0.23 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 122.2 | 170.7 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | T76 L77 L87 P110 | T76-V85 CarbonylContact C-O 3.54Å; T76-V85 VanDerWaalsContact CA-O 3.27Å; T76-V85 WeakPolarHBondContact CA-O 3.34Å; L77-V85 HydrophobicContact CB-CB 4.21Å; L77-V85 PolarHBondContact N-O 2.93Å; L77-V85 PolarHBondContact O-N 3.38Å; V85-L87 HydrophobicContact CG1-CD2 4.19Å; V85-L87 PolarHBondContact O-N 2.95Å; V85-P110 HydrophobicContact CB-CG 4.47Å; V85-P110 HydrophobicContact CG1-CG 3.59Å; V85-P110 HydrophobicContact CG2-CG 4.37Å |
| 86 | E | 89.2 | Confident | 84 | Confident | 100 Ų | 100 | 70.3 Ų | 70.3 | 47% | 0.467 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 107.8 | 169.6 | -178.6 | 178.7 | 106 | 0 | 0 | 108.7 | T89 K92 | E86-T89 VanDerWaalsContact OE1-CG2 3.26Å; E86-T89 WeakPolarHBondContact OE1-CG2 3.49Å; E86-K92 IonicContact OE1-NZ 3.47Å; E86-K92 PolarHBondContact OE1-NZ 3.3Å; E86-K92 IonicContact OE2-NZ 2.77Å; E86-K92 PolarHBondContact OE2-NZ 3.45Å |
| 87 | L | 87 | Confident | 83.1 | Confident | 27 Ų | 27 | 75.6 Ų | 75.6 | 14% | 0.141 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -35.8 | 174.4 | -60.7 | 178.9 | 0 | 0 | 0 | 110.8 | V75 L77 V85 L107 S108 V109 | V75-L87 HydrophobicContact CB-CB 4.31Å; V75-L87 HydrophobicContact CG1-CB 4.27Å; V75-L87 HydrophobicContact CG1-CD1 4.15Å; V75-L87 PolarHBondContact O-N 2.66Å; L77-L87 HydrophobicContact CB-CD1 4.05Å; L77-L87 HydrophobicContact CB-CD2 4.3Å; L77-L87 HydrophobicContact CB-CG 4.15Å; V85-L87 HydrophobicContact CG1-CD2 4.19Å; V85-L87 PolarHBondContact O-N 2.95Å; L87-L107 HydrophobicContact CB-CD2 4.16Å; L87-S108 WeakPolarHBondContact CD2-O 3.43Å; L87-V109 HydrophobicContact CD1-CG1 4.01Å; L87-V109 HydrophobicContact CD2-CG1 4.27Å |
| 88 | W | 90.6 | Very high | 82.6 | Confident | 22 Ų | 22 | 83.9 Ų | 83.9 | 8% | 0.083 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 143.8 | 179.1 | -176.1 | -96.8 | 0 | 0 | 0 | 112.6 | E74 V75 K93 L99 K100 P102 E106 L107 | E74-W88 WeakPolarHBondContact CA-O 3.35Å; V75-W88 HydrophobicContact CB-CB 3.91Å; V75-W88 HydrophobicContact CG2-CB 3.98Å; V75-W88 PolarHBondContact N-O 3.24Å; V75-W88 PolarHBondContact O-N 3.27Å; W88-K93 HydrophobicContact CH2-CD 4.35Å; W88-K93 HydrophobicContact CZ2-CD 4.35Å; W88-K93 HydrophobicContact CZ2-CG 4.23Å; W88-L99 WeakPolarHBondContact CZ2-O 3.37Å; W88-K100 PolarHBondContact NE1-O 3.36Å; W88-P102 HydrophobicContact CB-CG 4.44Å; W88-P102 HydrophobicContact CD2-CB 3.69Å; W88-P102 HydrophobicContact CD2-CG 4.14Å; W88-P102 HydrophobicContact CE3-CB 3.89Å; W88-P102 HydrophobicContact CG-CB 4.02Å; W88-P102 HydrophobicContact CG-CG 3.97Å; W88-P102 HydrophobicContact CH2-CB 4.38Å; W88-P102 HydrophobicContact CZ2-CB 4.25Å; W88-P102 HydrophobicContact CZ3-CB 4.25Å; W88-E106 WeakPolarHBondContact CH2-OE1 3.49Å; W88-E106 HydrophobicContact CZ3-CG 4.33Å; W88-E106 WeakPolarHBondContact CZ3-OE1 3.49Å; W88-L107 HydrophobicContact CB-CD2 3.7Å; W88-L107 HydrophobicContact CG-CD2 4.48Å |
| 89 | T | 89.9 | Confident | 82.2 | Confident | 14 Ų | 14 | 85.8 Ų | 85.8 | 9% | 0.086 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 113.1 | 168.6 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | E74 E86 I91 K92 K93 | E74-T89 VanDerWaalsContact CD-OG1 3.27Å; E74-T89 WeakPolarHBondContact OE1-CA 3.28Å; E74-T89 PolarHBondContact OE1-OG1 2.81Å; E74-T89 VanDerWaalsContact OE1-OG1 3.13Å; E74-T89 WeakPolarHBondContact OE2-CB 3.26Å; E74-T89 PolarHBondContact OE2-OG1 3.33Å; E86-T89 VanDerWaalsContact OE1-CG2 3.26Å; E86-T89 WeakPolarHBondContact OE1-CG2 3.49Å; T89-I91 VanDerWaalsContact C-N 3.29Å; T89-I91 PolarHBondContact OG1-N 3.22Å; T89-K92 HydrophobicContact CG2-CB 3.98Å; T89-K92 HydrophobicContact CG2-CD 3.48Å; T89-K92 VanDerWaalsContact CG2-CD 3.48Å; T89-K92 HydrophobicContact CG2-CG 3.67Å; T89-K93 WeakPolarHBondContact O-CG 3.25Å |
| 90 | G | 86.9 | Confident | 82 | Confident | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -74.7 | -23.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F73 E74 K92 K93 K100 | F73-G90 WeakPolarHBondContact O-CA 3.08Å; F73-G90 PolarHBondContact O-N 3.3Å; E74-G90 PolarHBondContact OE1-N 3.41Å; G90-K92 PolarHBondContact O-N 3.19Å; G90-K93 PolarHBondContact O-N 3.16Å; G90-K100 WeakPolarHBondContact CA-O 2.92Å; G90-K100 WeakPolarHBondContact O-CE 3.37Å |
| 91 | I | 84.2 | Confident | 82.3 | Confident | 70 Ų | 70 | 78.8 Ų | 78.8 | 36% | 0.359 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -61.9 | -44.1 | -178.9 | -67.5 | 171.3 | 0 | 0 | 0 | 111.4 | E74 T89 K93 | E74-I91 WeakPolarHBondContact OE1-CG1 3.29Å; E74-I91 PolarHBondContact OE1-N 3.21Å; T89-I91 VanDerWaalsContact C-N 3.29Å; T89-I91 PolarHBondContact OG1-N 3.22Å; I91-K93 VanDerWaalsContact C-N 3.25Å; I91-K93 PolarHBondContact O-N 2.91Å |
| 92 | K | 80.8 | Confident | 82.4 | Confident | 151 Ų | 151 | 74.7 Ų | 74.7 | 66% | 0.657 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -17.3 | -176 | -57.9 | -178.2 | -165.2 | 150.4 | 0 | 113.3 | E86 T89 G90 G94 | E86-K92 IonicContact OE1-NZ 3.47Å; E86-K92 PolarHBondContact OE1-NZ 3.3Å; E86-K92 IonicContact OE2-NZ 2.77Å; E86-K92 PolarHBondContact OE2-NZ 3.45Å; T89-K92 HydrophobicContact CG2-CB 3.98Å; T89-K92 HydrophobicContact CG2-CD 3.48Å; T89-K92 VanDerWaalsContact CG2-CD 3.48Å; T89-K92 HydrophobicContact CG2-CG 3.67Å; G90-K92 PolarHBondContact O-N 3.19Å; K92-G94 VanDerWaalsContact C-N 3.25Å; K92-G94 PolarHBondContact O-N 2.89Å |
| 93 | K | 81.9 | Confident | 82.4 | Confident | 93 Ų | 93 | 73 Ų | 73 | 40% | 0.404 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -2.5 | -175.4 | -61.4 | -82.3 | -177.5 | 165.5 | 0 | 114.2 | W88 T89 G90 I91 L99 K100 | W88-K93 HydrophobicContact CH2-CD 4.35Å; W88-K93 HydrophobicContact CZ2-CD 4.35Å; W88-K93 HydrophobicContact CZ2-CG 4.23Å; T89-K93 WeakPolarHBondContact O-CG 3.25Å; G90-K93 PolarHBondContact O-N 3.16Å; I91-K93 VanDerWaalsContact C-N 3.25Å; I91-K93 PolarHBondContact O-N 2.91Å; K93-L99 HydrophobicContact CB-CB 4.39Å; K93-L99 WeakPolarHBondContact CB-O 2.81Å; K93-L99 VanDerWaalsContact CG-O 3.31Å; K93-L99 WeakPolarHBondContact CG-O 3.47Å; K93-K100 HydrophobicContact CB-CG 4.35Å |
| 94 | G | 74.2 | Confident | 81.7 | Confident | 29 Ų | 29 | 73.4 Ų | 73.4 | 30% | 0.299 | 36% | 0.363 | S | S | . | . | trans | 59.5 | -168.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K92 | K92-G94 VanDerWaalsContact C-N 3.25Å; K92-G94 PolarHBondContact O-N 2.89Å | ||
| 95 | P | 69.9 | Low | 80.6 | Confident | 129 Ų | 129 | 72 Ų | 72 | 84% | 0.838 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -71.3 | 139.4 | 155 | -2.7 | 20.6 | 0 | 0 | 0 | 108.3 | ||
| 96 | P | 82.3 | Confident | 79.6 | Confident | 81 Ų | 81 | 75.4 Ų | 75.4 | 53% | 0.526 | 38% | 0.376 | S | S | . | . | cis | -84.8 | 147.7 | 12.3 | -15.3 | 32.7 | 0 | 0 | 0 | 115.8 | K98 L99 | P96-K98 PolarHBondContact O-N 2.89Å; P96-L99 PolarHBondContact O-N 2.92Å; P96-L99 VanDerWaalsContact O-N 3.11Å | ||
| 97 | R | 71.8 | Confident | 78.5 | Confident | 114 Ų | 114 | 71.1 Ų | 71.1 | 43% | 0.43 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -57.2 | -28.4 | -175.3 | -168.3 | 179 | -175.1 | 155 | 17 | 114.7 | Y41 L99 K100 F101 | Y41-R97 VanDerWaalsContact CD2-NH2 3.29Å; Y41-R97 HydrophobicContact CE2-CG 4.25Å; Y41-R97 VanDerWaalsContact CE2-NH2 3.32Å; R97-L99 VanDerWaalsContact C-N 3.27Å; R97-L99 PolarHBondContact O-N 3.13Å; R97-K100 WeakPolarHBondContact O-CB 3.45Å; R97-K100 PolarHBondContact O-N 2.85Å; R97-F101 HydrophobicContact CG-CE2 4.11Å; R97-F101 HydrophobicContact CG-CZ 4.33Å; R97-F101 WeakPolarHBondContact O-CD2 3.1Å; R97-F101 VanDerWaalsContact O-CE2 3.23Å; R97-F101 WeakPolarHBondContact O-CE2 3.48Å |
| 98 | K | 78.9 | Confident | 77.1 | Confident | 184 Ų | 184 | 74.2 Ų | 74.2 | 80% | 0.8 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -62.4 | -34.9 | -179.7 | -65.5 | -177.6 | -179.1 | -178.6 | 0 | 112.1 | P96 K100 | P96-K98 PolarHBondContact O-N 2.89Å; K98-K100 PolarHBondContact O-N 3.18Å |
| 99 | L | 79.3 | Confident | 75.5 | Confident | 104 Ų | 104 | 74.8 Ų | 74.8 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -77 | -3.2 | -179 | -58 | -179.3 | 0 | 0 | 0 | 113.5 | W88 K93 P96 R97 F101 | W88-L99 WeakPolarHBondContact CZ2-O 3.37Å; K93-L99 HydrophobicContact CB-CB 4.39Å; K93-L99 WeakPolarHBondContact CB-O 2.81Å; K93-L99 VanDerWaalsContact CG-O 3.31Å; K93-L99 WeakPolarHBondContact CG-O 3.47Å; P96-L99 PolarHBondContact O-N 2.92Å; P96-L99 VanDerWaalsContact O-N 3.11Å; R97-L99 VanDerWaalsContact C-N 3.27Å; R97-L99 PolarHBondContact O-N 3.13Å; L99-F101 VanDerWaalsContact C-N 3.33Å |
| 100 | K | 81.6 | Confident | 73.5 | Confident | 30 Ų | 30 | 77.1 Ų | 77.1 | 13% | 0.13 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -86.2 | -8.3 | -179.1 | -56.9 | -170.2 | 73.1 | -170 | 0 | 112.7 | Y41 G71 W88 G90 K93 R97 K98 | Y41-K100 VanDerWaalsContact OH-CD 3.29Å; Y41-K100 WeakPolarHBondContact OH-CD 3.17Å; Y41-K100 VanDerWaalsContact OH-CE 3.25Å; Y41-K100 WeakPolarHBondContact OH-CE 3.43Å; Y41-K100 PolarHBondContact OH-NZ 2.84Å; G71-K100 PolarHBondContact O-NZ 3.24Å; W88-K100 PolarHBondContact NE1-O 3.36Å; G90-K100 WeakPolarHBondContact CA-O 2.92Å; G90-K100 WeakPolarHBondContact O-CE 3.37Å; K93-K100 HydrophobicContact CB-CG 4.35Å; R97-K100 WeakPolarHBondContact O-CB 3.45Å; R97-K100 PolarHBondContact O-N 2.85Å; K98-K100 PolarHBondContact O-N 3.18Å |
| 101 | F | 84.8 | Confident | 71.7 | Confident | 21 Ų | 21 | 79.9 Ų | 79.9 | 9% | 0.092 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -112 | 128 | -179.5 | -49.6 | -68.2 | 0 | 0 | 0 | 108.8 | V40 Y41 H44 F73 R97 L99 | V40-F101 HydrophobicContact CG1-CE2 3.93Å; V40-F101 HydrophobicContact CG1-CZ 3.71Å; Y41-F101 HydrophobicContact CD1-CE1 4.31Å; Y41-F101 AromaticContact CD2-CE1 3.5Å; Y41-F101 HydrophobicContact CD2-CE1 3.5Å; Y41-F101 AromaticContact CD2-CZ 3.38Å; Y41-F101 HydrophobicContact CD2-CZ 3.38Å; Y41-F101 AromaticContact CE2-CE1 3.72Å; Y41-F101 HydrophobicContact CE2-CE1 3.72Å; Y41-F101 AromaticContact CE2-CZ 3.39Å; Y41-F101 HydrophobicContact CE2-CZ 3.39Å; Y41-F101 AromaticContact CG-CE1 3.81Å; Y41-F101 HydrophobicContact CG-CE1 3.81Å; Y41-F101 HydrophobicContact CG-CZ 4.18Å; H44-F101 HydrophobicContact CB-CB 4.41Å; H44-F101 HydrophobicContact CB-CD1 3.58Å; H44-F101 HydrophobicContact CB-CE1 4.04Å; H44-F101 HydrophobicContact CB-CG 4.05Å; H44-F101 AromaticContact CD2-CD1 3.72Å; H44-F101 AromaticContact CD2-CD2 3.64Å; H44-F101 AromaticContact CD2-CE1 3.78Å; H44-F101 AromaticContact CD2-CE2 3.67Å; H44-F101 AromaticContact CD2-CG 3.64Å; H44-F101 AromaticContact CD2-CZ 3.74Å; H44-F101 AromaticContact CE1-CD2 3.95Å; H44-F101 AromaticContact CG-CD1 3.6Å; H44-F101 AromaticContact CG-CG 3.59Å; H44-F101 AromaticContact ND1-CG 3.83Å; H44-F101 AromaticContact NE2-CD2 3.6Å; H44-F101 AromaticContact NE2-CE2 3.79Å; H44-F101 AromaticContact NE2-CG 3.95Å; F73-F101 HydrophobicContact CD1-CD1 4.28Å; F73-F101 AromaticContact CD2-CD1 3.61Å; F73-F101 HydrophobicContact CD2-CD1 3.61Å; F73-F101 AromaticContact CD2-CE1 3.69Å; F73-F101 HydrophobicContact CD2-CE1 3.69Å; F73-F101 HydrophobicContact CE1-CD1 4.44Å; F73-F101 AromaticContact CE2-CD1 3.76Å; F73-F101 HydrophobicContact CE2-CD1 3.76Å; F73-F101 HydrophobicContact CE2-CE1 4.1Å; F73-F101 AromaticContact CG-CD1 3.88Å; F73-F101 HydrophobicContact CG-CD1 3.88Å; F73-F101 HydrophobicContact CG-CE1 4.19Å; F73-F101 HydrophobicContact CZ-CD1 4.19Å; R97-F101 HydrophobicContact CG-CE2 4.11Å; R97-F101 HydrophobicContact CG-CZ 4.33Å; R97-F101 WeakPolarHBondContact O-CD2 3.1Å; R97-F101 VanDerWaalsContact O-CE2 3.23Å; R97-F101 WeakPolarHBondContact O-CE2 3.48Å; L99-F101 VanDerWaalsContact C-N 3.33Å |
| 102 | P | 82.6 | Confident | 70 | Confident | 12 Ų | 12 | 81.1 Ų | 81.1 | 8% | 0.078 | 44% | 0.437 | C | S | . | . | trans | -72.6 | 152.8 | 173.5 | 31.3 | -30.6 | 0 | 0 | 0 | 109.4 | L48 F73 V75 W88 L107 | L48-P102 HydrophobicContact CD2-CG 4.08Å; F73-P102 VanDerWaalsContact CE1-CD 3.42Å; F73-P102 HydrophobicContact CE1-CG 4.08Å; V75-P102 HydrophobicContact CG2-CG 4.33Å; W88-P102 HydrophobicContact CB-CG 4.44Å; W88-P102 HydrophobicContact CD2-CB 3.69Å; W88-P102 HydrophobicContact CD2-CG 4.14Å; W88-P102 HydrophobicContact CE3-CB 3.89Å; W88-P102 HydrophobicContact CG-CB 4.02Å; W88-P102 HydrophobicContact CG-CG 3.97Å; W88-P102 HydrophobicContact CH2-CB 4.38Å; W88-P102 HydrophobicContact CZ2-CB 4.25Å; W88-P102 HydrophobicContact CZ3-CB 4.25Å; P102-L107 HydrophobicContact CB-CD2 3.8Å; P102-L107 HydrophobicContact CB-CG 4.17Å; P102-L107 HydrophobicContact CG-CD1 4.46Å; P102-L107 HydrophobicContact CG-CD2 4.01Å; P102-L107 HydrophobicContact CG-CG 4.38Å | ||
| 103 | E | 78.3 | Confident | 68.4 | Low | 118 Ų | 118 | 78.6 Ų | 78.6 | 55% | 0.551 | 43% | 0.434 | S | S | * | . | trans | -76.7 | 147.6 | 155.6 | -62.3 | -161.5 | 71.5 | 0 | 0 | 109 | Q105 E106 | E103-Q105 HydrophobicContact CB-CG 3.69Å; E103-Q105 PolarHBondContact O-N 2.7Å; E103-Q105 PolarHBondContact OE1-NE2 2.83Å; E103-E106 WeakPolarHBondContact O-CB 3.23Å; E103-E106 PolarHBondContact O-N 3.08Å | ||
| 104 | P | 68.3 | Low | 66.4 | Low | 46 Ų | 46 | 81.2 Ų | 81.2 | 30% | 0.299 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -52.1 | -41 | 178.9 | -25.9 | 34.1 | 0 | 0 | 0 | 112.5 | L48 A51 E106 L107 | L48-P104 HydrophobicContact CD1-CB 4.19Å; L48-P104 HydrophobicContact CD1-CG 4.21Å; A51-P104 HydrophobicContact CB-CB 3.81Å; A51-P104 HydrophobicContact CB-CG 3.76Å; P104-E106 VanDerWaalsContact C-N 3.25Å; P104-E106 PolarHBondContact O-N 3.04Å; P104-L107 PolarHBondContact O-N 3.49Å |
| 105 | Q | 62.3 | Low | 65.1 | Low | 130 Ų | 130 | 82.7 Ų | 82.7 | 61% | 0.607 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -63.1 | -18.8 | 176.2 | 59.5 | -170.9 | -49.9 | 0 | 0 | 115.6 | E103 | E103-Q105 HydrophobicContact CB-CG 3.69Å; E103-Q105 PolarHBondContact O-N 2.7Å; E103-Q105 PolarHBondContact OE1-NE2 2.83Å |
| 106 | E | 66.4 | Low | 63.7 | Low | 108 Ų | 108 | 80.9 Ų | 80.9 | 51% | 0.505 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -88 | -11.8 | -176.8 | -163.1 | 174 | 48.7 | 0 | 0 | 112.4 | W88 E103 P104 S108 | W88-E106 WeakPolarHBondContact CH2-OE1 3.49Å; W88-E106 HydrophobicContact CZ3-CG 4.33Å; W88-E106 WeakPolarHBondContact CZ3-OE1 3.49Å; E103-E106 WeakPolarHBondContact O-CB 3.23Å; E103-E106 PolarHBondContact O-N 3.08Å; P104-E106 VanDerWaalsContact C-N 3.25Å; P104-E106 PolarHBondContact O-N 3.04Å; E106-S108 PolarHBondContact O-N 3.37Å |
| 107 | L | 67.1 | Low | 62 | Low | 11 Ų | 11 | 83.9 Ų | 83.9 | 6% | 0.058 | 45% | 0.445 | C | S | . | . | trans | -83.2 | 84 | -179.9 | -62.2 | -178.2 | 0 | 0 | 0 | 111.2 | L48 V75 L87 W88 P102 P104 V109 | L48-L107 HydrophobicContact CD1-CD1 3.71Å; L48-L107 HydrophobicContact CD2-CD1 3.93Å; L48-L107 HydrophobicContact CG-CD1 4.26Å; V75-L107 HydrophobicContact CB-CD2 4.35Å; V75-L107 HydrophobicContact CG1-CD1 3.97Å; V75-L107 HydrophobicContact CG2-CD1 4.47Å; V75-L107 HydrophobicContact CG2-CD2 4.5Å; L87-L107 HydrophobicContact CB-CD2 4.16Å; W88-L107 HydrophobicContact CB-CD2 3.7Å; W88-L107 HydrophobicContact CG-CD2 4.48Å; P102-L107 HydrophobicContact CB-CD2 3.8Å; P102-L107 HydrophobicContact CB-CG 4.17Å; P102-L107 HydrophobicContact CG-CD1 4.46Å; P102-L107 HydrophobicContact CG-CD2 4.01Å; P102-L107 HydrophobicContact CG-CG 4.38Å; P104-L107 PolarHBondContact O-N 3.49Å; L107-V109 PolarHBondContact O-N 3.47Å; L107-V109 VanDerWaalsContact O-N 3.17Å | ||
| 108 | S | 58.1 | Low | 60.6 | Low | 91 Ų | 91 | 85.2 Ų | 85.2 | 64% | 0.636 | 46% | 0.458 | S | S | * | . | trans | -70.9 | 108.1 | 172.4 | -170.6 | 0 | 0 | 0 | 0 | 110.2 | L87 E106 P110 | L87-S108 WeakPolarHBondContact CD2-O 3.43Å; E106-S108 PolarHBondContact O-N 3.37Å; S108-P110 VanDerWaalsContact O-CD 3.31Å; S108-P110 WeakPolarHBondContact O-CD 3.47Å | ||
| 109 | V | 56.8 | Low | 59.2 | Low | 35 Ų | 35 | 82 Ų | 82 | 21% | 0.212 | 45% | 0.453 | C | S | . | . | trans | -76 | 115.4 | 169.4 | -71.3 | 0 | 0 | 0 | 0 | 109.1 | L77 L87 L107 G111 | L77-V109 HydrophobicContact CD2-CB 4.5Å; L77-V109 HydrophobicContact CD2-CG1 4.49Å; L87-V109 HydrophobicContact CD1-CG1 4.01Å; L87-V109 HydrophobicContact CD2-CG1 4.27Å; L107-V109 PolarHBondContact O-N 3.47Å; L107-V109 VanDerWaalsContact O-N 3.17Å; V109-G111 PolarHBondContact O-N 3.33Å | ||
| 110 | P | 48 | Very low | 57.7 | Low | 63 Ų | 63 | 82.9 Ų | 82.9 | 41% | 0.409 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 92.5 | 179.9 | 29 | -29.7 | 0 | 0 | 0 | 109.3 | R79 V85 S108 | R79-P110 PolarHBondContact NH2-O 3.31Å; V85-P110 HydrophobicContact CB-CG 4.47Å; V85-P110 HydrophobicContact CG1-CG 3.59Å; V85-P110 HydrophobicContact CG2-CG 4.37Å; S108-P110 VanDerWaalsContact O-CD 3.31Å; S108-P110 WeakPolarHBondContact O-CD 3.47Å |
| 111 | G | 48.3 | Very low | 55.7 | Low | 57 Ų | 57 | 84.2 Ų | 84.2 | 59% | 0.588 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 172.5 | -33.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V109 | V109-G111 PolarHBondContact O-N 3.33Š|
| 112 | D | 48.2 | Very low | 53.9 | Low | 97 Ų | 97 | 92.1 Ų | 92.1 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | trans | -131.6 | 49.3 | -166.4 | -59.2 | -79.9 | 0 | 0 | 0 | 112.1 | E114 A115 F116 | D112-E114 PolarHBondContact O-N 3.23Å; D112-E114 VanDerWaalsContact O-N 3.07Å; D112-A115 HydrophobicContact CB-CB 4.28Å; D112-A115 PolarHBondContact O-N 3.23Å; D112-F116 PolarHBondContact O-N 3.41Å | ||
| 113 | V | 47 | Very low | 51.9 | Low | 97 Ų | 97 | 101 Ų | 101 | 59% | 0.588 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.2 | -13.4 | 170.1 | -64.9 | 0 | 0 | 0 | 0 | 112.4 | M117 | V113-M117 WeakPolarHBondContact O-CB 3.43Å; V113-M117 VanDerWaalsContact O-CG 3.27Å; V113-M117 WeakPolarHBondContact O-CG 3.31Å |
| 114 | E | 41.2 | Very low | 50.5 | Low | 148 Ų | 148 | 100.2 Ų | 100.2 | 69% | 0.692 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -81.9 | -42.8 | 173.4 | -108.6 | 179.7 | 88.7 | 0 | 0 | 113.5 | D112 M118 | D112-E114 PolarHBondContact O-N 3.23Å; D112-E114 VanDerWaalsContact O-N 3.07Å; E114-M118 WeakPolarHBondContact O-CG 3.34Å; E114-M118 PolarHBondContact O-N 2.96Å |
| 115 | A | 45.4 | Very low | 49.6 | Very low | 60 Ų | 60 | 103 Ų | 103 | 50% | 0.496 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72.8 | -36.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D112 M118 | D112-A115 HydrophobicContact CB-CB 4.28Å; D112-A115 PolarHBondContact O-N 3.23Å; A115-M118 PolarHBondContact O-N 3.26Å |
| 116 | F | 42.4 | Very low | 48.9 | Very low | 91 Ų | 91 | 101.5 Ų | 101.5 | 40% | 0.399 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -74.1 | -29.3 | 178.4 | -158.3 | -98.3 | 0 | 0 | 0 | 112.6 | D112 | D112-F116 PolarHBondContact O-N 3.41Å |
| 117 | M | 44.8 | Very low | 47.9 | Very low | 145 Ų | 145 | 101.1 Ų | 101.1 | 71% | 0.714 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -77.6 | -19.4 | 172.8 | -78.4 | -167.5 | -168.3 | 0 | 0 | 113.9 | V113 | V113-M117 WeakPolarHBondContact O-CB 3.43Å; V113-M117 VanDerWaalsContact O-CG 3.27Å; V113-M117 WeakPolarHBondContact O-CG 3.31Å |
| 118 | M | 42.6 | Very low | 46.7 | Very low | 141 Ų | 141 | 106.8 Ų | 106.8 | 70% | 0.695 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -82.1 | -23.7 | -179 | -79.9 | -176.6 | -174.2 | 0 | 0 | 114.4 | E114 A115 | E114-M118 WeakPolarHBondContact O-CG 3.34Å; E114-M118 PolarHBondContact O-N 2.96Å; A115-M118 PolarHBondContact O-N 3.26Å |
| 119 | V | 49.2 | Very low | 45.9 | Very low | 116 Ų | 116 | 107.8 Ų | 107.8 | 70% | 0.703 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -81.6 | -28.5 | 178.5 | -179.9 | 0 | 0 | 0 | 0 | 112.4 | ||
| 120 | H | 48.1 | Very low | 45.1 | Very low | 123 Ų | 123 | 113 Ų | 113 | 57% | 0.569 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 36 | 175.3 | -69.4 | -71.2 | 0 | 0 | 0 | 113 | Q122 | H120-Q122 PolarHBondContact O-N 3.11Š|
| 121 | G | 39.6 | Very low | 44.9 | Very low | 59 Ų | 59 | 116.8 Ų | 116.8 | 61% | 0.608 | 67% | 0.666 | S | S | * | * | trans | -57.6 | 80.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | T123 | G121-T123 PolarHBondContact O-N 3.05Å; G121-T123 VanDerWaalsContact O-N 3.08Å | ||
| 122 | Q | 48.1 | Very low | 44.6 | Very low | 186 Ų | 186 | 121.8 Ų | 121.8 | 87% | 0.869 | 67% | 0.673 | S | S | * | * | trans | -63.7 | 103.5 | 160.1 | -128.4 | 158.4 | 86.5 | 0 | 0 | 105.5 | H120 | H120-Q122 PolarHBondContact O-N 3.11Š| ||
| 123 | T | 38.9 | Very low | 44.3 | Very low | 199 Ų | 199 | 124.1 Ų | 124.1 | 100% | 1.221 | 69% | 0.687 | S | S | * | * | trans | -58.5 | 0 | 155.4 | 147.5 | 0 | 0 | 0 | 0 | 110.2 | G121 | G121-T123 PolarHBondContact O-N 3.05Å; G121-T123 VanDerWaalsContact O-N 3.08Å |
Retrieved 123 of 123 residues in 221.1 ms
(Link to these results)