| 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 | 52.5 | Low | 79.8 | Confident | 229 Ų | 229 | 99.2 Ų | 99.2 | 100% | 1.128 | 55% | 0.549 | S | S | * | . | 0 | 130.1 | 0 | -65.8 | -160.1 | -172.8 | 0 | 0 | 108.3 | |||||
| 2 | S | 68.5 | Low | 80.2 | Confident | 80 Ų | 80 | 99.6 Ų | 99.6 | 56% | 0.559 | 54% | 0.537 | S | S | * | . | trans | -69.2 | 148.8 | -176.4 | 60.1 | 0 | 0 | 0 | 0 | 111.3 | N4 V5 | S2-N4 PolarHBondContact O-N 3.48Å; S2-V5 PolarHBondContact O-N 3.42Å | ||
| 3 | G | 68.3 | Low | 80.4 | Confident | 38 Ų | 38 | 95.8 Ų | 95.8 | 39% | 0.392 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 11 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | R8 | G3-R8 PolarHBondContact O-NE 3.31Å; G3-R8 VanDerWaalsContact O-NE 3.13Å; G3-R8 PolarHBondContact O-NH2 2.74Å |
| 4 | N | 78.3 | Confident | 80.3 | Confident | 135 Ų | 135 | 89.6 Ų | 89.6 | 72% | 0.722 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -13 | 178.8 | -65.5 | -9.2 | 0 | 0 | 0 | 112.9 | S2 R8 | S2-N4 PolarHBondContact O-N 3.48Å; N4-R8 PolarHBondContact OD1-NH2 3.42Å |
| 5 | V | 87.1 | Confident | 79.6 | Confident | 102 Ų | 102 | 91.1 Ų | 91.1 | 62% | 0.618 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -83 | -30.8 | -179 | -177.3 | 0 | 0 | 0 | 0 | 112 | S2 | S2-V5 PolarHBondContact O-N 3.42Š|
| 6 | L | 85.6 | Confident | 78.7 | Confident | 106 Ų | 106 | 86.3 Ų | 86.3 | 56% | 0.555 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -90.1 | 142.7 | -179.2 | -62 | 177.4 | 0 | 0 | 0 | 110.9 | ||
| 7 | P | 86.9 | Confident | 78 | Confident | 75 Ų | 75 | 84.2 Ų | 84.2 | 49% | 0.487 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 141.2 | 171.8 | 28 | -34.7 | 0 | 0 | 0 | 109.7 | F127 | P7-F127 HydrophobicContact CG-CD1 4.11Å; P7-F127 HydrophobicContact CG-CD2 4.46Å; P7-F127 HydrophobicContact CG-CE1 3.95Å; P7-F127 HydrophobicContact CG-CE2 4.29Å; P7-F127 HydrophobicContact CG-CG 4.39Å; P7-F127 HydrophobicContact CG-CZ 4.04Å |
| 8 | R | 88.4 | Confident | 77.3 | Confident | 127 Ų | 127 | 85.7 Ų | 85.7 | 48% | 0.479 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -101.7 | 141.2 | 175.4 | -60.7 | -171.3 | -177.8 | -166.9 | 8.1 | 110.3 | G3 N4 P128 | G3-R8 PolarHBondContact O-NE 3.31Å; G3-R8 VanDerWaalsContact O-NE 3.13Å; G3-R8 PolarHBondContact O-NH2 2.74Å; N4-R8 PolarHBondContact OD1-NH2 3.42Å; R8-P128 CarbonylContact C-O 3.54Å; R8-P128 VanDerWaalsContact CA-O 3.27Å; R8-P128 WeakPolarHBondContact CA-O 3.48Å; R8-P128 HydrophobicContact CG-CB 4.48Å |
| 9 | A | 86.5 | Confident | 76.8 | Confident | 22 Ų | 22 | 85.9 Ų | 85.9 | 18% | 0.182 | 48% | 0.476 | C | S | . | . | B | Isolated β-bridge | trans | -97.6 | 151.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | F127 P128 I129 Y130 | A9-F127 HydrophobicContact CB-CB 4.12Å; A9-P128 PolarHBondContact N-O 2.97Å; A9-I129 CarbonylContact O-C 3.58Å; A9-I129 WeakPolarHBondContact O-CA 3.27Å; A9-Y130 PolarHBondContact O-N 3.41Å |
| 10 | I | 87.1 | Confident | 77 | Confident | 105 Ų | 105 | 92 Ų | 92 | 54% | 0.538 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -93.5 | 144.2 | 165.1 | -62.1 | 172.6 | 0 | 0 | 0 | 107.2 | Y12 | I10-Y12 WeakPolarHBondContact O-CD1 3.09Å; I10-Y12 PolarHBondContact O-N 3.2Å |
| 11 | L | 88.6 | Confident | 77.4 | Confident | 72 Ų | 72 | 96.9 Ų | 96.9 | 38% | 0.377 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 127.3 | 173.7 | -176.6 | 65.9 | 0 | 0 | 0 | 109.9 | I129 K131 Y132 S134 | L11-I129 HydrophobicContact CB-CG2 4.25Å; L11-K131 WeakPolarHBondContact CB-O 3.27Å; L11-Y132 VanDerWaalsContact CD2-O 3.22Å; L11-Y132 WeakPolarHBondContact CD2-O 3.41Å; L11-S134 WeakPolarHBondContact O-CB 3.23Å; L11-S134 PolarHBondContact O-OG 3.08Å; L11-S134 VanDerWaalsContact O-OG 3.05Å |
| 12 | Y | 84.7 | Confident | 79 | Confident | 104 Ų | 104 | 93.2 Ų | 93.2 | 41% | 0.408 | 49% | 0.49 | S | S | . | . | trans | -145.5 | 150.2 | 170.8 | 68.3 | -86 | 0 | 0 | 0 | 109.8 | I10 F82 V124 | I10-Y12 WeakPolarHBondContact O-CD1 3.09Å; I10-Y12 PolarHBondContact O-N 3.2Å; Y12-F82 AromaticContact CE2-CD1 3.76Å; Y12-F82 HydrophobicContact CE2-CD1 3.76Å; Y12-F82 AromaticContact CE2-CE1 3.72Å; Y12-F82 HydrophobicContact CE2-CE1 3.72Å; Y12-V124 HydrophobicContact CE1-CG1 4.08Å; Y12-V124 HydrophobicContact CE2-CG2 4.28Å | ||
| 13 | A | 82.4 | Confident | 79.8 | Confident | 51 Ų | 51 | 91.2 Ų | 91.2 | 42% | 0.421 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -83.4 | 142.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | T18 | A13-T18 HydrophobicContact CB-CG2 3.35Š|
| 14 | V | 79.8 | Confident | 80.8 | Confident | 9 Ų | 9 | 91.9 Ų | 91.9 | 6% | 0.055 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -66 | 146.4 | 171.4 | -166.5 | 0 | 0 | 0 | 0 | 109.7 | G16 T17 Q25 F82 | V14-G16 PolarHBondContact O-N 3.13Å; V14-T17 HydrophobicContact CB-CG2 4.1Å; V14-T17 HydrophobicContact CG2-CG2 4.34Å; V14-T17 PolarHBondContact O-N 3.17Å; V14-T17 PolarHBondContact O-OG1 3.42Å; V14-Q25 HydrophobicContact CB-CG 4.47Å; V14-Q25 VanDerWaalsContact CG1-CD 3.49Å; V14-Q25 HydrophobicContact CG1-CG 4.27Å; V14-Q25 VanDerWaalsContact CG1-OE1 3.24Å; V14-Q25 HydrophobicContact CG2-CG 4.24Å; V14-F82 VanDerWaalsContact CA-CE1 3.45Å; V14-F82 HydrophobicContact CB-CD1 4Å; V14-F82 HydrophobicContact CB-CE1 3.27Å; V14-F82 HydrophobicContact CB-CZ 3.71Å; V14-F82 HydrophobicContact CG1-CD1 3.41Å; V14-F82 VanDerWaalsContact CG1-CD1 3.41Å; V14-F82 HydrophobicContact CG1-CD2 4.36Å; V14-F82 HydrophobicContact CG1-CE1 3.03Å; V14-F82 HydrophobicContact CG1-CE2 3.99Å; V14-F82 HydrophobicContact CG1-CG 4.08Å; V14-F82 HydrophobicContact CG1-CZ 3.31Å; V14-F82 HydrophobicContact CG2-CD1 4.35Å; V14-F82 HydrophobicContact CG2-CE1 3.21Å; V14-F82 HydrophobicContact CG2-CE2 4.49Å; V14-F82 HydrophobicContact CG2-CZ 3.26Å |
| 15 | Y | 69.9 | Low | 81.4 | Confident | 111 Ų | 111 | 85.9 Ų | 85.9 | 44% | 0.435 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 134.9 | 167.7 | -81.6 | -70 | 0 | 0 | 0 | 111.8 | Q25 R80 E83 Y84 | Y15-Q25 PolarHBondContact O-NE2 3.22Å; Y15-R80 PolarHBondContact O-NH2 3.4Å; Y15-E83 WeakPolarHBondContact CE2-O 3.44Å; Y15-Y84 AromaticContact CD2-CD2 3.91Å; Y15-Y84 HydrophobicContact CD2-CD2 3.91Å; Y15-Y84 AromaticContact CD2-CE2 3.51Å; Y15-Y84 HydrophobicContact CD2-CE2 3.51Å; Y15-Y84 HydrophobicContact CE1-CE2 4.34Å; Y15-Y84 WeakPolarHBondContact CE1-OH 3.43Å; Y15-Y84 HydrophobicContact CE2-CD1 4.07Å; Y15-Y84 AromaticContact CE2-CD2 3.34Å; Y15-Y84 HydrophobicContact CE2-CD2 3.34Å; Y15-Y84 AromaticContact CE2-CE1 3.69Å; Y15-Y84 HydrophobicContact CE2-CE1 3.69Å; Y15-Y84 AromaticContact CE2-CE2 2.87Å; Y15-Y84 HydrophobicContact CE2-CE2 2.87Å; Y15-Y84 AromaticContact CE2-CG 3.92Å; Y15-Y84 HydrophobicContact CE2-CG 3.92Å; Y15-Y84 AromaticContact CE2-CZ 3.08Å; Y15-Y84 WeakPolarHBondContact CE2-OH 3.39Å; Y15-Y84 HydrophobicContact CG-CE2 4.48Å; Y15-Y84 AromaticContact CZ-CE1 3.6Å; Y15-Y84 AromaticContact CZ-CE2 3.41Å; Y15-Y84 VanDerWaalsContact CZ-CE2 3.41Å; Y15-Y84 AromaticContact CZ-CZ 3.05Å; Y15-Y84 WeakPolarHBondContact OH-CE1 3.23Å; Y15-Y84 PolarHBondContact OH-OH 3.34Å |
| 16 | G | 64.9 | Low | 81.6 | Confident | 15 Ų | 15 | 81.1 Ų | 81.1 | 16% | 0.155 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 4.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | V14 R21 V23 | V14-G16 PolarHBondContact O-N 3.13Å; G16-R21 VanDerWaalsContact O-O 3.05Å; G16-V23 PolarHBondContact O-N 3.17Å |
| 17 | T | 66.4 | Low | 81.9 | Confident | 51 Ų | 51 | 80.3 Ų | 80.3 | 31% | 0.313 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -25.7 | 167 | 62.7 | 0 | 0 | 0 | 0 | 112.8 | V14 Q25 | V14-T17 HydrophobicContact CB-CG2 4.1Å; V14-T17 HydrophobicContact CG2-CG2 4.34Å; V14-T17 PolarHBondContact O-N 3.17Å; V14-T17 PolarHBondContact O-OG1 3.42Å; T17-Q25 HydrophobicContact CG2-CG 4.42Å |
| 18 | T | 66.2 | Low | 82.3 | Confident | 110 Ų | 110 | 80 Ų | 80 | 68% | 0.675 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -104.8 | 4.2 | -177.5 | 60.3 | 0 | 0 | 0 | 0 | 113.6 | A13 | A13-T18 HydrophobicContact CB-CG2 3.35Š|
| 19 | T | 68.2 | Low | 82.6 | Confident | 90 Ų | 90 | 74 Ų | 74 | 55% | 0.552 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -85.7 | 168.8 | 173.2 | -48.1 | 0 | 0 | 0 | 0 | 108.9 | R21 | T19-R21 PolarHBondContact O-N 3.49Š|
| 20 | Q | 79.5 | Confident | 83.1 | Confident | 208 Ų | 208 | 73.3 Ų | 73.3 | 97% | 0.972 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -48.8 | -23.5 | -179.6 | -66.4 | 174.4 | -9.1 | 0 | 0 | 115.3 | ||
| 21 | R | 85 | Confident | 83.6 | Confident | 194 Ų | 194 | 68.4 Ų | 68.4 | 73% | 0.732 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -121.1 | 138.2 | 176.3 | 68.1 | -173.4 | -177.2 | -161.2 | 0.7 | 111.2 | G16 T19 V23 | G16-R21 VanDerWaalsContact O-O 3.05Å; T19-R21 PolarHBondContact O-N 3.49Å; R21-V23 HydrophobicContact CG-CG2 4.34Å |
| 22 | F | 87.1 | Confident | 83.9 | Confident | 153 Ų | 153 | 67.3 Ų | 67.3 | 67% | 0.671 | 33% | 0.331 | S | S | * | . | trans | -75.4 | 133.2 | 169.3 | 172.3 | -103.9 | 0 | 0 | 0 | 110.2 | P24 | F22-P24 HydrophobicContact CE1-CG 4.02Š| ||
| 23 | V | 85.9 | Confident | 84.4 | Confident | 37 Ų | 37 | 62.9 Ų | 62.9 | 22% | 0.224 | 32% | 0.315 | C | S | . | . | trans | -119.8 | 124.1 | 172.1 | -172.8 | 0 | 0 | 0 | 0 | 109.7 | G16 R21 Q25 R80 | G16-V23 PolarHBondContact O-N 3.17Å; R21-V23 HydrophobicContact CG-CG2 4.34Å; V23-Q25 PolarHBondContact O-NE2 2.94Å; V23-R80 VanDerWaalsContact CG1-NH1 3.31Å | ||
| 24 | P | 88.6 | Confident | 85.1 | Confident | 53 Ų | 53 | 60.6 Ų | 60.6 | 34% | 0.344 | 30% | 0.297 | S | S | . | . | trans | -56.6 | 138 | 172.5 | -24.2 | 33.7 | 0 | 0 | 0 | 111.4 | F22 A60 | F22-P24 HydrophobicContact CE1-CG 4.02Å; P24-A60 HydrophobicContact CB-CB 4.49Å; P24-A60 HydrophobicContact CG-CB 4.19Å | ||
| 25 | Q | 89.7 | Confident | 85.8 | Confident | 8 Ų | 8 | 67.2 Ų | 67.2 | 4% | 0.037 | 33% | 0.325 | C | S | . | . | trans | -93.4 | -25.6 | -177.1 | -56.8 | -58.7 | -29.2 | 0 | 0 | 112.8 | V14 Y15 T17 V23 Q27 Y79 R80 | V14-Q25 HydrophobicContact CB-CG 4.47Å; V14-Q25 VanDerWaalsContact CG1-CD 3.49Å; V14-Q25 HydrophobicContact CG1-CG 4.27Å; V14-Q25 VanDerWaalsContact CG1-OE1 3.24Å; V14-Q25 HydrophobicContact CG2-CG 4.24Å; Y15-Q25 PolarHBondContact O-NE2 3.22Å; T17-Q25 HydrophobicContact CG2-CG 4.42Å; V23-Q25 PolarHBondContact O-NE2 2.94Å; Q25-Q27 PolarHBondContact O-N 2.86Å; Q25-Y79 HydrophobicContact CB-CD1 4.27Å; Q25-Y79 CarbonylContact O-C 3.55Å; Q25-Y79 WeakPolarHBondContact O-CA 3.38Å; Q25-R80 PolarHBondContact O-N 2.85Å | ||
| 26 | L | 92.3 | Very high | 86.9 | Confident | 3 Ų | 3 | 70.3 Ų | 70.3 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 118.1 | 172.9 | -176.7 | 65.8 | 0 | 0 | 0 | 109 | T61 A77 Y79 R119 | L26-T61 HydrophobicContact CD2-CG2 3.79Å; L26-T61 HydrophobicContact CG-CG2 3.85Å; L26-T61 PolarHBondContact O-OG1 2.96Å; L26-A77 HydrophobicContact CD1-CB 3.64Å; L26-Y79 HydrophobicContact CB-CD1 4.45Å; L26-Y79 HydrophobicContact CB-CE1 4.26Å; L26-Y79 HydrophobicContact CD1-CD1 4.46Å; L26-Y79 HydrophobicContact CD1-CE1 4.11Å; L26-R119 HydrophobicContact CD2-CB 4.26Å |
| 27 | Q | 91.8 | Very high | 88.2 | Confident | 88 Ų | 88 | 72.7 Ų | 72.7 | 41% | 0.411 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | -46.3 | -179.8 | -172.1 | -175.7 | -3.4 | 0 | 0 | 111 | Q25 A62 E78 | Q25-Q27 PolarHBondContact O-N 2.86Å; Q27-A62 PolarHBondContact O-N 3.09Å; Q27-E78 PolarHBondContact N-O 2.9Å |
| 28 | R | 94.8 | Very high | 89.6 | Confident | 68 Ų | 68 | 79.7 Ų | 79.7 | 26% | 0.257 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 142 | -178.2 | -54.3 | -171.1 | -80.4 | -135.1 | -5.5 | 110.8 | A62 Y64 E78 | R28-A62 CarbonylContact C-O 3.57Å; R28-A62 VanDerWaalsContact CA-O 3.23Å; R28-A62 WeakPolarHBondContact CA-O 3.18Å; R28-A62 HydrophobicContact CG-CB 4.2Å; R28-Y64 HydrophobicContact CG-CE2 4.45Å; R28-E78 HydrophobicContact CB-CB 4.22Å; R28-E78 IonicContact CZ-OE2 3.1Å; R28-E78 PolarHBondContact N-O 3.21Å; R28-E78 IonicContact NE-OE2 2.72Å; R28-E78 PolarHBondContact NE-OE2 3.39Å; R28-E78 IonicContact NH2-OE2 2.66Å; R28-E78 PolarHBondContact NH2-OE2 3.23Å; R28-E78 PolarHBondContact O-N 2.72Å |
| 29 | I | 95.7 | Very high | 90.9 | Very high | 3 Ų | 3 | 76 Ų | 76 | 2% | 0.015 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 127.3 | 167.1 | -166.8 | 169.2 | 0 | 0 | 0 | 109.2 | L31 T61 A62 I63 Y64 V76 I115 L118 | I29-L31 HydrophobicContact CD1-CD2 4.48Å; I29-L31 HydrophobicContact CG1-CD2 4.41Å; I29-T61 HydrophobicContact CG2-CG2 4.12Å; I29-A62 PolarHBondContact N-O 3.32Å; I29-I63 HydrophobicContact CG2-CB 4.17Å; I29-I63 HydrophobicContact CG2-CG1 3.73Å; I29-I63 HydrophobicContact CG2-CG2 4.11Å; I29-I63 WeakPolarHBondContact O-CA 3.43Å; I29-Y64 PolarHBondContact O-N 3.47Å; I29-V76 CarbonylContact C-O 3.52Å; I29-V76 WeakPolarHBondContact CA-O 3.31Å; I29-I115 HydrophobicContact CD1-CG1 4.01Å; I29-I115 HydrophobicContact CD1-CG2 4.12Å; I29-L118 HydrophobicContact CD1-CD1 4.27Å |
| 30 | T | 96.8 | Very high | 92.2 | Very high | 7 Ų | 7 | 71.7 Ų | 71.7 | 4% | 0.043 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 115.2 | 176.5 | -56.4 | 0 | 0 | 0 | 0 | 109.7 | K32 Y64 K66 V76 | T30-K32 HydrophobicContact CG2-CG 4.01Å; T30-Y64 CarbonylContact C-O 3.55Å; T30-Y64 VanDerWaalsContact CA-O 3.31Å; T30-Y64 WeakPolarHBondContact CA-O 3.45Å; T30-K66 HydrophobicContact CG2-CB 4.19Å; T30-K66 HydrophobicContact CG2-CD 3.75Å; T30-K66 HydrophobicContact CG2-CG 3.84Å; T30-V76 PolarHBondContact N-O 2.66Å; T30-V76 PolarHBondContact O-N 3.09Å |
| 31 | L | 96.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 113 | 171.9 | -53.6 | -177.5 | 0 | 0 | 0 | 108.6 | I29 Y46 I47 L51 Y64 V65 K66 L75 I115 | I29-L31 HydrophobicContact CD1-CD2 4.48Å; I29-L31 HydrophobicContact CG1-CD2 4.41Å; L31-Y46 HydrophobicContact CD1-CD1 4.47Å; L31-I47 HydrophobicContact CD1-CD1 4.38Å; L31-I47 HydrophobicContact CD1-CG1 3.85Å; L31-L51 HydrophobicContact CD1-CD1 3.47Å; L31-L51 VanDerWaalsContact CD1-CD1 3.47Å; L31-L51 HydrophobicContact CD1-CD2 4.35Å; L31-Y64 PolarHBondContact N-O 3.36Å; L31-V65 HydrophobicContact CD1-CG2 4.47Å; L31-K66 PolarHBondContact O-N 2.91Å; L31-L75 HydrophobicContact CD2-CD2 3.27Å; L31-I115 HydrophobicContact CD2-CD1 4.12Å |
| 32 | K | 96.4 | Very high | 93.5 | Very high | 48 Ų | 48 | 57.1 Ų | 57.1 | 21% | 0.209 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 117.1 | 174.2 | -65 | 171.1 | -178.7 | 176.8 | 0 | 108.3 | T30 K66 R68 P73 L74 V76 | T30-K32 HydrophobicContact CG2-CG 4.01Å; K32-K66 WeakPolarHBondContact CA-O 3.37Å; K32-K66 HydrophobicContact CG-CB 4.17Å; K32-R68 HydrophobicContact CB-CG 4.42Å; K32-P73 CarbonylContact O-C 3.55Å; K32-P73 WeakPolarHBondContact O-CA 3.31Å; K32-L74 HydrophobicContact CB-CB 4.24Å; K32-L74 WeakPolarHBondContact CB-O 3.48Å; K32-L74 HydrophobicContact CD-CB 4.48Å; K32-L74 HydrophobicContact CD-CD2 4.24Å; K32-L74 PolarHBondContact N-O 3.37Å; K32-L74 PolarHBondContact O-N 2.91Å; K32-V76 HydrophobicContact CD-CG2 4.2Å |
| 33 | C | 95.2 | Very high | 94 | Very high | 11 Ų | 11 | 49.9 Ų | 49.9 | 7% | 0.074 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 157.8 | -179.8 | 60.6 | 0 | 0 | 0 | 0 | 111.4 | V43 I47 K66 P67 R68 | C33-V43 HydrophobicContact CB-CB 4.3Å; C33-V43 HydrophobicContact CB-CG1 3.79Å; C33-I47 VanDerWaalsContact SG-CD1 3.59Å; C33-K66 PolarHBondContact N-O 2.93Å; C33-P67 CarbonylContact O-C 3.49Å; C33-P67 WeakPolarHBondContact O-CA 3.45Å; C33-R68 PolarHBondContact O-N 2.89Å |
| 34 | C | 95.2 | Very high | 94.4 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 3% | 0.027 | 23% | 0.228 | C | C | . | . | trans | -100.8 | 140.3 | 173.1 | -171.2 | 0 | 0 | 0 | 0 | 110.7 | F36 R37 S40 R68 N70 | C34-F36 VanDerWaalsContact C-N 3.33Å; C34-F36 PolarHBondContact O-N 3.12Å; C34-R37 HydrophobicContact CB-CB 4.05Å; C34-R37 HydrophobicContact CB-CG 3.98Å; C34-S40 PolarHBondContact N-OG 3.24Å; C34-R68 WeakPolarHBondContact CA-O 3.34Å; C34-R68 VanDerWaalsContact CB-O 3.25Å; C34-R68 WeakPolarHBondContact CB-O 3.15Å; C34-R68 PolarHBondContact SG-O 2.81Å; C34-N70 PolarHBondContact SG-N 2.79Å | ||
| 35 | K | 94.5 | Very high | 94.9 | Very high | 148 Ų | 148 | 51.5 Ų | 51.5 | 64% | 0.643 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -63.2 | -35.8 | 178.9 | -173.1 | 175 | -179.6 | 178.3 | 0 | 113.2 | R44 | K35-R44 PolarHBondContact O-NH1 3.09Å; K35-R44 VanDerWaalsContact O-NH1 3.08Å |
| 36 | F | 93.1 | Very high | 95.2 | Very high | 176 Ų | 176 | 51.5 Ų | 51.5 | 77% | 0.772 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -107.8 | -18.5 | -167.8 | -57.4 | -70 | 0 | 0 | 0 | 114.8 | C34 | C34-F36 VanDerWaalsContact C-N 3.33Å; C34-F36 PolarHBondContact O-N 3.12Å |
| 37 | R | 93.7 | Very high | 95.4 | Very high | 65 Ų | 65 | 53.2 Ų | 53.2 | 25% | 0.245 | 23% | 0.233 | C | C | . | . | trans | -74.8 | 133.2 | -176.3 | -71.9 | -179.2 | 67.3 | 129.5 | -1.3 | 110.8 | C34 D39 S40 N70 R71 | C34-R37 HydrophobicContact CB-CB 4.05Å; C34-R37 HydrophobicContact CB-CG 3.98Å; R37-D39 VanDerWaalsContact C-N 3.28Å; R37-D39 IonicContact CZ-OD2 3.64Å; R37-D39 IonicContact NE-OD2 3.69Å; R37-D39 IonicContact NH2-OD2 2.74Å; R37-D39 PolarHBondContact NH2-OD2 3.08Å; R37-D39 PolarHBondContact O-N 2.95Å; R37-S40 PolarHBondContact O-N 3.37Å; R37-N70 PolarHBondContact NH1-O 2.87Å; R37-N70 PolarHBondContact NH1-OD1 2.81Å; R37-R71 WeakPolarHBondContact CD-O 3.25Å | ||
| 38 | R | 94.2 | Very high | 95.6 | Very high | 197 Ų | 197 | 55.9 Ų | 55.9 | 74% | 0.743 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -58 | -41.4 | 171.9 | -175.7 | -179.3 | -71.2 | -96.8 | 3.5 | 111.5 | S40 Q41 | R38-S40 PolarHBondContact O-N 3.45Å; R38-Q41 WeakPolarHBondContact O-CB 3.2Å; R38-Q41 PolarHBondContact O-N 2.82Å |
| 39 | D | 94.4 | Very high | 95.7 | Very high | 32 Ų | 32 | 57.5 Ų | 57.5 | 17% | 0.171 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -59.6 | -17.4 | -179.3 | -40.3 | 7.8 | 0 | 0 | 0 | 114.1 | R37 P73 K104 D105 | R37-D39 VanDerWaalsContact C-N 3.28Å; R37-D39 IonicContact CZ-OD2 3.64Å; R37-D39 IonicContact NE-OD2 3.69Å; R37-D39 IonicContact NH2-OD2 2.74Å; R37-D39 PolarHBondContact NH2-OD2 3.08Å; R37-D39 PolarHBondContact O-N 2.95Å; D39-P73 WeakPolarHBondContact O-CG 3.29Å; D39-K104 HydrophobicContact CB-CG 3.8Å; D39-K104 WeakPolarHBondContact OD2-CE 3.45Å; D39-D105 WeakPolarHBondContact CA-OD1 3.16Å; D39-D105 VanDerWaalsContact CB-OD1 3.23Å; D39-D105 WeakPolarHBondContact CB-OD1 3.06Å; D39-D105 PolarHBondContact O-N 2.96Å; D39-D105 VanDerWaalsContact O-N 3.17Å |
| 40 | S | 94.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -99.2 | 8.6 | 177.5 | -58 | 0 | 0 | 0 | 0 | 113.2 | C34 R37 R38 V43 R44 P73 | C34-S40 PolarHBondContact N-OG 3.24Å; R37-S40 PolarHBondContact O-N 3.37Å; R38-S40 PolarHBondContact O-N 3.45Å; S40-V43 PolarHBondContact O-N 3.34Å; S40-R44 WeakPolarHBondContact O-CG 3.38Å; S40-R44 PolarHBondContact O-N 3.37Å; S40-R44 VanDerWaalsContact O-N 3.12Å; S40-P73 WeakPolarHBondContact OG-CD 3.44Å |
| 41 | Q | 95.8 | Very high | 95.8 | Very high | 91 Ų | 91 | 62.2 Ų | 62.2 | 43% | 0.425 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.8 | -55.8 | -177.2 | -178.2 | 170.5 | 1.8 | 0 | 0 | 111.6 | R38 V43 R44 D45 | R38-Q41 WeakPolarHBondContact O-CB 3.2Å; R38-Q41 PolarHBondContact O-N 2.82Å; Q41-V43 PolarHBondContact O-N 3.37Å; Q41-V43 VanDerWaalsContact O-N 3.09Å; Q41-R44 WeakPolarHBondContact O-CA 3.38Å; Q41-R44 WeakPolarHBondContact O-CB 3.46Å; Q41-R44 PolarHBondContact O-N 2.96Å; Q41-D45 VanDerWaalsContact O-CG 3.25Å; Q41-D45 PolarHBondContact O-N 3.31Å |
| 42 | G | 96.4 | Very high | 95.7 | Very high | 6 Ų | 6 | 66 Ų | 66 | 6% | 0.062 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.4 | -31.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | Y46 M106 I111 | G42-Y46 WeakPolarHBondContact O-CB 3.45Å; G42-Y46 PolarHBondContact O-N 2.96Å; G42-M106 WeakPolarHBondContact CA-O 3.37Å; G42-I111 WeakPolarHBondContact O-CD1 3.49Å |
| 43 | V | 97 | Very high | 95.8 | Very high | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.1 | -35.3 | 176.1 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | C33 S40 Q41 I47 P73 A103 I111 | C33-V43 HydrophobicContact CB-CB 4.3Å; C33-V43 HydrophobicContact CB-CG1 3.79Å; S40-V43 PolarHBondContact O-N 3.34Å; Q41-V43 PolarHBondContact O-N 3.37Å; Q41-V43 VanDerWaalsContact O-N 3.09Å; V43-I47 HydrophobicContact CG1-CD1 3.95Å; V43-I47 WeakPolarHBondContact O-CB 3.12Å; V43-I47 WeakPolarHBondContact O-CD1 3.27Å; V43-I47 WeakPolarHBondContact O-CG1 3.46Å; V43-I47 PolarHBondContact O-N 3.01Å; V43-P73 HydrophobicContact CB-CB 4.46Å; V43-P73 HydrophobicContact CG2-CB 3.81Å; V43-P73 HydrophobicContact CG2-CG 4.37Å; V43-A103 HydrophobicContact CG2-CB 3.87Å; V43-I111 HydrophobicContact CB-CD1 4.19Å; V43-I111 HydrophobicContact CG2-CD1 3.45Å; V43-I111 VanDerWaalsContact CG2-CD1 3.45Å; V43-I111 HydrophobicContact CG2-CG1 4.25Å |
| 44 | R | 96.3 | Very high | 95.8 | Very high | 74 Ų | 74 | 67.9 Ų | 67.9 | 28% | 0.279 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.7 | -46.3 | 174 | -70.9 | -176.8 | -70.2 | 153.5 | -1.9 | 110.7 | K35 S40 Q41 Y46 I47 E48 | K35-R44 PolarHBondContact O-NH1 3.09Å; K35-R44 VanDerWaalsContact O-NH1 3.08Å; S40-R44 WeakPolarHBondContact O-CG 3.38Å; S40-R44 PolarHBondContact O-N 3.37Å; S40-R44 VanDerWaalsContact O-N 3.12Å; Q41-R44 WeakPolarHBondContact O-CA 3.38Å; Q41-R44 WeakPolarHBondContact O-CB 3.46Å; Q41-R44 PolarHBondContact O-N 2.96Å; R44-Y46 VanDerWaalsContact C-N 3.26Å; R44-Y46 PolarHBondContact O-N 2.95Å; R44-I47 WeakPolarHBondContact O-CA 3.4Å; R44-I47 WeakPolarHBondContact O-CB 3.45Å; R44-I47 PolarHBondContact O-N 3.01Å; R44-E48 WeakPolarHBondContact O-CG 3.14Å; R44-E48 PolarHBondContact O-N 2.99Å |
| 45 | D | 97 | Very high | 95.9 | Very high | 50 Ų | 50 | 69.6 Ų | 69.6 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.3 | -39.8 | 177.7 | -55.1 | -11.7 | 0 | 0 | 0 | 110.8 | Q41 E48 N49 C108 | Q41-D45 VanDerWaalsContact O-CG 3.25Å; Q41-D45 PolarHBondContact O-N 3.31Å; D45-E48 PolarHBondContact O-N 3.46Å; D45-N49 WeakPolarHBondContact O-CB 3.36Å; D45-N49 PolarHBondContact O-N 2.92Å; D45-N49 PolarHBondContact O-ND2 3.01Å; D45-C108 HydrophobicContact CB-CB 4.17Å |
| 46 | Y | 97.4 | Very high | 96.1 | Very high | 8 Ų | 8 | 70.9 Ų | 70.9 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66 | -41 | 173.5 | -177.6 | -89.3 | 0 | 0 | 0 | 112.9 | L31 G42 R44 E48 H50 L51 I111 A112 I115 | L31-Y46 HydrophobicContact CD1-CD1 4.47Å; G42-Y46 WeakPolarHBondContact O-CB 3.45Å; G42-Y46 PolarHBondContact O-N 2.96Å; R44-Y46 VanDerWaalsContact C-N 3.26Å; R44-Y46 PolarHBondContact O-N 2.95Å; Y46-E48 VanDerWaalsContact C-N 3.3Å; Y46-E48 PolarHBondContact O-N 3.47Å; Y46-H50 HydrophobicContact CD2-CB 3.79Å; Y46-H50 AromaticContact CD2-CD2 3.97Å; Y46-H50 HydrophobicContact CE2-CB 3.55Å; Y46-H50 HydrophobicContact CG-CB 4.42Å; Y46-H50 PolarHBondContact O-N 2.93Å; Y46-L51 HydrophobicContact CE1-CB 4.49Å; Y46-L51 HydrophobicContact CE1-CD1 4.02Å; Y46-L51 PolarHBondContact O-N 2.9Å; Y46-L51 VanDerWaalsContact O-N 3.09Å; Y46-I111 HydrophobicContact CD1-CG2 4.23Å; Y46-I111 HydrophobicContact CD2-CG2 4.14Å; Y46-I111 HydrophobicContact CG-CG2 3.83Å; Y46-A112 HydrophobicContact CD2-CB 3.99Å; Y46-A112 HydrophobicContact CE2-CB 3.65Å; Y46-I115 HydrophobicContact CD1-CD1 3.68Å; Y46-I115 HydrophobicContact CE1-CD1 3.14Å; Y46-I115 HydrophobicContact CE2-CD1 4.08Å; Y46-I115 HydrophobicContact CG-CD1 4.34Å |
| 47 | I | 96.9 | Very high | 96.2 | Very high | 38 Ų | 38 | 68.4 Ų | 68.4 | 20% | 0.195 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 177 | -72.8 | 162.6 | 0 | 0 | 0 | 111 | L31 C33 V43 R44 L51 V65 | L31-I47 HydrophobicContact CD1-CD1 4.38Å; L31-I47 HydrophobicContact CD1-CG1 3.85Å; C33-I47 VanDerWaalsContact SG-CD1 3.59Å; V43-I47 HydrophobicContact CG1-CD1 3.95Å; V43-I47 WeakPolarHBondContact O-CB 3.12Å; V43-I47 WeakPolarHBondContact O-CD1 3.27Å; V43-I47 WeakPolarHBondContact O-CG1 3.46Å; V43-I47 PolarHBondContact O-N 3.01Å; R44-I47 WeakPolarHBondContact O-CA 3.4Å; R44-I47 WeakPolarHBondContact O-CB 3.45Å; R44-I47 PolarHBondContact O-N 3.01Å; I47-L51 HydrophobicContact CB-CD2 4.4Å; I47-L51 HydrophobicContact CG1-CD2 4.23Å; I47-L51 HydrophobicContact CG2-CD2 4.02Å; I47-L51 WeakPolarHBondContact O-CB 3.35Å; I47-V65 HydrophobicContact CD1-CG1 3.92Å |
| 48 | E | 96.1 | Very high | 96.3 | Very high | 144 Ų | 144 | 66.4 Ų | 66.4 | 67% | 0.673 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -73.4 | -43.5 | -178.5 | -70.4 | 173.5 | -167.5 | 0 | 0 | 112.1 | R44 D45 Y46 | R44-E48 WeakPolarHBondContact O-CG 3.14Å; R44-E48 PolarHBondContact O-N 2.99Å; D45-E48 PolarHBondContact O-N 3.46Å; Y46-E48 VanDerWaalsContact C-N 3.3Å; Y46-E48 PolarHBondContact O-N 3.47Å |
| 49 | N | 96.7 | Very high | 96.4 | Very high | 102 Ų | 102 | 62.7 Ų | 62.7 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -96.3 | -34.8 | -169.6 | -63.2 | -47.4 | 0 | 0 | 0 | 115.2 | D45 | D45-N49 WeakPolarHBondContact O-CB 3.36Å; D45-N49 PolarHBondContact O-N 2.92Å; D45-N49 PolarHBondContact O-ND2 3.01Å |
| 50 | H | 96.7 | Very high | 96.3 | Very high | 86 Ų | 86 | 64.3 Ų | 64.3 | 40% | 0.398 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | -17.6 | -165.5 | -62.1 | -57.9 | 0 | 0 | 0 | 115.1 | Y46 V52 D53 F54 C108 | Y46-H50 HydrophobicContact CD2-CB 3.79Å; Y46-H50 AromaticContact CD2-CD2 3.97Å; Y46-H50 HydrophobicContact CE2-CB 3.55Å; Y46-H50 HydrophobicContact CG-CB 4.42Å; Y46-H50 PolarHBondContact O-N 2.93Å; H50-V52 VanDerWaalsContact C-N 3.34Å; H50-V52 PolarHBondContact O-N 2.79Å; H50-D53 PolarHBondContact O-N 3.07Å; H50-F54 WeakPolarHBondContact O-CB 3.39Å; H50-F54 PolarHBondContact O-N 3.31Å; H50-C108 VanDerWaalsContact CD2-SG 3.53Å |
| 51 | L | 96.4 | Very high | 96.2 | Very high | 23 Ų | 23 | 64.9 Ų | 64.9 | 12% | 0.12 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.2 | -41 | -172.5 | -173.1 | 67.4 | 0 | 0 | 0 | 113.3 | L31 Y46 I47 A55 I63 V65 | L31-L51 HydrophobicContact CD1-CD1 3.47Å; L31-L51 VanDerWaalsContact CD1-CD1 3.47Å; L31-L51 HydrophobicContact CD1-CD2 4.35Å; Y46-L51 HydrophobicContact CE1-CB 4.49Å; Y46-L51 HydrophobicContact CE1-CD1 4.02Å; Y46-L51 PolarHBondContact O-N 2.9Å; Y46-L51 VanDerWaalsContact O-N 3.09Å; I47-L51 HydrophobicContact CB-CD2 4.4Å; I47-L51 HydrophobicContact CG1-CD2 4.23Å; I47-L51 HydrophobicContact CG2-CD2 4.02Å; I47-L51 WeakPolarHBondContact O-CB 3.35Å; L51-A55 WeakPolarHBondContact O-CB 3.46Å; L51-A55 PolarHBondContact O-N 3.35Å; L51-I63 HydrophobicContact CD1-CD1 4.47Å; L51-I63 HydrophobicContact CD1-CG2 3.63Å; L51-I63 HydrophobicContact CD2-CG2 4.46Å; L51-I63 HydrophobicContact CG-CG2 4.28Å; L51-V65 HydrophobicContact CD2-CG2 3.58Å |
| 52 | V | 96.5 | Very high | 96.2 | Very high | 81 Ų | 81 | 62.4 Ų | 62.4 | 49% | 0.491 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.8 | -42.1 | -177.4 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | H50 A55 R56 | H50-V52 VanDerWaalsContact C-N 3.34Å; H50-V52 PolarHBondContact O-N 2.79Å; V52-A55 WeakPolarHBondContact O-CB 3.43Å; V52-A55 PolarHBondContact O-N 2.9Å; V52-R56 WeakPolarHBondContact O-CG 3.32Å; V52-R56 PolarHBondContact O-N 2.96Å |
| 53 | D | 97 | Very high | 96.2 | Very high | 77 Ų | 77 | 64.1 Ų | 64.1 | 41% | 0.412 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.8 | -43 | 178.2 | -62.3 | -30.8 | 0 | 0 | 0 | 111 | H50 A55 R56 D57 | H50-D53 PolarHBondContact O-N 3.07Å; D53-A55 PolarHBondContact O-N 2.83Å; D53-R56 WeakPolarHBondContact O-CB 3.5Å; D53-R56 PolarHBondContact O-N 3.28Å; D53-R56 VanDerWaalsContact O-N 3.08Å; D53-R56 IonicContact OD1-NH1 3.03Å; D53-R56 PolarHBondContact OD1-NH1 3.35Å; D53-D57 PolarHBondContact O-N 3.39Å |
| 54 | F | 96.9 | Very high | 96.2 | Very high | 22 Ų | 22 | 69.4 Ų | 69.4 | 10% | 0.096 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.3 | -36.7 | 173 | 178 | -93.7 | 0 | 0 | 0 | 112.7 | H50 N58 I63 I115 R119 | H50-F54 WeakPolarHBondContact O-CB 3.39Å; H50-F54 PolarHBondContact O-N 3.31Å; F54-N58 WeakPolarHBondContact CE2-ND2 3.37Å; F54-N58 WeakPolarHBondContact O-CB 3.38Å; F54-N58 PolarHBondContact O-N 2.88Å; F54-N58 PolarHBondContact O-ND2 3.25Å; F54-I63 HydrophobicContact CD1-CD1 3.52Å; F54-I63 HydrophobicContact CE1-CD1 3.84Å; F54-I63 HydrophobicContact CE1-CG1 4.46Å; F54-I115 HydrophobicContact CD1-CG2 4.32Å; F54-I115 HydrophobicContact CD2-CG2 3.95Å; F54-I115 HydrophobicContact CE1-CG2 3.94Å; F54-I115 HydrophobicContact CE2-CG2 3.5Å; F54-I115 VanDerWaalsContact CE2-CG2 3.5Å; F54-I115 HydrophobicContact CG-CG2 4.34Å; F54-I115 HydrophobicContact CZ-CG2 3.5Å; F54-R119 HydrophobicContact CE2-CB 4.41Å; F54-R119 HydrophobicContact CZ-CB 4.39Å |
| 55 | A | 96.9 | Very high | 96.2 | Very high | 41 Ų | 41 | 69 Ų | 69 | 34% | 0.339 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.9 | -39.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L51 V52 D53 N58 I63 | L51-A55 WeakPolarHBondContact O-CB 3.46Å; L51-A55 PolarHBondContact O-N 3.35Å; V52-A55 WeakPolarHBondContact O-CB 3.43Å; V52-A55 PolarHBondContact O-N 2.9Å; D53-A55 PolarHBondContact O-N 2.83Å; A55-N58 CarbonylContact O-C 3.59Å; A55-N58 PolarHBondContact O-N 3.21Å; A55-I63 HydrophobicContact CB-CD1 3.62Å |
| 56 | R | 97.1 | Very high | 96.2 | Very high | 175 Ų | 175 | 71.9 Ų | 71.9 | 66% | 0.66 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.9 | -41.9 | 176.9 | -71.8 | 170.6 | 176.9 | 155.4 | -5.5 | 111.6 | V52 D53 N58 | V52-R56 WeakPolarHBondContact O-CG 3.32Å; V52-R56 PolarHBondContact O-N 2.96Å; D53-R56 WeakPolarHBondContact O-CB 3.5Å; D53-R56 PolarHBondContact O-N 3.28Å; D53-R56 VanDerWaalsContact O-N 3.08Å; D53-R56 IonicContact OD1-NH1 3.03Å; D53-R56 PolarHBondContact OD1-NH1 3.35Å; R56-N58 VanDerWaalsContact C-N 3.28Å; R56-N58 PolarHBondContact O-N 2.87Å |
| 57 | D | 96.6 | Very high | 96.1 | Very high | 124 Ų | 124 | 76.6 Ų | 76.6 | 66% | 0.663 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -68.7 | -27.3 | 179.5 | -68.9 | -17.1 | 0 | 0 | 0 | 112.9 | D53 P59 | D53-D57 PolarHBondContact O-N 3.39Å; D57-P59 VanDerWaalsContact C-CD 3.46Å; D57-P59 WeakPolarHBondContact O-CD 3.47Å |
| 58 | N | 95.6 | Very high | 96 | Very high | 22 Ų | 22 | 78.9 Ų | 78.9 | 12% | 0.118 | 42% | 0.419 | C | S | . | . | trans | -126.1 | 67 | -172 | -57.5 | -77.6 | 0 | 0 | 0 | 112 | F54 A55 R56 A60 T61 R119 | F54-N58 WeakPolarHBondContact CE2-ND2 3.37Å; F54-N58 WeakPolarHBondContact O-CB 3.38Å; F54-N58 PolarHBondContact O-N 2.88Å; F54-N58 PolarHBondContact O-ND2 3.25Å; A55-N58 CarbonylContact O-C 3.59Å; A55-N58 PolarHBondContact O-N 3.21Å; R56-N58 VanDerWaalsContact C-N 3.28Å; R56-N58 PolarHBondContact O-N 2.87Å; N58-A60 PolarHBondContact O-N 3.47Å; N58-T61 PolarHBondContact O-N 3.28Å; N58-R119 WeakPolarHBondContact OD1-CD 3.31Å; N58-R119 PolarHBondContact OD1-NH1 3.3Å | ||
| 59 | P | 95.7 | Very high | 95.9 | Very high | 119 Ų | 119 | 83.2 Ų | 83.2 | 77% | 0.773 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.1 | -175.8 | 26.4 | -35.9 | 0 | 0 | 0 | 113.6 | D57 T61 | D57-P59 VanDerWaalsContact C-CD 3.46Å; D57-P59 WeakPolarHBondContact O-CD 3.47Å; P59-T61 VanDerWaalsContact C-N 3.33Å |
| 60 | A | 92.3 | Very high | 95.6 | Very high | 66 Ų | 66 | 84 Ų | 84 | 55% | 0.545 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -16.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P24 N58 | P24-A60 HydrophobicContact CB-CB 4.49Å; P24-A60 HydrophobicContact CG-CB 4.19Å; N58-A60 PolarHBondContact O-N 3.47Å |
| 61 | T | 94 | Very high | 95.5 | Very high | 13 Ų | 13 | 87 Ų | 87 | 8% | 0.08 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -102 | 123.6 | -176.6 | -61.1 | 0 | 0 | 0 | 0 | 110.7 | L26 I29 N58 P59 I63 | L26-T61 HydrophobicContact CD2-CG2 3.79Å; L26-T61 HydrophobicContact CG-CG2 3.85Å; L26-T61 PolarHBondContact O-OG1 2.96Å; I29-T61 HydrophobicContact CG2-CG2 4.12Å; N58-T61 PolarHBondContact O-N 3.28Å; P59-T61 VanDerWaalsContact C-N 3.33Å; T61-I63 HydrophobicContact CG2-CG1 4.49Å |
| 62 | A | 94.8 | Very high | 95.4 | Very high | 39 Ų | 39 | 88.6 Ų | 88.6 | 32% | 0.322 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 128.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q27 R28 I29 Y64 | Q27-A62 PolarHBondContact O-N 3.09Å; R28-A62 CarbonylContact C-O 3.57Å; R28-A62 VanDerWaalsContact CA-O 3.23Å; R28-A62 WeakPolarHBondContact CA-O 3.18Å; R28-A62 HydrophobicContact CG-CB 4.2Å; I29-A62 PolarHBondContact N-O 3.32Å; A62-Y64 HydrophobicContact CB-CE2 3.97Å |
| 63 | I | 96.9 | Very high | 95.3 | Very high | 42 Ų | 42 | 84.9 Ų | 84.9 | 22% | 0.215 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 126.6 | -175.9 | -56.8 | 176.4 | 0 | 0 | 0 | 109.1 | I29 L51 F54 A55 T61 | I29-I63 HydrophobicContact CG2-CB 4.17Å; I29-I63 HydrophobicContact CG2-CG1 3.73Å; I29-I63 HydrophobicContact CG2-CG2 4.11Å; I29-I63 WeakPolarHBondContact O-CA 3.43Å; L51-I63 HydrophobicContact CD1-CD1 4.47Å; L51-I63 HydrophobicContact CD1-CG2 3.63Å; L51-I63 HydrophobicContact CD2-CG2 4.46Å; L51-I63 HydrophobicContact CG-CG2 4.28Å; F54-I63 HydrophobicContact CD1-CD1 3.52Å; F54-I63 HydrophobicContact CE1-CD1 3.84Å; F54-I63 HydrophobicContact CE1-CG1 4.46Å; A55-I63 HydrophobicContact CB-CD1 3.62Å; T61-I63 HydrophobicContact CG2-CG1 4.49Å |
| 64 | Y | 97 | Very high | 95.3 | Very high | 112 Ų | 112 | 82.8 Ų | 82.8 | 44% | 0.439 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 132.2 | 176.4 | -66.4 | -83.1 | 0 | 0 | 0 | 110.6 | R28 I29 T30 L31 A62 | R28-Y64 HydrophobicContact CG-CE2 4.45Å; I29-Y64 PolarHBondContact O-N 3.47Å; T30-Y64 CarbonylContact C-O 3.55Å; T30-Y64 VanDerWaalsContact CA-O 3.31Å; T30-Y64 WeakPolarHBondContact CA-O 3.45Å; L31-Y64 PolarHBondContact N-O 3.36Å; A62-Y64 HydrophobicContact CB-CE2 3.97Å |
| 65 | V | 96.7 | Very high | 95.3 | Very high | 66 Ų | 66 | 81.8 Ų | 81.8 | 40% | 0.4 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 115.9 | 168.6 | -177.5 | 0 | 0 | 0 | 0 | 108 | L31 I47 L51 | L31-V65 HydrophobicContact CD1-CG2 4.47Å; I47-V65 HydrophobicContact CD1-CG1 3.92Å; L51-V65 HydrophobicContact CD2-CG2 3.58Å |
| 66 | K | 96.1 | Very high | 95.3 | Very high | 109 Ų | 109 | 79.9 Ų | 79.9 | 47% | 0.474 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 100.2 | 179.5 | -70.6 | -169.3 | -177.2 | 178.9 | 0 | 109.7 | T30 L31 K32 C33 R68 | T30-K66 HydrophobicContact CG2-CB 4.19Å; T30-K66 HydrophobicContact CG2-CD 3.75Å; T30-K66 HydrophobicContact CG2-CG 3.84Å; L31-K66 PolarHBondContact O-N 2.91Å; K32-K66 WeakPolarHBondContact CA-O 3.37Å; K32-K66 HydrophobicContact CG-CB 4.17Å; C33-K66 PolarHBondContact N-O 2.93Å; K66-R68 PolarHBondContact O-N 2.87Å |
| 67 | P | 95.4 | Very high | 95.2 | Very high | 108 Ų | 108 | 71.5 Ų | 71.5 | 70% | 0.701 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 137.1 | 174.5 | 27.3 | -33.4 | 0 | 0 | 0 | 110.2 | C33 | C33-P67 CarbonylContact O-C 3.49Å; C33-P67 WeakPolarHBondContact O-CA 3.45Å |
| 68 | R | 94.3 | Very high | 95 | Very high | 86 Ų | 86 | 66.4 Ų | 66.4 | 33% | 0.325 | 34% | 0.339 | S | S | . | . | trans | -127.1 | 138.3 | 176.8 | -65.6 | 179.1 | 72.2 | -162.8 | 6 | 110.4 | K32 C33 C34 K66 R71 | K32-R68 HydrophobicContact CB-CG 4.42Å; C33-R68 PolarHBondContact O-N 2.89Å; C34-R68 WeakPolarHBondContact CA-O 3.34Å; C34-R68 VanDerWaalsContact CB-O 3.25Å; C34-R68 WeakPolarHBondContact CB-O 3.15Å; C34-R68 PolarHBondContact SG-O 2.81Å; K66-R68 PolarHBondContact O-N 2.87Å; R68-R71 HydrophobicContact CB-CB 4.21Å | ||
| 69 | R | 93.6 | Very high | 94.8 | Very high | 234 Ų | 234 | 65.5 Ų | 65.5 | 88% | 0.883 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 130.2 | 176 | -65.3 | -175.9 | 180 | 176.7 | 0.1 | 110.4 | R71 | R69-R71 VanDerWaalsContact C-N 3.28Å; R69-R71 WeakPolarHBondContact O-CG 3.49Å; R69-R71 PolarHBondContact O-N 2.85Å; R69-R71 VanDerWaalsContact O-N 3.13Å |
| 70 | N | 91.8 | Very high | 94.1 | Very high | 120 Ų | 120 | 63.9 Ų | 63.9 | 64% | 0.642 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 39.9 | 173.9 | -163.2 | 20.3 | 0 | 0 | 0 | 115.8 | C34 R37 | C34-N70 PolarHBondContact SG-N 2.79Å; R37-N70 PolarHBondContact NH1-O 2.87Å; R37-N70 PolarHBondContact NH1-OD1 2.81Å |
| 71 | R | 93.8 | Very high | 92.9 | Very high | 147 Ų | 147 | 65.3 Ų | 65.3 | 56% | 0.555 | 30% | 0.304 | S | S | * | . | trans | -125.6 | 146.6 | 176.5 | -67.4 | -66.9 | -173.7 | 151.6 | 1.1 | 110.4 | R37 R68 R69 | R37-R71 WeakPolarHBondContact CD-O 3.25Å; R68-R71 HydrophobicContact CB-CB 4.21Å; R69-R71 VanDerWaalsContact C-N 3.28Å; R69-R71 WeakPolarHBondContact O-CG 3.49Å; R69-R71 PolarHBondContact O-N 2.85Å; R69-R71 VanDerWaalsContact O-N 3.13Å | ||
| 72 | P | 93.7 | Very high | 91.2 | Very high | 57 Ų | 57 | 66 Ų | 66 | 37% | 0.37 | 31% | 0.306 | S | S | . | . | trans | -63.4 | 155.5 | 175.7 | 28.8 | -35.5 | 0 | 0 | 0 | 110.6 | ||||
| 73 | P | 96.3 | Very high | 89.3 | Confident | 3 Ų | 3 | 71.6 Ų | 71.6 | 2% | 0.019 | 33% | 0.325 | C | S | . | . | trans | -70.1 | 146.7 | -179.2 | 31.9 | -36.5 | 0 | 0 | 0 | 111.6 | K32 D39 S40 V43 A103 | K32-P73 CarbonylContact O-C 3.55Å; K32-P73 WeakPolarHBondContact O-CA 3.31Å; D39-P73 WeakPolarHBondContact O-CG 3.29Å; S40-P73 WeakPolarHBondContact OG-CD 3.44Å; V43-P73 HydrophobicContact CB-CB 4.46Å; V43-P73 HydrophobicContact CG2-CB 3.81Å; V43-P73 HydrophobicContact CG2-CG 4.37Å; P73-A103 HydrophobicContact CB-CB 4.3Å; P73-A103 VanDerWaalsContact CG-C 3.47Å; P73-A103 HydrophobicContact CG-CB 4.25Å; P73-A103 WeakPolarHBondContact CG-O 3.25Å; P73-A103 PolarHBondContact O-N 3.27Å | ||
| 74 | L | 96.7 | Very high | 87.2 | Confident | 34 Ų | 34 | 76.1 Ų | 76.1 | 18% | 0.178 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 125.5 | -178.2 | -176.2 | 70.5 | 0 | 0 | 0 | 109.8 | K32 V76 Y100 R102 | K32-L74 HydrophobicContact CB-CB 4.24Å; K32-L74 WeakPolarHBondContact CB-O 3.48Å; K32-L74 HydrophobicContact CD-CB 4.48Å; K32-L74 HydrophobicContact CD-CD2 4.24Å; K32-L74 PolarHBondContact N-O 3.37Å; K32-L74 PolarHBondContact O-N 2.91Å; L74-V76 HydrophobicContact CD2-CG2 3.96Å; L74-V76 HydrophobicContact CG-CG2 4.02Å; L74-Y100 HydrophobicContact CD1-CD1 4.36Å; L74-Y100 HydrophobicContact CD2-CD1 4.05Å; L74-Y100 HydrophobicContact CG-CD1 4.42Å; L74-R102 HydrophobicContact CD1-CG 4.48Å |
| 75 | L | 96.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 129.6 | 169.1 | -42.9 | 174.6 | 0 | 0 | 0 | 107.7 | L31 Y100 V101 A103 W114 I115 L118 | L31-L75 HydrophobicContact CD2-CD2 3.27Å; L75-Y100 WeakPolarHBondContact O-CA 3.35Å; L75-V101 HydrophobicContact CB-CB 4.15Å; L75-V101 HydrophobicContact CD1-CB 4.18Å; L75-V101 HydrophobicContact CD1-CG1 4.26Å; L75-V101 HydrophobicContact CG-CB 4.41Å; L75-V101 PolarHBondContact N-O 2.7Å; L75-V101 PolarHBondContact O-N 3.03Å; L75-A103 HydrophobicContact CD1-CB 4.3Å; L75-A103 HydrophobicContact CD2-CB 4.39Å; L75-A103 HydrophobicContact CG-CB 4.03Å; L75-W114 HydrophobicContact CD1-CB 4.3Å; L75-I115 HydrophobicContact CD1-CG1 4.27Å; L75-L118 HydrophobicContact CB-CD1 4.36Å |
| 76 | V | 95.7 | Very high | 82 | Confident | 1 Ų | 1 | 85.5 Ų | 85.5 | 1% | 0.006 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 110.7 | 175.7 | -172.8 | 0 | 0 | 0 | 0 | 108 | I29 T30 K32 L74 W98 Y100 | I29-V76 CarbonylContact C-O 3.52Å; I29-V76 WeakPolarHBondContact CA-O 3.31Å; T30-V76 PolarHBondContact N-O 2.66Å; T30-V76 PolarHBondContact O-N 3.09Å; K32-V76 HydrophobicContact CD-CG2 4.2Å; L74-V76 HydrophobicContact CD2-CG2 3.96Å; L74-V76 HydrophobicContact CG-CG2 4.02Å; V76-W98 HydrophobicContact CG1-CD2 4.48Å; V76-W98 HydrophobicContact CG1-CE3 3.74Å; V76-W98 HydrophobicContact CG1-CZ3 4.35Å; V76-Y100 HydrophobicContact CG1-CD1 4.21Å; V76-Y100 HydrophobicContact CG1-CE1 3.92Å; V76-Y100 HydrophobicContact CG2-CD1 3.87Å; V76-Y100 HydrophobicContact CG2-CE1 3.97Å |
| 77 | A | 95.3 | Very high | 79.4 | Confident | 0 Ų | 0 | 86.5 Ų | 86.5 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 130.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | L26 Y79 W98 Q99 L118 | L26-A77 HydrophobicContact CD1-CB 3.64Å; A77-Y79 HydrophobicContact CB-CE2 4.01Å; A77-W98 CarbonylContact O-C 3.49Å; A77-W98 WeakPolarHBondContact O-CA 3.45Å; A77-Q99 HydrophobicContact CB-CB 4.41Å; A77-Q99 PolarHBondContact N-O 3.11Å; A77-Q99 PolarHBondContact O-N 3.29Å; A77-L118 HydrophobicContact CB-CB 4.19Å; A77-L118 HydrophobicContact CB-CD1 4.05Å; A77-L118 HydrophobicContact CB-CD2 3.86Å; A77-L118 HydrophobicContact CB-CG 4.24Å |
| 78 | E | 93.1 | Very high | 76.8 | Confident | 17 Ų | 17 | 87.6 Ų | 87.6 | 8% | 0.079 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123 | 174 | -62.8 | 177.6 | -159.3 | 0 | 0 | 108.7 | Q27 R28 W98 | Q27-E78 PolarHBondContact N-O 2.9Å; R28-E78 HydrophobicContact CB-CB 4.22Å; R28-E78 IonicContact CZ-OE2 3.1Å; R28-E78 PolarHBondContact N-O 3.21Å; R28-E78 IonicContact NE-OE2 2.72Å; R28-E78 PolarHBondContact NE-OE2 3.39Å; R28-E78 IonicContact NH2-OE2 2.66Å; R28-E78 PolarHBondContact NH2-OE2 3.23Å; R28-E78 PolarHBondContact O-N 2.72Å; E78-W98 HydrophobicContact CG-CD2 4.22Å; E78-W98 HydrophobicContact CG-CG 4.31Å |
| 79 | Y | 90.9 | Very high | 74.4 | Confident | 2 Ų | 2 | 88 Ų | 88 | 1% | 0.008 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 151.5 | 178.3 | -63.9 | -84.7 | 0 | 0 | 0 | 110.8 | Q25 L26 A77 G96 N97 Q99 L118 R121 | Q25-Y79 HydrophobicContact CB-CD1 4.27Å; Q25-Y79 CarbonylContact O-C 3.55Å; Q25-Y79 WeakPolarHBondContact O-CA 3.38Å; L26-Y79 HydrophobicContact CB-CD1 4.45Å; L26-Y79 HydrophobicContact CB-CE1 4.26Å; L26-Y79 HydrophobicContact CD1-CD1 4.46Å; L26-Y79 HydrophobicContact CD1-CE1 4.11Å; A77-Y79 HydrophobicContact CB-CE2 4.01Å; Y79-G96 WeakPolarHBondContact O-CA 3.42Å; Y79-N97 PolarHBondContact N-O 2.9Å; Y79-N97 VanDerWaalsContact N-O 3.09Å; Y79-Q99 HydrophobicContact CE2-CB 3.89Å; Y79-L118 VanDerWaalsContact CE1-O 3.3Å; Y79-L118 WeakPolarHBondContact CE1-O 3.1Å; Y79-L118 WeakPolarHBondContact OH-CA 3.37Å; Y79-L118 PolarHBondContact OH-O 2.96Å; Y79-R121 HydrophobicContact CE1-CB 4.05Å; Y79-R121 VanDerWaalsContact CE1-O 3.3Å; Y79-R121 WeakPolarHBondContact CE1-O 3.35Å |
| 80 | R | 81 | Confident | 72.1 | Confident | 86 Ų | 86 | 83.8 Ų | 83.8 | 33% | 0.325 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 141.3 | 172.4 | -174.2 | 173 | 57.8 | 173.6 | -4.9 | 110.3 | Y15 V23 Q25 | Y15-R80 PolarHBondContact O-NH2 3.4Å; V23-R80 VanDerWaalsContact CG1-NH1 3.31Å; Q25-R80 PolarHBondContact O-N 2.85Å |
| 81 | R | 67.1 | Low | 69.9 | Low | 96 Ų | 96 | 85.1 Ų | 85.1 | 36% | 0.362 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 135.2 | 178.5 | -173 | 176.9 | 175.2 | 126.7 | -3.4 | 110.8 | V92 L93 | R81-V92 PolarHBondContact NH1-O 2.84Å; R81-L93 VanDerWaalsContact NH1-CA 3.33Å |
| 82 | F | 58.9 | Low | 67.4 | Low | 27 Ų | 27 | 81.8 Ų | 81.8 | 12% | 0.118 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -82 | 120.4 | 169.3 | -67.3 | -112.8 | 0 | 0 | 0 | 108.8 | Y12 V14 Y84 S122 V124 | Y12-F82 AromaticContact CE2-CD1 3.76Å; Y12-F82 HydrophobicContact CE2-CD1 3.76Å; Y12-F82 AromaticContact CE2-CE1 3.72Å; Y12-F82 HydrophobicContact CE2-CE1 3.72Å; V14-F82 VanDerWaalsContact CA-CE1 3.45Å; V14-F82 HydrophobicContact CB-CD1 4Å; V14-F82 HydrophobicContact CB-CE1 3.27Å; V14-F82 HydrophobicContact CB-CZ 3.71Å; V14-F82 HydrophobicContact CG1-CD1 3.41Å; V14-F82 VanDerWaalsContact CG1-CD1 3.41Å; V14-F82 HydrophobicContact CG1-CD2 4.36Å; V14-F82 HydrophobicContact CG1-CE1 3.03Å; V14-F82 HydrophobicContact CG1-CE2 3.99Å; V14-F82 HydrophobicContact CG1-CG 4.08Å; V14-F82 HydrophobicContact CG1-CZ 3.31Å; V14-F82 HydrophobicContact CG2-CD1 4.35Å; V14-F82 HydrophobicContact CG2-CE1 3.21Å; V14-F82 HydrophobicContact CG2-CE2 4.49Å; V14-F82 HydrophobicContact CG2-CZ 3.26Å; F82-Y84 PolarHBondContact O-N 3.23Å; F82-Y84 VanDerWaalsContact O-N 3.07Å; F82-S122 VanDerWaalsContact CE2-O 3.28Å; F82-S122 WeakPolarHBondContact CE2-O 3.44Å; F82-S122 VanDerWaalsContact CZ-O 3.26Å; F82-S122 WeakPolarHBondContact CZ-O 3.38Å; F82-V124 HydrophobicContact CE1-CG2 3.69Å; F82-V124 HydrophobicContact CE2-CG2 4.19Å; F82-V124 HydrophobicContact CZ-CG2 3.36Å |
| 83 | E | 55 | Low | 64.8 | Low | 157 Ų | 157 | 83.5 Ų | 83.5 | 73% | 0.734 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -80.3 | 84.1 | 175.6 | -169.9 | 176.3 | 179.6 | 0 | 0 | 111.2 | Y15 | Y15-E83 WeakPolarHBondContact CE2-O 3.44Š|
| 84 | Y | 51.5 | Low | 62.4 | Low | 137 Ų | 137 | 88.6 Ų | 88.6 | 54% | 0.537 | 42% | 0.424 | S | S | . | . | trans | -142.5 | 13.5 | 164.6 | -79.7 | -66.9 | 0 | 0 | 0 | 114.5 | Y15 F82 | Y15-Y84 AromaticContact CD2-CD2 3.91Å; Y15-Y84 HydrophobicContact CD2-CD2 3.91Å; Y15-Y84 AromaticContact CD2-CE2 3.51Å; Y15-Y84 HydrophobicContact CD2-CE2 3.51Å; Y15-Y84 HydrophobicContact CE1-CE2 4.34Å; Y15-Y84 WeakPolarHBondContact CE1-OH 3.43Å; Y15-Y84 HydrophobicContact CE2-CD1 4.07Å; Y15-Y84 AromaticContact CE2-CD2 3.34Å; Y15-Y84 HydrophobicContact CE2-CD2 3.34Å; Y15-Y84 AromaticContact CE2-CE1 3.69Å; Y15-Y84 HydrophobicContact CE2-CE1 3.69Å; Y15-Y84 AromaticContact CE2-CE2 2.87Å; Y15-Y84 HydrophobicContact CE2-CE2 2.87Å; Y15-Y84 AromaticContact CE2-CG 3.92Å; Y15-Y84 HydrophobicContact CE2-CG 3.92Å; Y15-Y84 AromaticContact CE2-CZ 3.08Å; Y15-Y84 WeakPolarHBondContact CE2-OH 3.39Å; Y15-Y84 HydrophobicContact CG-CE2 4.48Å; Y15-Y84 AromaticContact CZ-CE1 3.6Å; Y15-Y84 AromaticContact CZ-CE2 3.41Å; Y15-Y84 VanDerWaalsContact CZ-CE2 3.41Å; Y15-Y84 AromaticContact CZ-CZ 3.05Å; Y15-Y84 WeakPolarHBondContact OH-CE1 3.23Å; Y15-Y84 PolarHBondContact OH-OH 3.34Å; F82-Y84 PolarHBondContact O-N 3.23Å; F82-Y84 VanDerWaalsContact O-N 3.07Å | ||
| 85 | L | 41.7 | Very low | 60 | Low | 131 Ų | 131 | 89.3 Ų | 89.3 | 69% | 0.686 | 43% | 0.431 | S | S | * | . | trans | -133 | 94.3 | 173 | -148.8 | 82.8 | 0 | 0 | 0 | 110.1 | I87 | L85-I87 PolarHBondContact O-N 3.25Š| ||
| 86 | R | 43.9 | Very low | 58.3 | Low | 244 Ų | 244 | 90.1 Ų | 90.1 | 92% | 0.921 | 44% | 0.439 | S | S | * | . | trans | -84.2 | 18.3 | -179.1 | -156.7 | 169.8 | 88 | 145.7 | -0 | 113.5 | ||||
| 87 | I | 41.6 | Very low | 57.5 | Low | 130 Ų | 130 | 93.1 Ų | 93.1 | 67% | 0.667 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -139.3 | 122.6 | -175.7 | -60.8 | 175.8 | 0 | 0 | 0 | 108.8 | L85 | L85-I87 PolarHBondContact O-N 3.25Š|
| 88 | I | 41.4 | Very low | 57.2 | Low | 131 Ų | 131 | 98.1 Ų | 98.1 | 67% | 0.672 | 47% | 0.474 | S | S | * | . | S | Bend | trans | 98.1 | 105.5 | 172.8 | -62.3 | 159.1 | 0 | 0 | 0 | 117.9 | ||
| 89 | I | 42.1 | Very low | 57.1 | Low | 94 Ų | 94 | 98.8 Ų | 98.8 | 48% | 0.482 | 48% | 0.477 | S | S | . | . | trans | 84.3 | 106.4 | 151.3 | -61.3 | 162.4 | 0 | 0 | 0 | 119.9 | I91 V92 L93 | I89-I91 HydrophobicContact CG2-CB 3.64Å; I89-I91 HydrophobicContact CG2-CD1 4.44Å; I89-I91 HydrophobicContact CG2-CG1 4.07Å; I89-I91 PolarHBondContact O-N 3.34Å; I89-V92 HydrophobicContact CB-CG2 4.26Å; I89-V92 HydrophobicContact CG2-CB 4.41Å; I89-V92 HydrophobicContact CG2-CG2 3.91Å; I89-V92 PolarHBondContact O-N 2.95Å; I89-L93 WeakPolarHBondContact O-CG 3.47Å; I89-L93 PolarHBondContact O-N 3.13Å | ||
| 90 | I | 45.1 | Very low | 57.3 | Low | 146 Ų | 146 | 105 Ų | 105 | 75% | 0.749 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -20.7 | 170.4 | -69.8 | 167.1 | 0 | 0 | 0 | 113.9 | L93 | I90-L93 HydrophobicContact CB-CD1 4.34Å; I90-L93 HydrophobicContact CG1-CD1 3.96Å |
| 91 | I | 46.6 | Very low | 58 | Low | 147 Ų | 147 | 101.4 Ų | 101.4 | 75% | 0.754 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -23.9 | 179.2 | -50.1 | 170 | 0 | 0 | 0 | 111.7 | I89 | I89-I91 HydrophobicContact CG2-CB 3.64Å; I89-I91 HydrophobicContact CG2-CD1 4.44Å; I89-I91 HydrophobicContact CG2-CG1 4.07Å; I89-I91 PolarHBondContact O-N 3.34Å |
| 92 | V | 41.6 | Very low | 59.3 | Low | 78 Ų | 78 | 106.9 Ų | 106.9 | 47% | 0.473 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -12.6 | 174.5 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | R81 I89 V94 C95 | R81-V92 PolarHBondContact NH1-O 2.84Å; I89-V92 HydrophobicContact CB-CG2 4.26Å; I89-V92 HydrophobicContact CG2-CB 4.41Å; I89-V92 HydrophobicContact CG2-CG2 3.91Å; I89-V92 PolarHBondContact O-N 2.95Å; V92-V94 PolarHBondContact O-N 3.48Å; V92-C95 PolarHBondContact O-N 2.85Å |
| 93 | L | 39.5 | Very low | 60.9 | Low | 92 Ų | 92 | 105.7 Ų | 105.7 | 48% | 0.482 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -24.1 | -178.6 | -70.1 | -177.4 | 0 | 0 | 0 | 114.4 | R81 I89 I90 | R81-L93 VanDerWaalsContact NH1-CA 3.33Å; I89-L93 WeakPolarHBondContact O-CG 3.47Å; I89-L93 PolarHBondContact O-N 3.13Å; I90-L93 HydrophobicContact CB-CD1 4.34Å; I90-L93 HydrophobicContact CG1-CD1 3.96Å |
| 94 | V | 44.7 | Very low | 62.8 | Low | 110 Ų | 110 | 103.3 Ų | 103.3 | 67% | 0.667 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -22.2 | -176 | -173.6 | 0 | 0 | 0 | 0 | 112.9 | V92 | V92-V94 PolarHBondContact O-N 3.48Š|
| 95 | C | 45.7 | Very low | 64.8 | Low | 50 Ų | 50 | 101.3 Ų | 101.3 | 34% | 0.338 | 49% | 0.491 | S | S | . | . | trans | -110.1 | 113.2 | -169.7 | -64.6 | 0 | 0 | 0 | 0 | 109.6 | V92 W98 | V92-C95 PolarHBondContact O-N 2.85Å; C95-W98 HydrophobicContact CB-CZ2 4.17Å | ||
| 96 | G | 61.7 | Low | 67.4 | Low | 16 Ų | 16 | 97 Ų | 97 | 17% | 0.165 | 47% | 0.468 | C | S | . | . | trans | -68.3 | -162.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y79 W98 | Y79-G96 WeakPolarHBondContact O-CA 3.42Å; G96-W98 PolarHBondContact O-NE1 3.39Å | ||
| 97 | N | 79.3 | Confident | 69.9 | Low | 65 Ų | 65 | 88.9 Ų | 88.9 | 35% | 0.348 | 45% | 0.445 | S | S | . | . | trans | -75.3 | 134.8 | 171.9 | -75.4 | -20.2 | 0 | 0 | 0 | 109.9 | Y79 G123 | Y79-N97 PolarHBondContact N-O 2.9Å; Y79-N97 VanDerWaalsContact N-O 3.09Å; N97-G123 VanDerWaalsContact CB-O 3.3Å; N97-G123 WeakPolarHBondContact CB-O 3.49Å; N97-G123 PolarHBondContact ND2-O 3.2Å | ||
| 98 | W | 88.9 | Confident | 72.5 | Confident | 105 Ų | 105 | 83.7 Ų | 83.7 | 40% | 0.398 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.4 | -177.8 | -63.5 | 29 | 0 | 0 | 0 | 108.3 | V76 A77 E78 C95 G96 Y100 | V76-W98 HydrophobicContact CG1-CD2 4.48Å; V76-W98 HydrophobicContact CG1-CE3 3.74Å; V76-W98 HydrophobicContact CG1-CZ3 4.35Å; A77-W98 CarbonylContact O-C 3.49Å; A77-W98 WeakPolarHBondContact O-CA 3.45Å; E78-W98 HydrophobicContact CG-CD2 4.22Å; E78-W98 HydrophobicContact CG-CG 4.31Å; C95-W98 HydrophobicContact CB-CZ2 4.17Å; G96-W98 PolarHBondContact O-NE1 3.39Å; W98-Y100 HydrophobicContact CB-CD2 4.46Å; W98-Y100 HydrophobicContact CB-CE2 3.77Å; W98-Y100 HydrophobicContact CE3-CE1 4.13Å; W98-Y100 AromaticContact CE3-CZ 3.67Å |
| 99 | Q | 91.8 | Very high | 75.1 | Confident | 30 Ų | 30 | 84.7 Ų | 84.7 | 14% | 0.14 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 125.4 | 170.7 | -169.8 | 169.5 | -8.8 | 0 | 0 | 109.2 | A77 Y79 L118 | A77-Q99 HydrophobicContact CB-CB 4.41Å; A77-Q99 PolarHBondContact N-O 3.11Å; A77-Q99 PolarHBondContact O-N 3.29Å; Y79-Q99 HydrophobicContact CE2-CB 3.89Å; Q99-L118 HydrophobicContact CB-CD2 4.08Å; Q99-L118 HydrophobicContact CG-CD2 3.84Å |
| 100 | Y | 94 | Very high | 77.8 | Confident | 132 Ų | 132 | 84.4 Ų | 84.4 | 52% | 0.518 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.4 | 179.7 | -62.3 | -85.8 | 0 | 0 | 0 | 109.1 | L74 L75 V76 W98 | L74-Y100 HydrophobicContact CD1-CD1 4.36Å; L74-Y100 HydrophobicContact CD2-CD1 4.05Å; L74-Y100 HydrophobicContact CG-CD1 4.42Å; L75-Y100 WeakPolarHBondContact O-CA 3.35Å; V76-Y100 HydrophobicContact CG1-CD1 4.21Å; V76-Y100 HydrophobicContact CG1-CE1 3.92Å; V76-Y100 HydrophobicContact CG2-CD1 3.87Å; V76-Y100 HydrophobicContact CG2-CE1 3.97Å; W98-Y100 HydrophobicContact CB-CD2 4.46Å; W98-Y100 HydrophobicContact CB-CE2 3.77Å; W98-Y100 HydrophobicContact CE3-CE1 4.13Å; W98-Y100 AromaticContact CE3-CZ 3.67Å |
| 101 | V | 95.2 | Very high | 80.2 | Confident | 11 Ų | 11 | 77.4 Ų | 77.4 | 7% | 0.067 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 118.4 | 172.1 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | L75 A103 W114 L118 | L75-V101 HydrophobicContact CB-CB 4.15Å; L75-V101 HydrophobicContact CD1-CB 4.18Å; L75-V101 HydrophobicContact CD1-CG1 4.26Å; L75-V101 HydrophobicContact CG-CB 4.41Å; L75-V101 PolarHBondContact N-O 2.7Å; L75-V101 PolarHBondContact O-N 3.03Å; V101-A103 PolarHBondContact O-N 2.89Å; V101-W114 HydrophobicContact CG1-CD2 3.9Å; V101-W114 HydrophobicContact CG1-CE3 4.12Å; V101-W114 HydrophobicContact CG1-CG 4.09Å; V101-W114 HydrophobicContact CG2-CE3 4.16Å; V101-L118 HydrophobicContact CG2-CD1 4.03Å; V101-L118 HydrophobicContact CG2-CD2 4.09Å; V101-L118 HydrophobicContact CG2-CG 4.39Å |
| 102 | R | 95.1 | Very high | 82.6 | Confident | 212 Ų | 212 | 71.8 Ų | 71.8 | 80% | 0.8 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 105.8 | 173.9 | -66.3 | -168.5 | -66 | -154.8 | -0.1 | 108 | L74 K104 M106 | L74-R102 HydrophobicContact CD1-CG 4.48Å; R102-K104 VanDerWaalsContact C-N 3.27Å; R102-K104 PolarHBondContact O-N 3.35Å; R102-M106 WeakPolarHBondContact O-CE 3.3Å |
| 103 | A | 93 | Very high | 85.3 | Confident | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.008 | 36% | 0.364 | C | S | . | . | trans | -93.5 | 32.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V43 P73 L75 V101 M106 | V43-A103 HydrophobicContact CG2-CB 3.87Å; P73-A103 HydrophobicContact CB-CB 4.3Å; P73-A103 VanDerWaalsContact CG-C 3.47Å; P73-A103 HydrophobicContact CG-CB 4.25Å; P73-A103 WeakPolarHBondContact CG-O 3.25Å; P73-A103 PolarHBondContact O-N 3.27Å; L75-A103 HydrophobicContact CD1-CB 4.3Å; L75-A103 HydrophobicContact CD2-CB 4.39Å; L75-A103 HydrophobicContact CG-CB 4.03Å; V101-A103 PolarHBondContact O-N 2.89Å; A103-M106 HydrophobicContact CB-SD 4.13Å | ||
| 104 | K | 94.1 | Very high | 88 | Confident | 108 Ų | 108 | 73.8 Ų | 73.8 | 47% | 0.47 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 128.3 | -173.6 | -168.3 | -156.2 | 174.8 | -145.7 | 0 | 109.3 | D39 R102 M106 | D39-K104 HydrophobicContact CB-CG 3.8Å; D39-K104 WeakPolarHBondContact OD2-CE 3.45Å; R102-K104 VanDerWaalsContact C-N 3.27Å; R102-K104 PolarHBondContact O-N 3.35Å; K104-M106 PolarHBondContact O-N 3.27Å |
| 105 | D | 94.1 | Very high | 90.5 | Very high | 95 Ų | 95 | 68.6 Ų | 68.6 | 51% | 0.508 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 25.6 | 175.2 | -53 | -42 | 0 | 0 | 0 | 113.7 | D39 | D39-D105 WeakPolarHBondContact CA-OD1 3.16Å; D39-D105 VanDerWaalsContact CB-OD1 3.23Å; D39-D105 WeakPolarHBondContact CB-OD1 3.06Å; D39-D105 PolarHBondContact O-N 2.96Å; D39-D105 VanDerWaalsContact O-N 3.17Å |
| 106 | M | 95.7 | Very high | 92.9 | Very high | 41 Ų | 41 | 69.5 Ų | 69.5 | 20% | 0.202 | 33% | 0.33 | C | S | . | . | trans | -88.4 | 149.5 | 176.4 | -69.6 | -178.4 | -178.4 | 0 | 0 | 112 | G42 R102 A103 K104 E110 I111 | G42-M106 WeakPolarHBondContact CA-O 3.37Å; R102-M106 WeakPolarHBondContact O-CE 3.3Å; A103-M106 HydrophobicContact CB-SD 4.13Å; K104-M106 PolarHBondContact O-N 3.27Å; M106-E110 VanDerWaalsContact CA-OE2 3.27Å; M106-E110 WeakPolarHBondContact CA-OE2 3.3Å; M106-E110 HydrophobicContact CB-CB 4.27Å; M106-E110 WeakPolarHBondContact CB-OE2 3.3Å; M106-I111 HydrophobicContact CB-CD1 4.09Å; M106-I111 HydrophobicContact CB-CG1 3.85Å | ||
| 107 | T | 96.6 | Very high | 94.5 | Very high | 72 Ų | 72 | 72.8 Ų | 72.8 | 44% | 0.442 | 34% | 0.339 | S | S | . | . | trans | -75.3 | 163 | 173.1 | 71.4 | 0 | 0 | 0 | 0 | 111.5 | E109 E110 I111 | T107-E109 VanDerWaalsContact C-N 3.27Å; T107-E109 PolarHBondContact O-N 3.18Å; T107-E110 PolarHBondContact N-OE2 2.95Å; T107-E110 PolarHBondContact O-N 3.18Å; T107-E110 VanDerWaalsContact OG1-CG 3.29Å; T107-E110 WeakPolarHBondContact OG1-CG 3.44Å; T107-E110 PolarHBondContact OG1-N 3.44Å; T107-I111 WeakPolarHBondContact O-CD1 3.4Å; T107-I111 VanDerWaalsContact O-CG1 3.32Å; T107-I111 WeakPolarHBondContact O-CG1 3.34Å; T107-I111 PolarHBondContact O-N 2.99Å; T107-I111 VanDerWaalsContact O-N 3.08Å | ||
| 108 | C | 96.5 | Very high | 95.3 | Very high | 22 Ų | 22 | 69.7 Ų | 69.7 | 15% | 0.149 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.6 | -41.1 | 176.9 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | D45 H50 I111 A112 | D45-C108 HydrophobicContact CB-CB 4.17Å; H50-C108 VanDerWaalsContact CD2-SG 3.53Å; C108-I111 PolarHBondContact O-N 3.2Å; C108-A112 PolarHBondContact O-N 3.03Å |
| 109 | E | 96.8 | Very high | 95.5 | Very high | 151 Ų | 151 | 69.3 Ų | 69.3 | 71% | 0.706 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -67.1 | -43 | 178.8 | -63.9 | 177.9 | -176 | 0 | 0 | 112.4 | T107 I111 A112 N113 | T107-E109 VanDerWaalsContact C-N 3.27Å; T107-E109 PolarHBondContact O-N 3.18Å; E109-I111 VanDerWaalsContact C-N 3.27Å; E109-I111 PolarHBondContact O-N 3.06Å; E109-A112 WeakPolarHBondContact O-CB 3.48Å; E109-A112 PolarHBondContact O-N 3.38Å; E109-N113 PolarHBondContact O-N 2.81Å; E109-N113 PolarHBondContact O-ND2 3.22Å |
| 110 | E | 97.3 | Very high | 95.5 | Very high | 88 Ų | 88 | 72.4 Ų | 72.4 | 41% | 0.411 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60 | -41.3 | 175 | -73.8 | 173.4 | 161.3 | 0 | 0 | 111.2 | M106 T107 N113 W114 | M106-E110 VanDerWaalsContact CA-OE2 3.27Å; M106-E110 WeakPolarHBondContact CA-OE2 3.3Å; M106-E110 HydrophobicContact CB-CB 4.27Å; M106-E110 WeakPolarHBondContact CB-OE2 3.3Å; T107-E110 PolarHBondContact N-OE2 2.95Å; T107-E110 PolarHBondContact O-N 3.18Å; T107-E110 VanDerWaalsContact OG1-CG 3.29Å; T107-E110 WeakPolarHBondContact OG1-CG 3.44Å; T107-E110 PolarHBondContact OG1-N 3.44Å; E110-N113 PolarHBondContact O-N 3Å; E110-W114 PolarHBondContact O-N 3.25Å |
| 111 | I | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 177.2 | -68.6 | 159.4 | 0 | 0 | 0 | 110.8 | G42 V43 Y46 M106 T107 C108 E109 N113 W114 I115 | G42-I111 WeakPolarHBondContact O-CD1 3.49Å; V43-I111 HydrophobicContact CB-CD1 4.19Å; V43-I111 HydrophobicContact CG2-CD1 3.45Å; V43-I111 VanDerWaalsContact CG2-CD1 3.45Å; V43-I111 HydrophobicContact CG2-CG1 4.25Å; Y46-I111 HydrophobicContact CD1-CG2 4.23Å; Y46-I111 HydrophobicContact CD2-CG2 4.14Å; Y46-I111 HydrophobicContact CG-CG2 3.83Å; M106-I111 HydrophobicContact CB-CD1 4.09Å; M106-I111 HydrophobicContact CB-CG1 3.85Å; T107-I111 WeakPolarHBondContact O-CD1 3.4Å; T107-I111 VanDerWaalsContact O-CG1 3.32Å; T107-I111 WeakPolarHBondContact O-CG1 3.34Å; T107-I111 PolarHBondContact O-N 2.99Å; T107-I111 VanDerWaalsContact O-N 3.08Å; C108-I111 PolarHBondContact O-N 3.2Å; E109-I111 VanDerWaalsContact C-N 3.27Å; E109-I111 PolarHBondContact O-N 3.06Å; I111-N113 VanDerWaalsContact C-N 3.33Å; I111-N113 PolarHBondContact O-N 2.85Å; I111-W114 PolarHBondContact O-N 3.19Å; I111-I115 HydrophobicContact CG2-CD1 3.77Å; I111-I115 HydrophobicContact CG2-CG1 4.44Å; I111-I115 WeakPolarHBondContact O-CB 3.45Å; I111-I115 VanDerWaalsContact O-CG1 3.31Å; I111-I115 WeakPolarHBondContact O-CG1 3.38Å; I111-I115 PolarHBondContact O-N 2.89Å |
| 112 | A | 96.9 | Very high | 95.1 | Very high | 29 Ų | 29 | 69.6 Ų | 69.6 | 24% | 0.24 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.6 | -44.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y46 C108 E109 I115 N116 | Y46-A112 HydrophobicContact CD2-CB 3.99Å; Y46-A112 HydrophobicContact CE2-CB 3.65Å; C108-A112 PolarHBondContact O-N 3.03Å; E109-A112 WeakPolarHBondContact O-CB 3.48Å; E109-A112 PolarHBondContact O-N 3.38Å; A112-I115 PolarHBondContact O-N 3.37Å; A112-N116 WeakPolarHBondContact O-CB 3.42Å; A112-N116 PolarHBondContact O-N 2.81Å |
| 113 | N | 97.2 | Very high | 94.7 | Very high | 111 Ų | 111 | 59.7 Ų | 59.7 | 59% | 0.594 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.2 | -43.8 | 175.8 | -72.2 | -27.7 | 0 | 0 | 0 | 111.9 | E109 E110 I111 N116 F117 | E109-N113 PolarHBondContact O-N 2.81Å; E109-N113 PolarHBondContact O-ND2 3.22Å; E110-N113 PolarHBondContact O-N 3Å; I111-N113 VanDerWaalsContact C-N 3.33Å; I111-N113 PolarHBondContact O-N 2.85Å; N113-N116 PolarHBondContact O-N 3.29Å; N113-F117 WeakPolarHBondContact O-CB 3.38Å; N113-F117 PolarHBondContact O-N 3.19Å |
| 114 | W | 96.9 | Very high | 94.4 | Very high | 100 Ų | 100 | 60.9 Ų | 60.9 | 38% | 0.379 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 175.3 | -83.1 | 113.5 | 0 | 0 | 0 | 112.6 | L75 V101 E110 I111 F117 L118 | L75-W114 HydrophobicContact CD1-CB 4.3Å; V101-W114 HydrophobicContact CG1-CD2 3.9Å; V101-W114 HydrophobicContact CG1-CE3 4.12Å; V101-W114 HydrophobicContact CG1-CG 4.09Å; V101-W114 HydrophobicContact CG2-CE3 4.16Å; E110-W114 PolarHBondContact O-N 3.25Å; I111-W114 PolarHBondContact O-N 3.19Å; W114-F117 AromaticContact CE3-CD1 3.81Å; W114-F117 HydrophobicContact CE3-CD1 3.81Å; W114-F117 HydrophobicContact CE3-CE1 4.36Å; W114-F117 AromaticContact CZ3-CD1 3.78Å; W114-F117 HydrophobicContact CZ3-CD1 3.78Å; W114-F117 AromaticContact CZ3-CE1 3.87Å; W114-F117 HydrophobicContact CZ3-CE1 3.87Å; W114-F117 WeakPolarHBondContact O-CB 3.41Å; W114-F117 PolarHBondContact O-N 3.12Å; W114-L118 VanDerWaalsContact O-CG 3.25Å; W114-L118 WeakPolarHBondContact O-CG 3.39Å; W114-L118 PolarHBondContact O-N 2.92Å |
| 115 | I | 96.4 | Very high | 94 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 177.7 | -71.2 | 170.4 | 0 | 0 | 0 | 110.6 | I29 L31 Y46 F54 L75 I111 A112 F117 L118 R119 | I29-I115 HydrophobicContact CD1-CG1 4.01Å; I29-I115 HydrophobicContact CD1-CG2 4.12Å; L31-I115 HydrophobicContact CD2-CD1 4.12Å; Y46-I115 HydrophobicContact CD1-CD1 3.68Å; Y46-I115 HydrophobicContact CE1-CD1 3.14Å; Y46-I115 HydrophobicContact CE2-CD1 4.08Å; Y46-I115 HydrophobicContact CG-CD1 4.34Å; F54-I115 HydrophobicContact CD1-CG2 4.32Å; F54-I115 HydrophobicContact CD2-CG2 3.95Å; F54-I115 HydrophobicContact CE1-CG2 3.94Å; F54-I115 HydrophobicContact CE2-CG2 3.5Å; F54-I115 VanDerWaalsContact CE2-CG2 3.5Å; F54-I115 HydrophobicContact CG-CG2 4.34Å; F54-I115 HydrophobicContact CZ-CG2 3.5Å; L75-I115 HydrophobicContact CD1-CG1 4.27Å; I111-I115 HydrophobicContact CG2-CD1 3.77Å; I111-I115 HydrophobicContact CG2-CG1 4.44Å; I111-I115 WeakPolarHBondContact O-CB 3.45Å; I111-I115 VanDerWaalsContact O-CG1 3.31Å; I111-I115 WeakPolarHBondContact O-CG1 3.38Å; I111-I115 PolarHBondContact O-N 2.89Å; A112-I115 PolarHBondContact O-N 3.37Å; I115-F117 VanDerWaalsContact C-N 3.33Å; I115-F117 PolarHBondContact O-N 3.34Å; I115-L118 PolarHBondContact O-N 3.49Å; I115-R119 WeakPolarHBondContact O-CB 3.34Å; I115-R119 PolarHBondContact O-N 3.21Å |
| 116 | N | 95.9 | Very high | 93.7 | Very high | 69 Ų | 69 | 61.2 Ų | 61.2 | 37% | 0.369 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.5 | -38.2 | 174.2 | -170.8 | 28.3 | 0 | 0 | 0 | 112 | A112 N113 R119 T120 | A112-N116 WeakPolarHBondContact O-CB 3.42Å; A112-N116 PolarHBondContact O-N 2.81Å; N113-N116 PolarHBondContact O-N 3.29Å; N116-R119 WeakPolarHBondContact O-CB 3.42Å; N116-R119 PolarHBondContact O-N 3.22Å; N116-R119 PolarHBondContact OD1-NE 3.36Å; N116-R119 VanDerWaalsContact OD1-NE 3.12Å; N116-R119 PolarHBondContact OD1-NH2 2.89Å; N116-T120 WeakPolarHBondContact O-CG2 3.37Å; N116-T120 PolarHBondContact O-N 3.35Å; N116-T120 PolarHBondContact O-OG1 3.44Å |
| 117 | F | 96 | Very high | 93.3 | Very high | 84 Ų | 84 | 63.4 Ų | 63.4 | 37% | 0.368 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.9 | -49.9 | 171.7 | 175.7 | -106.4 | 0 | 0 | 0 | 111.1 | N113 W114 I115 R119 T120 R121 | N113-F117 WeakPolarHBondContact O-CB 3.38Å; N113-F117 PolarHBondContact O-N 3.19Å; W114-F117 AromaticContact CE3-CD1 3.81Å; W114-F117 HydrophobicContact CE3-CD1 3.81Å; W114-F117 HydrophobicContact CE3-CE1 4.36Å; W114-F117 AromaticContact CZ3-CD1 3.78Å; W114-F117 HydrophobicContact CZ3-CD1 3.78Å; W114-F117 AromaticContact CZ3-CE1 3.87Å; W114-F117 HydrophobicContact CZ3-CE1 3.87Å; W114-F117 WeakPolarHBondContact O-CB 3.41Å; W114-F117 PolarHBondContact O-N 3.12Å; I115-F117 VanDerWaalsContact C-N 3.33Å; I115-F117 PolarHBondContact O-N 3.34Å; F117-R119 PolarHBondContact O-N 3Å; F117-T120 PolarHBondContact O-N 3.14Å; F117-T120 PolarHBondContact O-OG1 3.36Å; F117-R121 HydrophobicContact CD2-CG 4.45Å; F117-R121 HydrophobicContact CE1-CG 4.33Å; F117-R121 HydrophobicContact CE2-CG 4.19Å; F117-R121 VanDerWaalsContact CZ-CD 3.48Å; F117-R121 HydrophobicContact CZ-CG 4.16Å; F117-R121 WeakPolarHBondContact O-CG 3.46Å; F117-R121 PolarHBondContact O-N 3.1Å |
| 118 | L | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.7 | -37 | 177.9 | -69.8 | 171.2 | 0 | 0 | 0 | 112 | I29 L75 A77 Y79 Q99 V101 W114 I115 | I29-L118 HydrophobicContact CD1-CD1 4.27Å; L75-L118 HydrophobicContact CB-CD1 4.36Å; A77-L118 HydrophobicContact CB-CB 4.19Å; A77-L118 HydrophobicContact CB-CD1 4.05Å; A77-L118 HydrophobicContact CB-CD2 3.86Å; A77-L118 HydrophobicContact CB-CG 4.24Å; Y79-L118 VanDerWaalsContact CE1-O 3.3Å; Y79-L118 WeakPolarHBondContact CE1-O 3.1Å; Y79-L118 WeakPolarHBondContact OH-CA 3.37Å; Y79-L118 PolarHBondContact OH-O 2.96Å; Q99-L118 HydrophobicContact CB-CD2 4.08Å; Q99-L118 HydrophobicContact CG-CD2 3.84Å; V101-L118 HydrophobicContact CG2-CD1 4.03Å; V101-L118 HydrophobicContact CG2-CD2 4.09Å; V101-L118 HydrophobicContact CG2-CG 4.39Å; W114-L118 VanDerWaalsContact O-CG 3.25Å; W114-L118 WeakPolarHBondContact O-CG 3.39Å; W114-L118 PolarHBondContact O-N 2.92Å; I115-L118 PolarHBondContact O-N 3.49Å |
| 119 | R | 94.1 | Very high | 92.6 | Very high | 97 Ų | 97 | 64.7 Ų | 64.7 | 37% | 0.366 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 175.3 | -177.9 | -171.4 | 68.9 | 121.7 | 0.3 | 113.1 | L26 F54 N58 I115 N116 F117 R121 | L26-R119 HydrophobicContact CD2-CB 4.26Å; F54-R119 HydrophobicContact CE2-CB 4.41Å; F54-R119 HydrophobicContact CZ-CB 4.39Å; N58-R119 WeakPolarHBondContact OD1-CD 3.31Å; N58-R119 PolarHBondContact OD1-NH1 3.3Å; I115-R119 WeakPolarHBondContact O-CB 3.34Å; I115-R119 PolarHBondContact O-N 3.21Å; N116-R119 WeakPolarHBondContact O-CB 3.42Å; N116-R119 PolarHBondContact O-N 3.22Å; N116-R119 PolarHBondContact OD1-NE 3.36Å; N116-R119 VanDerWaalsContact OD1-NE 3.12Å; N116-R119 PolarHBondContact OD1-NH2 2.89Å; F117-R119 PolarHBondContact O-N 3Å; R119-R121 VanDerWaalsContact C-N 3.3Å; R119-R121 PolarHBondContact O-N 2.97Å |
| 120 | T | 92.7 | Very high | 92.3 | Very high | 95 Ų | 95 | 64.2 Ų | 64.2 | 58% | 0.583 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -77.3 | -16.5 | -175.4 | 50.3 | 0 | 0 | 0 | 0 | 113.3 | N116 F117 | N116-T120 WeakPolarHBondContact O-CG2 3.37Å; N116-T120 PolarHBondContact O-N 3.35Å; N116-T120 PolarHBondContact O-OG1 3.44Å; F117-T120 PolarHBondContact O-N 3.14Å; F117-T120 PolarHBondContact O-OG1 3.36Å |
| 121 | R | 91.4 | Very high | 92 | Very high | 48 Ų | 48 | 64.1 Ų | 64.1 | 18% | 0.181 | 32% | 0.317 | C | S | . | . | trans | -76 | 156.2 | 179.6 | -74.1 | -160.2 | 91.5 | -143.4 | -7.6 | 113.9 | Y79 F117 R119 V124 I126 | Y79-R121 HydrophobicContact CE1-CB 4.05Å; Y79-R121 VanDerWaalsContact CE1-O 3.3Å; Y79-R121 WeakPolarHBondContact CE1-O 3.35Å; F117-R121 HydrophobicContact CD2-CG 4.45Å; F117-R121 HydrophobicContact CE1-CG 4.33Å; F117-R121 HydrophobicContact CE2-CG 4.19Å; F117-R121 VanDerWaalsContact CZ-CD 3.48Å; F117-R121 HydrophobicContact CZ-CG 4.16Å; F117-R121 WeakPolarHBondContact O-CG 3.46Å; F117-R121 PolarHBondContact O-N 3.1Å; R119-R121 VanDerWaalsContact C-N 3.3Å; R119-R121 PolarHBondContact O-N 2.97Å; R121-V124 PolarHBondContact NH2-O 3.05Å; R121-I126 VanDerWaalsContact CZ-CG1 3.48Å; R121-I126 VanDerWaalsContact NH1-CG1 3.26Å | ||
| 122 | S | 88.1 | Confident | 91.7 | Very high | 37 Ų | 37 | 73 Ų | 73 | 26% | 0.259 | 35% | 0.351 | S | S | . | . | trans | -83.9 | -20.6 | 176.8 | 50.5 | 0 | 0 | 0 | 0 | 114.7 | F82 V124 | F82-S122 VanDerWaalsContact CE2-O 3.28Å; F82-S122 WeakPolarHBondContact CE2-O 3.44Å; F82-S122 VanDerWaalsContact CZ-O 3.26Å; F82-S122 WeakPolarHBondContact CZ-O 3.38Å; S122-V124 PolarHBondContact OG-N 3.32Å | ||
| 123 | G | 87.5 | Confident | 91.5 | Very high | 4 Ų | 4 | 79.2 Ų | 79.2 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | trans | 84.1 | 5.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115 | N97 | N97-G123 VanDerWaalsContact CB-O 3.3Å; N97-G123 WeakPolarHBondContact CB-O 3.49Å; N97-G123 PolarHBondContact ND2-O 3.2Å | ||
| 124 | V | 85.9 | Confident | 91 | Very high | 26 Ų | 26 | 77.5 Ų | 77.5 | 16% | 0.158 | 37% | 0.365 | C | S | . | . | trans | -68.3 | 142.5 | 170.6 | -176.8 | 0 | 0 | 0 | 0 | 110 | Y12 F82 R121 S122 | Y12-V124 HydrophobicContact CE1-CG1 4.08Å; Y12-V124 HydrophobicContact CE2-CG2 4.28Å; F82-V124 HydrophobicContact CE1-CG2 3.69Å; F82-V124 HydrophobicContact CE2-CG2 4.19Å; F82-V124 HydrophobicContact CZ-CG2 3.36Å; R121-V124 PolarHBondContact NH2-O 3.05Å; S122-V124 PolarHBondContact OG-N 3.32Å | ||
| 125 | N | 85.7 | Confident | 90.7 | Very high | 90 Ų | 90 | 76.1 Ų | 76.1 | 48% | 0.481 | 37% | 0.368 | S | S | . | . | trans | -54.8 | 138.4 | 176.7 | -68.2 | -28 | 0 | 0 | 0 | 111.3 | F127 | N125-F127 HydrophobicContact CB-CD2 3.65Å; N125-F127 HydrophobicContact CB-CE2 3.39Å; N125-F127 HydrophobicContact CB-CG 4.41Å; N125-F127 HydrophobicContact CB-CZ 3.95Å; N125-F127 PolarHBondContact O-N 2.87Å; N125-F127 VanDerWaalsContact O-N 3.11Å | ||
| 126 | I | 87.6 | Confident | 90.3 | Very high | 119 Ų | 119 | 85.3 Ų | 85.3 | 61% | 0.61 | 41% | 0.408 | S | S | * | . | trans | -81.7 | 92.3 | 178.1 | -56.3 | 166.9 | 0 | 0 | 0 | 107.8 | R121 | R121-I126 VanDerWaalsContact CZ-CG1 3.48Å; R121-I126 VanDerWaalsContact NH1-CG1 3.26Å | ||
| 127 | F | 87.5 | Confident | 90.1 | Very high | 88 Ų | 88 | 92.1 Ų | 92.1 | 39% | 0.386 | 43% | 0.429 | S | S | . | . | trans | -124.6 | 157 | 174.2 | -65.8 | -43.7 | 0 | 0 | 0 | 110.8 | P7 A9 N125 I129 | P7-F127 HydrophobicContact CG-CD1 4.11Å; P7-F127 HydrophobicContact CG-CD2 4.46Å; P7-F127 HydrophobicContact CG-CE1 3.95Å; P7-F127 HydrophobicContact CG-CE2 4.29Å; P7-F127 HydrophobicContact CG-CG 4.39Å; P7-F127 HydrophobicContact CG-CZ 4.04Å; A9-F127 HydrophobicContact CB-CB 4.12Å; N125-F127 HydrophobicContact CB-CD2 3.65Å; N125-F127 HydrophobicContact CB-CE2 3.39Å; N125-F127 HydrophobicContact CB-CG 4.41Å; N125-F127 HydrophobicContact CB-CZ 3.95Å; N125-F127 PolarHBondContact O-N 2.87Å; N125-F127 VanDerWaalsContact O-N 3.11Å; F127-I129 PolarHBondContact O-N 3.35Å | ||
| 128 | P | 89.7 | Confident | 90 | Very high | 58 Ų | 58 | 92.9 Ų | 92.9 | 38% | 0.377 | 44% | 0.442 | S | S | . | . | trans | -54.3 | 127.1 | 170.4 | -23.5 | 33.7 | 0 | 0 | 0 | 110.6 | R8 A9 | R8-P128 CarbonylContact C-O 3.54Å; R8-P128 VanDerWaalsContact CA-O 3.27Å; R8-P128 WeakPolarHBondContact CA-O 3.48Å; R8-P128 HydrophobicContact CG-CB 4.48Å; A9-P128 PolarHBondContact N-O 2.97Å | ||
| 129 | I | 89.9 | Confident | 90 | Very high | 63 Ų | 63 | 95.4 Ų | 95.4 | 32% | 0.323 | 46% | 0.46 | S | S | . | . | B | Isolated β-bridge | trans | -83.3 | 126.3 | -179.8 | -61.9 | 175 | 0 | 0 | 0 | 108.5 | A9 L11 F127 K131 Y132 | A9-I129 CarbonylContact O-C 3.58Å; A9-I129 WeakPolarHBondContact O-CA 3.27Å; L11-I129 HydrophobicContact CB-CG2 4.25Å; F127-I129 PolarHBondContact O-N 3.35Å; I129-K131 WeakPolarHBondContact CG2-O 3.36Å; I129-Y132 HydrophobicContact CB-CD1 4.3Å; I129-Y132 HydrophobicContact CB-CE1 4.08Å; I129-Y132 HydrophobicContact CG2-CD1 4.1Å; I129-Y132 HydrophobicContact CG2-CE1 4.36Å |
| 130 | Y | 89.4 | Confident | 90.2 | Very high | 141 Ų | 141 | 99 Ų | 99 | 55% | 0.553 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -72.7 | -43.8 | 178.3 | 177.3 | -124.1 | 0 | 0 | 0 | 112.4 | A9 | A9-Y130 PolarHBondContact O-N 3.41Š|
| 131 | K | 91 | Very high | 90.2 | Very high | 86 Ų | 86 | 102.8 Ų | 102.8 | 37% | 0.374 | 50% | 0.495 | S | S | . | . | trans | -132.5 | 125.8 | 178 | -70 | -178.6 | 179 | -177.3 | 0 | 110.1 | L11 I129 W133 | L11-K131 WeakPolarHBondContact CB-O 3.27Å; I129-K131 WeakPolarHBondContact CG2-O 3.36Å; K131-W133 HydrophobicContact CD-CZ2 4.4Å; K131-W133 PolarHBondContact O-N 2.97Å | ||
| 132 | Y | 91.7 | Very high | 90.2 | Very high | 185 Ų | 185 | 102.7 Ų | 102.7 | 73% | 0.725 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -78.4 | 7 | 178.5 | -60.6 | -70.7 | 0 | 0 | 0 | 114.1 | L11 I129 | L11-Y132 VanDerWaalsContact CD2-O 3.22Å; L11-Y132 WeakPolarHBondContact CD2-O 3.41Å; I129-Y132 HydrophobicContact CB-CD1 4.3Å; I129-Y132 HydrophobicContact CB-CE1 4.08Å; I129-Y132 HydrophobicContact CG2-CD1 4.1Å; I129-Y132 HydrophobicContact CG2-CE1 4.36Å |
| 133 | W | 91.2 | Very high | 90.4 | Very high | 160 Ų | 160 | 107.6 Ų | 107.6 | 61% | 0.606 | 53% | 0.53 | S | S | * | . | trans | -136.8 | 153.2 | 175.6 | 59.5 | -92.9 | 0 | 0 | 0 | 109.5 | K131 T135 | K131-W133 HydrophobicContact CD-CZ2 4.4Å; K131-W133 PolarHBondContact O-N 2.97Å; W133-T135 HydrophobicContact CE3-CG2 4.38Å; W133-T135 HydrophobicContact CZ3-CG2 4.01Å | ||
| 134 | S | 88.2 | Confident | 90.7 | Very high | 75 Ų | 75 | 116.3 Ų | 116.3 | 52% | 0.524 | 56% | 0.562 | S | S | . | * | trans | -151 | 130.3 | 179.6 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | L11 | L11-S134 WeakPolarHBondContact O-CB 3.23Å; L11-S134 PolarHBondContact O-OG 3.08Å; L11-S134 VanDerWaalsContact O-OG 3.05Å | ||
| 135 | T | 89.9 | Confident | 90.9 | Very high | 72 Ų | 72 | 119.4 Ų | 119.4 | 44% | 0.442 | 57% | 0.574 | S | S | . | * | trans | -135.5 | 140.3 | 177.3 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | W133 R137 P138 | W133-T135 HydrophobicContact CE3-CG2 4.38Å; W133-T135 HydrophobicContact CZ3-CG2 4.01Å; T135-R137 VanDerWaalsContact C-N 3.27Å; T135-R137 PolarHBondContact OG1-N 3Å; T135-R137 PolarHBondContact OG1-O 3.26Å; T135-P138 HydrophobicContact CG2-CB 4.09Å | ||
| 136 | K | 87.8 | Confident | 91 | Very high | 195 Ų | 195 | 119.8 Ų | 119.8 | 85% | 0.848 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -78.7 | -16.1 | 170.3 | -64.8 | -173.6 | 178.7 | -174.8 | 0 | 112.1 | ||
| 137 | R | 92.2 | Very high | 90.8 | Very high | 212 Ų | 212 | 122.5 Ų | 122.5 | 80% | 0.8 | 59% | 0.589 | S | S | * | * | trans | -132.1 | 88.2 | -177 | -65 | -177.8 | -176.9 | 161.6 | -0.7 | 108.6 | T135 S139 | T135-R137 VanDerWaalsContact C-N 3.27Å; T135-R137 PolarHBondContact OG1-N 3Å; T135-R137 PolarHBondContact OG1-O 3.26Å; R137-S139 VanDerWaalsContact C-N 3.33Å | ||
| 138 | P | 94 | Very high | 90.4 | Very high | 100 Ų | 100 | 124 Ų | 124 | 65% | 0.649 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -73.1 | -22.4 | -176.8 | 28.1 | -34.5 | 0 | 0 | 0 | 113.8 | T135 | T135-P138 HydrophobicContact CG2-CB 4.09Š|
| 139 | S | 95.6 | Very high | 89.6 | Confident | 52 Ų | 52 | 128.3 Ų | 128.3 | 36% | 0.364 | 61% | 0.609 | S | S | . | * | trans | -132 | 151.4 | 175.8 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | R137 Q141 G142 | R137-S139 VanDerWaalsContact C-N 3.33Å; S139-Q141 PolarHBondContact OG-N 3.26Å; S139-G142 PolarHBondContact OG-N 3.4Å; S139-G142 VanDerWaalsContact OG-N 3.17Å; S139-G142 PolarHBondContact OG-O 2.88Å | ||
| 140 | I | 96.4 | Very high | 88.5 | Confident | 174 Ų | 174 | 129.8 Ų | 129.8 | 89% | 0.892 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -102.7 | -41.1 | 176.3 | -60.4 | 171.2 | 0 | 0 | 0 | 110.8 | ||
| 141 | Q | 94.1 | Very high | 87.1 | Confident | 173 Ų | 173 | 128.2 Ų | 128.2 | 81% | 0.808 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -95.4 | -2.9 | -175.1 | -66.9 | 175 | -14.6 | 0 | 0 | 113.6 | S139 | S139-Q141 PolarHBondContact OG-N 3.26Š|
| 142 | G | 90.8 | Very high | 85.7 | Confident | 46 Ų | 46 | 133.5 Ų | 133.5 | 47% | 0.474 | 64% | 0.642 | S | S | . | * | trans | 112.6 | 151.6 | -171 | 0 | 0 | 0 | 0 | 0 | 111.5 | S139 | S139-G142 PolarHBondContact OG-N 3.4Å; S139-G142 VanDerWaalsContact OG-N 3.17Å; S139-G142 PolarHBondContact OG-O 2.88Å | ||
| 143 | M | 93.2 | Very high | 84 | Confident | 141 Ų | 141 | 132.1 Ų | 132.1 | 70% | 0.695 | 65% | 0.647 | S | S | * | * | trans | -82.1 | 140.1 | 177.7 | -168.1 | 134.2 | 64.4 | 0 | 0 | 109.2 | H145 | M143-H145 PolarHBondContact O-N 2.98Š| ||
| 144 | W | 92.6 | Very high | 82.4 | Confident | 187 Ų | 187 | 132.5 Ų | 132.5 | 71% | 0.708 | 66% | 0.655 | S | S | * | * | trans | -56.7 | 134.1 | 174.8 | -176.9 | 92.5 | 0 | 0 | 0 | 110.3 | P146 | W144-P146 HydrophobicContact CH2-CB 4.43Å; W144-P146 HydrophobicContact CH2-CG 4.11Å; W144-P146 HydrophobicContact CZ3-CG 4.12Å | ||
| 145 | H | 90.6 | Very high | 80.9 | Confident | 90 Ų | 90 | 132.7 Ų | 132.7 | 42% | 0.417 | 65% | 0.653 | S | S | . | * | trans | -136.5 | 155.3 | 171.3 | 57 | 77.9 | 0 | 0 | 0 | 109 | M143 F147 Y148 | M143-H145 PolarHBondContact O-N 2.98Å; H145-F147 VanDerWaalsContact CE1-C 3.44Å; H145-F147 VanDerWaalsContact ND1-C 3.34Å; H145-F147 PolarHBondContact ND1-N 2.87Å; H145-F147 PolarHBondContact O-N 3Å; H145-Y148 PolarHBondContact CE1-N 3.35Å; H145-Y148 PolarHBondContact ND1-N 3.3Å; H145-Y148 AromaticContact NE2-CD2 3.89Å; H145-Y148 VanDerWaalsContact O-CB 3.23Å; H145-Y148 WeakPolarHBondContact O-CB 3.45Å; H145-Y148 PolarHBondContact O-N 3.25Å | ||
| 146 | P | 87.9 | Confident | 79.7 | Confident | 98 Ų | 98 | 136.6 Ų | 136.6 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | -24.9 | -175.7 | -28.9 | 36.1 | 0 | 0 | 0 | 115.1 | W144 | W144-P146 HydrophobicContact CH2-CB 4.43Å; W144-P146 HydrophobicContact CH2-CG 4.11Å; W144-P146 HydrophobicContact CZ3-CG 4.12Å |
| 147 | F | 83.8 | Confident | 79 | Confident | 177 Ų | 177 | 135 Ų | 135 | 78% | 0.776 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 12.7 | 178.4 | -50.1 | -71.5 | 0 | 0 | 0 | 114.8 | H145 | H145-F147 VanDerWaalsContact CE1-C 3.44Å; H145-F147 VanDerWaalsContact ND1-C 3.34Å; H145-F147 PolarHBondContact ND1-N 2.87Å; H145-F147 PolarHBondContact O-N 3Å |
| 148 | Y | 78.2 | Confident | 78.3 | Confident | 119 Ų | 119 | 130 Ų | 130 | 47% | 0.467 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -71 | -38.9 | -173.7 | -171.1 | -93.3 | 0 | 0 | 0 | 112.3 | H145 P150 | H145-Y148 PolarHBondContact CE1-N 3.35Å; H145-Y148 PolarHBondContact ND1-N 3.3Å; H145-Y148 AromaticContact NE2-CD2 3.89Å; H145-Y148 VanDerWaalsContact O-CB 3.23Å; H145-Y148 WeakPolarHBondContact O-CB 3.45Å; H145-Y148 PolarHBondContact O-N 3.25Å; Y148-P150 WeakPolarHBondContact O-CD 3.16Å |
| 149 | E | 73.4 | Confident | 77.8 | Confident | 149 Ų | 149 | 128.4 Ų | 128.4 | 70% | 0.696 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -81.8 | 109.6 | 169.2 | -70.6 | 176.7 | -170.8 | 0 | 0 | 107.7 | L151 | E149-L151 PolarHBondContact O-N 3.42Å; E149-L151 VanDerWaalsContact O-N 3.11Å |
| 150 | P | 66.2 | Low | 77.3 | Confident | 93 Ų | 93 | 130.7 Ų | 130.7 | 60% | 0.604 | 66% | 0.656 | S | S | * | * | trans | -56.9 | 123.9 | 162 | 24.7 | -31 | 0 | 0 | 0 | 105.8 | Y148 Y152 | Y148-P150 WeakPolarHBondContact O-CD 3.16Å; P150-Y152 HydrophobicContact CB-CD2 4.4Å; P150-Y152 HydrophobicContact CG-CD2 4.05Å; P150-Y152 PolarHBondContact O-N 3.04Å | ||
| 151 | L | 61.3 | Low | 76.9 | Confident | 109 Ų | 109 | 128.7 Ų | 128.7 | 57% | 0.571 | 65% | 0.647 | S | S | * | * | trans | -63.3 | 78.8 | 170 | -69.7 | 162.3 | 0 | 0 | 0 | 106.7 | E149 N153 Q154 T155 | E149-L151 PolarHBondContact O-N 3.42Å; E149-L151 VanDerWaalsContact O-N 3.11Å; L151-N153 PolarHBondContact O-N 3.5Å; L151-Q154 PolarHBondContact O-N 2.81Å; L151-T155 WeakPolarHBondContact CD1-OG1 3.47Å | ||
| 152 | Y | 59.8 | Low | 76.6 | Confident | 197 Ų | 197 | 124.7 Ų | 124.7 | 77% | 0.773 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -12.1 | -164.1 | -146.4 | -91.7 | 0 | 0 | 0 | 111 | P150 | P150-Y152 HydrophobicContact CB-CD2 4.4Å; P150-Y152 HydrophobicContact CG-CD2 4.05Å; P150-Y152 PolarHBondContact O-N 3.04Å |
| 153 | N | 56.4 | Low | 76.4 | Confident | 155 Ų | 155 | 126.3 Ų | 126.3 | 83% | 0.829 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.4 | 17.5 | 178.3 | -77.9 | -42.3 | 0 | 0 | 0 | 116.4 | L151 | L151-N153 PolarHBondContact O-N 3.5Š|
| 154 | Q | 57.2 | Low | 76.2 | Confident | 169 Ų | 169 | 124.4 Ų | 124.4 | 79% | 0.79 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.4 | 5.1 | -169 | -72.6 | -172.4 | -12.5 | 0 | 0 | 118.6 | L151 | L151-Q154 PolarHBondContact O-N 2.81Š|
| 155 | T | 57.9 | Low | 75.9 | Confident | 79 Ų | 79 | 124 Ų | 124 | 49% | 0.485 | 62% | 0.62 | S | S | . | * | trans | -144.7 | 92.6 | 168.8 | -50.1 | 0 | 0 | 0 | 0 | 110.4 | L151 L157 | L151-T155 WeakPolarHBondContact CD1-OG1 3.47Å; T155-L157 PolarHBondContact O-N 3.25Å | ||
| 156 | I | 64.4 | Low | 75.7 | Confident | 153 Ų | 153 | 122 Ų | 122 | 79% | 0.785 | 61% | 0.612 | S | S | * | * | trans | -49.2 | 128.7 | 155.3 | -59.7 | 165.7 | 0 | 0 | 0 | 105.5 | K158 | I156-K158 PolarHBondContact O-N 2.85Š| ||
| 157 | L | 72.2 | Confident | 75.6 | Confident | 162 Ų | 162 | 121.7 Ų | 121.7 | 85% | 0.848 | 60% | 0.604 | S | S | * | * | trans | -50.4 | 108.9 | 172.6 | -73.1 | 171.9 | 0 | 0 | 0 | 107.3 | T155 T159 | T155-L157 PolarHBondContact O-N 3.25Å; L157-T159 PolarHBondContact O-N 3.12Å | ||
| 158 | K | 77.9 | Confident | 75.6 | Confident | 106 Ų | 106 | 114.9 Ų | 114.9 | 46% | 0.461 | 58% | 0.584 | S | S | . | * | trans | -60.2 | 130 | -177.6 | -70 | -176.4 | 175.2 | -173.5 | 0 | 107.8 | I156 E162 I163 N166 | I156-K158 PolarHBondContact O-N 2.85Å; K158-E162 VanDerWaalsContact CA-OE2 3.25Å; K158-E162 WeakPolarHBondContact CA-OE2 3.37Å; K158-E162 HydrophobicContact CB-CB 4.19Å; K158-I163 HydrophobicContact CB-CD1 4.29Å; K158-I163 HydrophobicContact CB-CG1 3.69Å; K158-N166 PolarHBondContact NZ-ND2 2.88Å | ||
| 159 | T | 83.6 | Confident | 75.8 | Confident | 67 Ų | 67 | 114 Ų | 114 | 41% | 0.411 | 58% | 0.584 | S | S | . | * | trans | -63 | 152.7 | 175.1 | 62.4 | 0 | 0 | 0 | 0 | 109.3 | L157 N161 E162 I163 | L157-T159 PolarHBondContact O-N 3.12Å; T159-N161 PolarHBondContact O-N 2.93Å; T159-E162 PolarHBondContact N-OE2 3.48Å; T159-E162 WeakPolarHBondContact O-CB 3.26Å; T159-E162 PolarHBondContact O-N 3.48Å; T159-E162 WeakPolarHBondContact OG1-CG 3.28Å; T159-E162 PolarHBondContact OG1-N 3.02Å; T159-I163 PolarHBondContact O-N 3.08Å | ||
| 160 | P | 86.3 | Confident | 76.1 | Confident | 100 Ų | 100 | 114 Ų | 114 | 65% | 0.649 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -50.5 | -35.9 | 177.7 | -29.7 | 36 | 0 | 0 | 0 | 113.2 | I163 V164 | P160-I163 PolarHBondContact O-N 2.98Å; P160-V164 WeakPolarHBondContact O-CG2 3.42Å; P160-V164 PolarHBondContact O-N 3.25Å |
| 161 | N | 88.3 | Confident | 76.7 | Confident | 133 Ų | 133 | 113.9 Ų | 113.9 | 71% | 0.711 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.7 | -40.6 | 176.9 | -65.8 | -16.7 | 0 | 0 | 0 | 112.8 | T159 I163 V164 R165 | T159-N161 PolarHBondContact O-N 2.93Å; N161-I163 VanDerWaalsContact C-N 3.31Å; N161-V164 PolarHBondContact O-N 3.47Å; N161-R165 WeakPolarHBondContact O-CB 3.44Å; N161-R165 PolarHBondContact O-N 3.41Å |
| 162 | E | 87.1 | Confident | 77.3 | Confident | 88 Ų | 88 | 115.3 Ų | 115.3 | 41% | 0.411 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.3 | -35.6 | 174.6 | -73.8 | 168 | 178.1 | 0 | 0 | 111.9 | K158 T159 R165 N166 | K158-E162 VanDerWaalsContact CA-OE2 3.25Å; K158-E162 WeakPolarHBondContact CA-OE2 3.37Å; K158-E162 HydrophobicContact CB-CB 4.19Å; T159-E162 PolarHBondContact N-OE2 3.48Å; T159-E162 WeakPolarHBondContact O-CB 3.26Å; T159-E162 PolarHBondContact O-N 3.48Å; T159-E162 WeakPolarHBondContact OG1-CG 3.28Å; T159-E162 PolarHBondContact OG1-N 3.02Å; E162-R165 PolarHBondContact O-N 3.02Å; E162-N166 WeakPolarHBondContact O-CB 3.39Å; E162-N166 PolarHBondContact O-N 3.05Å; E162-N166 PolarHBondContact O-ND2 3.12Å |
| 163 | I | 86.4 | Confident | 77.6 | Confident | 80 Ų | 80 | 111.9 Ų | 111.9 | 41% | 0.41 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.4 | -50.2 | 174.8 | -63.1 | 172.1 | 0 | 0 | 0 | 109.4 | K158 T159 P160 N161 R165 N166 I167 | K158-I163 HydrophobicContact CB-CD1 4.29Å; K158-I163 HydrophobicContact CB-CG1 3.69Å; T159-I163 PolarHBondContact O-N 3.08Å; P160-I163 PolarHBondContact O-N 2.98Å; N161-I163 VanDerWaalsContact C-N 3.31Å; I163-R165 VanDerWaalsContact C-N 3.32Å; I163-R165 PolarHBondContact O-N 3.05Å; I163-N166 PolarHBondContact O-N 3.07Å; I163-I167 HydrophobicContact CG2-CD1 3.82Å; I163-I167 HydrophobicContact CG2-CG1 4.47Å; I163-I167 VanDerWaalsContact O-CG1 3.3Å; I163-I167 WeakPolarHBondContact O-CG1 3.24Å; I163-I167 PolarHBondContact O-N 3.12Å |
| 164 | V | 88.2 | Confident | 78.1 | Confident | 102 Ų | 102 | 113.3 Ų | 113.3 | 62% | 0.618 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -58.6 | -43.2 | 177.1 | 173 | 0 | 0 | 0 | 0 | 111.4 | P160 N161 I167 G168 | P160-V164 WeakPolarHBondContact O-CG2 3.42Å; P160-V164 PolarHBondContact O-N 3.25Å; N161-V164 PolarHBondContact O-N 3.47Å; V164-I167 PolarHBondContact O-N 3.02Å; V164-G168 PolarHBondContact O-N 3.26Å |
| 165 | R | 88 | Confident | 78.4 | Confident | 178 Ų | 178 | 114 Ų | 114 | 67% | 0.672 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.4 | -45.2 | 177.2 | -174.2 | -179.3 | 178.8 | -177.1 | 1 | 112.3 | N161 E162 I163 I167 G168 Q169 | N161-R165 WeakPolarHBondContact O-CB 3.44Å; N161-R165 PolarHBondContact O-N 3.41Å; E162-R165 PolarHBondContact O-N 3.02Å; I163-R165 VanDerWaalsContact C-N 3.32Å; I163-R165 PolarHBondContact O-N 3.05Å; R165-I167 VanDerWaalsContact C-N 3.35Å; R165-G168 PolarHBondContact O-N 3.35Å; R165-Q169 PolarHBondContact O-N 3.21Å |
| 166 | N | 85.9 | Confident | 78.7 | Confident | 48 Ų | 48 | 115.9 Ų | 115.9 | 26% | 0.257 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.2 | -40.8 | 177.7 | -73.6 | -39.9 | 0 | 0 | 0 | 111.4 | K158 E162 I163 G168 Q169 L170 | K158-N166 PolarHBondContact NZ-ND2 2.88Å; E162-N166 WeakPolarHBondContact O-CB 3.39Å; E162-N166 PolarHBondContact O-N 3.05Å; E162-N166 PolarHBondContact O-ND2 3.12Å; I163-N166 PolarHBondContact O-N 3.07Å; N166-G168 VanDerWaalsContact C-N 3.31Å; N166-G168 PolarHBondContact O-N 3.05Å; N166-Q169 PolarHBondContact O-N 3.32Å; N166-L170 VanDerWaalsContact O-CG 3.3Å; N166-L170 WeakPolarHBondContact O-CG 3.48Å; N166-L170 PolarHBondContact O-N 3.38Å |
| 167 | I | 85 | Confident | 79.1 | Confident | 91 Ų | 91 | 118 Ų | 118 | 47% | 0.467 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -59.6 | -45.5 | 173.7 | -68.6 | 166.7 | 0 | 0 | 0 | 109.6 | I163 V164 R165 Q169 L170 C171 | I163-I167 HydrophobicContact CG2-CD1 3.82Å; I163-I167 HydrophobicContact CG2-CG1 4.47Å; I163-I167 VanDerWaalsContact O-CG1 3.3Å; I163-I167 WeakPolarHBondContact O-CG1 3.24Å; I163-I167 PolarHBondContact O-N 3.12Å; V164-I167 PolarHBondContact O-N 3.02Å; R165-I167 VanDerWaalsContact C-N 3.35Å; I167-Q169 VanDerWaalsContact C-N 3.3Å; I167-Q169 PolarHBondContact O-N 3.31Å; I167-L170 PolarHBondContact O-N 2.99Å; I167-C171 VanDerWaalsContact O-CB 3.3Å; I167-C171 WeakPolarHBondContact O-CB 3.33Å; I167-C171 PolarHBondContact O-N 3.2Å; I167-C171 PolarHBondContact O-SG 2.86Å |
| 168 | G | 83.7 | Confident | 79.5 | Confident | 35 Ų | 35 | 114.4 Ų | 114.4 | 36% | 0.361 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -56.6 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V164 R165 N166 Q172 | V164-G168 PolarHBondContact O-N 3.26Å; R165-G168 PolarHBondContact O-N 3.35Å; N166-G168 VanDerWaalsContact C-N 3.31Å; N166-G168 PolarHBondContact O-N 3.05Å; G168-Q172 WeakPolarHBondContact O-CG 3.34Å; G168-Q172 PolarHBondContact O-N 3.16Å |
| 169 | Q | 82.5 | Confident | 79.9 | Confident | 99 Ų | 99 | 112.1 Ų | 112.1 | 46% | 0.463 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.8 | -40.6 | 175.8 | -71 | 175.4 | -23.1 | 0 | 0 | 112.8 | R165 N166 I167 C171 Q172 | R165-Q169 PolarHBondContact O-N 3.21Å; N166-Q169 PolarHBondContact O-N 3.32Å; I167-Q169 VanDerWaalsContact C-N 3.3Å; I167-Q169 PolarHBondContact O-N 3.31Å; Q169-C171 VanDerWaalsContact C-N 3.33Å; Q169-Q172 WeakPolarHBondContact O-CB 3.11Å; Q169-Q172 PolarHBondContact O-N 3.15Å |
| 170 | L | 79.7 | Confident | 80 | Confident | 149 Ų | 149 | 112.2 Ų | 112.2 | 78% | 0.78 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72 | -29.6 | 178.7 | -68.1 | 171.3 | 0 | 0 | 0 | 112.5 | N166 I167 Q172 | N166-L170 VanDerWaalsContact O-CG 3.3Å; N166-L170 WeakPolarHBondContact O-CG 3.48Å; N166-L170 PolarHBondContact O-N 3.38Å; I167-L170 PolarHBondContact O-N 2.99Å; L170-Q172 VanDerWaalsContact C-N 3.28Å |
| 171 | C | 78.9 | Confident | 80.2 | Confident | 92 Ų | 92 | 114.2 Ų | 114.2 | 62% | 0.622 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -75.6 | -15.6 | 174.5 | -73.8 | 0 | 0 | 0 | 0 | 113 | I167 Q169 T173 | I167-C171 VanDerWaalsContact O-CB 3.3Å; I167-C171 WeakPolarHBondContact O-CB 3.33Å; I167-C171 PolarHBondContact O-N 3.2Å; I167-C171 PolarHBondContact O-SG 2.86Å; Q169-C171 VanDerWaalsContact C-N 3.33Å; C171-T173 PolarHBondContact O-N 2.77Å |
| 172 | Q | 74 | Confident | 80.4 | Confident | 139 Ų | 139 | 112.4 Ų | 112.4 | 65% | 0.65 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -64.1 | 106.4 | 171.4 | -72.8 | 167 | 28.1 | 0 | 0 | 107.9 | G168 Q169 L170 K174 | G168-Q172 WeakPolarHBondContact O-CG 3.34Å; G168-Q172 PolarHBondContact O-N 3.16Å; Q169-Q172 WeakPolarHBondContact O-CB 3.11Å; Q169-Q172 PolarHBondContact O-N 3.15Å; L170-Q172 VanDerWaalsContact C-N 3.28Å; Q172-K174 PolarHBondContact O-N 3Å |
| 173 | T | 66.3 | Low | 80.6 | Confident | 124 Ų | 124 | 110.1 Ų | 110.1 | 76% | 0.761 | 57% | 0.572 | S | S | * | * | trans | -58 | 110.6 | 165.2 | 36.9 | 0 | 0 | 0 | 0 | 106.7 | C171 Q175 | C171-T173 PolarHBondContact O-N 2.77Å; T173-Q175 PolarHBondContact O-N 2.97Å | ||
| 174 | K | 66.8 | Low | 80.8 | Confident | 185 Ų | 185 | 111.8 Ų | 111.8 | 80% | 0.804 | 58% | 0.581 | S | S | * | * | trans | -52.2 | 116.5 | 157.4 | -77.9 | -174.8 | 177.6 | -176.4 | 0 | 104.7 | Q172 N176 | Q172-K174 PolarHBondContact O-N 3Å; K174-N176 PolarHBondContact O-N 3Å | ||
| 175 | Q | 63.7 | Low | 81.1 | Confident | 185 Ų | 185 | 112.1 Ų | 112.1 | 86% | 0.864 | 58% | 0.579 | S | S | * | * | trans | -59.8 | 97.5 | 169 | -72.4 | -175.7 | -29.9 | 0 | 0 | 104.9 | T173 E177 | T173-Q175 PolarHBondContact O-N 2.97Å; Q175-E177 PolarHBondContact O-N 2.93Å; Q175-E177 VanDerWaalsContact O-N 3.15Å | ||
| 176 | N | 64.2 | Low | 81.4 | Confident | 117 Ų | 117 | 108.7 Ų | 108.7 | 63% | 0.626 | 57% | 0.571 | S | S | * | * | trans | -61.5 | 119.4 | 166.9 | -84 | -9 | 0 | 0 | 0 | 104.4 | K174 L178 I183 | K174-N176 PolarHBondContact O-N 3Å; N176-L178 PolarHBondContact O-N 3.32Å; N176-L178 VanDerWaalsContact O-N 3.16Å; N176-I183 HydrophobicContact CB-CD1 4.49Å | ||
| 177 | E | 73.2 | Confident | 81.7 | Confident | 198 Ų | 198 | 112.4 Ų | 112.4 | 93% | 0.925 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -58.4 | -26.2 | 178.6 | -63.5 | 178.9 | 166.4 | 0 | 0 | 111.1 | Q175 | Q175-E177 PolarHBondContact O-N 2.93Å; Q175-E177 VanDerWaalsContact O-N 3.15Å |
| 178 | L | 80.8 | Confident | 82.1 | Confident | 87 Ų | 87 | 110.1 Ų | 110.1 | 46% | 0.455 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -80.6 | 132.7 | -179.9 | -61.5 | 172.1 | 0 | 0 | 0 | 112 | N176 E182 I183 | N176-L178 PolarHBondContact O-N 3.32Å; N176-L178 VanDerWaalsContact O-N 3.16Å; L178-E182 VanDerWaalsContact CA-OE2 3.24Å; L178-E182 WeakPolarHBondContact CA-OE2 3.47Å; L178-E182 HydrophobicContact CB-CB 4.29Å; L178-E182 HydrophobicContact CD2-CB 4.34Å; L178-E182 WeakPolarHBondContact CD2-OE2 3.49Å; L178-I183 HydrophobicContact CB-CD1 4.3Å; L178-I183 HydrophobicContact CB-CG1 3.86Å; L178-I183 HydrophobicContact CD1-CG1 4.41Å |
| 179 | S | 86.2 | Confident | 82.6 | Confident | 57 Ų | 57 | 114.6 Ų | 114.6 | 40% | 0.399 | 59% | 0.589 | S | S | . | * | trans | -59.1 | 150.5 | 168.5 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | E181 E182 I183 | S179-E181 PolarHBondContact O-N 3.31Å; S179-E181 VanDerWaalsContact O-N 3.12Å; S179-E181 PolarHBondContact OG-N 2.82Å; S179-E182 PolarHBondContact N-OE2 2.88Å; S179-E182 WeakPolarHBondContact O-CB 2.98Å; S179-E182 PolarHBondContact O-N 2.95Å; S179-I183 PolarHBondContact O-N 3.18Å; S179-I183 VanDerWaalsContact O-N 3.12Å | ||
| 180 | A | 85.1 | Confident | 83 | Confident | 69 Ų | 69 | 114.1 Ų | 114.1 | 57% | 0.57 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -55.1 | -32.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L184 | A180-L184 WeakPolarHBondContact O-CB 3.17Å; A180-L184 VanDerWaalsContact O-CG 3.27Å; A180-L184 WeakPolarHBondContact O-CG 3.35Å; A180-L184 PolarHBondContact O-N 3.02Å |
| 181 | E | 90.8 | Very high | 83.5 | Confident | 142 Ų | 142 | 113.1 Ų | 113.1 | 66% | 0.664 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.2 | -42.8 | 176.1 | -62.8 | -178.4 | 170.3 | 0 | 0 | 112.1 | S179 L184 L185 | S179-E181 PolarHBondContact O-N 3.31Å; S179-E181 VanDerWaalsContact O-N 3.12Å; S179-E181 PolarHBondContact OG-N 2.82Å; E181-L184 PolarHBondContact O-N 3.28Å; E181-L185 WeakPolarHBondContact O-CB 3.22Å; E181-L185 WeakPolarHBondContact O-CG 3.43Å; E181-L185 PolarHBondContact O-N 3.05Å |
| 182 | E | 92.3 | Very high | 84 | Confident | 96 Ų | 96 | 115.1 Ų | 115.1 | 45% | 0.449 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.4 | -42.4 | 178.8 | -66 | 173.8 | 148.4 | 0 | 0 | 110.8 | L178 S179 L184 L185 E186 | L178-E182 VanDerWaalsContact CA-OE2 3.24Å; L178-E182 WeakPolarHBondContact CA-OE2 3.47Å; L178-E182 HydrophobicContact CB-CB 4.29Å; L178-E182 HydrophobicContact CD2-CB 4.34Å; L178-E182 WeakPolarHBondContact CD2-OE2 3.49Å; S179-E182 PolarHBondContact N-OE2 2.88Å; S179-E182 WeakPolarHBondContact O-CB 2.98Å; S179-E182 PolarHBondContact O-N 2.95Å; E182-L184 VanDerWaalsContact C-N 3.31Å; E182-L184 PolarHBondContact O-N 3.33Å; E182-L185 PolarHBondContact O-N 3.22Å; E182-E186 WeakPolarHBondContact O-CB 3.3Å; E182-E186 PolarHBondContact O-N 2.91Å |
| 183 | I | 90.5 | Very high | 84.6 | Confident | 40 Ų | 40 | 115.8 Ų | 115.8 | 21% | 0.205 | 58% | 0.578 | C | S | . | * | H | α-helix | trans | -61.9 | -40.6 | 175.4 | -63 | 171.7 | 0 | 0 | 0 | 110.8 | N176 L178 S179 K187 | N176-I183 HydrophobicContact CB-CD1 4.49Å; L178-I183 HydrophobicContact CB-CD1 4.3Å; L178-I183 HydrophobicContact CB-CG1 3.86Å; L178-I183 HydrophobicContact CD1-CG1 4.41Å; S179-I183 PolarHBondContact O-N 3.18Å; S179-I183 VanDerWaalsContact O-N 3.12Å; I183-K187 HydrophobicContact CG2-CD 4.33Å; I183-K187 WeakPolarHBondContact O-CB 3.43Å; I183-K187 WeakPolarHBondContact O-CG 2.95Å; I183-K187 PolarHBondContact O-N 2.93Å |
| 184 | L | 91.1 | Very high | 85.2 | Confident | 114 Ų | 114 | 118.1 Ų | 118.1 | 60% | 0.597 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68 | -42.5 | 177.6 | -74.9 | 171.5 | 0 | 0 | 0 | 111.7 | A180 E181 E182 E186 K187 A188 | A180-L184 WeakPolarHBondContact O-CB 3.17Å; A180-L184 VanDerWaalsContact O-CG 3.27Å; A180-L184 WeakPolarHBondContact O-CG 3.35Å; A180-L184 PolarHBondContact O-N 3.02Å; E181-L184 PolarHBondContact O-N 3.28Å; E182-L184 VanDerWaalsContact C-N 3.31Å; E182-L184 PolarHBondContact O-N 3.33Å; L184-E186 VanDerWaalsContact C-N 3.35Å; L184-K187 PolarHBondContact O-N 3.23Å; L184-A188 WeakPolarHBondContact O-CB 3.3Å; L184-A188 PolarHBondContact O-N 3.37Å |
| 185 | L | 94.6 | Very high | 85.9 | Confident | 109 Ų | 109 | 115 Ų | 115 | 57% | 0.571 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.9 | -41.8 | 175.4 | -78.3 | 165 | 0 | 0 | 0 | 111.6 | E181 E182 A188 K189 | E181-L185 WeakPolarHBondContact O-CB 3.22Å; E181-L185 WeakPolarHBondContact O-CG 3.43Å; E181-L185 PolarHBondContact O-N 3.05Å; E182-L185 PolarHBondContact O-N 3.22Å; L185-A188 PolarHBondContact O-N 2.92Å; L185-K189 WeakPolarHBondContact O-CG 3.35Å; L185-K189 PolarHBondContact O-N 3.47Å |
| 186 | E | 93.2 | Very high | 86.8 | Confident | 106 Ų | 106 | 108.5 Ų | 108.5 | 50% | 0.495 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 175.6 | -171.9 | -177.6 | -173.1 | 0 | 0 | 111.4 | E182 L184 A188 K189 L190 | E182-E186 WeakPolarHBondContact O-CB 3.3Å; E182-E186 PolarHBondContact O-N 2.91Å; L184-E186 VanDerWaalsContact C-N 3.35Å; E186-A188 VanDerWaalsContact C-N 3.31Å; E186-A188 PolarHBondContact O-N 2.9Å; E186-K189 PolarHBondContact O-N 3.24Å; E186-L190 HydrophobicContact CG-CD1 4.46Å; E186-L190 WeakPolarHBondContact O-CG 3.42Å; E186-L190 PolarHBondContact O-N 2.94Å |
| 187 | K | 92.8 | Very high | 87.6 | Confident | 127 Ų | 127 | 108.4 Ų | 108.4 | 55% | 0.552 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.9 | -39.2 | 175.2 | -75.6 | 177.3 | 179.3 | 178.8 | 0 | 112.5 | I183 L184 L190 Q191 | I183-K187 HydrophobicContact CG2-CD 4.33Å; I183-K187 WeakPolarHBondContact O-CB 3.43Å; I183-K187 WeakPolarHBondContact O-CG 2.95Å; I183-K187 PolarHBondContact O-N 2.93Å; L184-K187 PolarHBondContact O-N 3.23Å; K187-L190 PolarHBondContact O-N 3.38Å; K187-Q191 PolarHBondContact O-N 3.36Å |
| 188 | A | 93.8 | Very high | 87.6 | Confident | 42 Ų | 42 | 105.9 Ų | 105.9 | 35% | 0.347 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L184 L185 E186 Q191 Q192 | L184-A188 WeakPolarHBondContact O-CB 3.3Å; L184-A188 PolarHBondContact O-N 3.37Å; L185-A188 PolarHBondContact O-N 2.92Å; E186-A188 VanDerWaalsContact C-N 3.31Å; E186-A188 PolarHBondContact O-N 2.9Å; A188-Q191 PolarHBondContact O-N 3.03Å; A188-Q192 WeakPolarHBondContact O-CG 3.23Å; A188-Q192 PolarHBondContact O-N 2.93Å |
| 189 | K | 93.5 | Very high | 87.3 | Confident | 129 Ų | 129 | 106.5 Ų | 106.5 | 56% | 0.561 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.8 | -46.4 | 173.5 | -73.2 | 175.7 | -178.2 | 177.2 | 0 | 111.6 | L185 E186 Q191 Q192 Y193 | L185-K189 WeakPolarHBondContact O-CG 3.35Å; L185-K189 PolarHBondContact O-N 3.47Å; E186-K189 PolarHBondContact O-N 3.24Å; K189-Q191 VanDerWaalsContact C-N 3.29Å; K189-Q191 PolarHBondContact O-N 3.47Å; K189-Q192 WeakPolarHBondContact O-CB 3.37Å; K189-Q192 PolarHBondContact O-N 3.37Å; K189-Q192 VanDerWaalsContact O-N 3.14Å; K189-Y193 WeakPolarHBondContact O-CD2 3.3Å; K189-Y193 PolarHBondContact O-N 3.21Å; K189-Y193 VanDerWaalsContact O-N 3.1Å |
| 190 | L | 92.7 | Very high | 86.1 | Confident | 90 Ų | 90 | 111 Ų | 111 | 47% | 0.471 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.5 | -35.3 | 176.8 | -72.4 | 171 | 0 | 0 | 0 | 113 | E186 K187 R194 | E186-L190 HydrophobicContact CG-CD1 4.46Å; E186-L190 WeakPolarHBondContact O-CG 3.42Å; E186-L190 PolarHBondContact O-N 2.94Å; K187-L190 PolarHBondContact O-N 3.38Å; L190-R194 PolarHBondContact O-N 3.4Å |
| 191 | Q | 88.4 | Confident | 86.2 | Confident | 127 Ų | 127 | 113.2 Ų | 113.2 | 59% | 0.593 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.3 | -40.1 | 173.2 | -84.4 | -177.7 | -23.4 | 0 | 0 | 112.5 | K187 A188 K189 Y193 R194 L195 | K187-Q191 PolarHBondContact O-N 3.36Å; A188-Q191 PolarHBondContact O-N 3.03Å; K189-Q191 VanDerWaalsContact C-N 3.29Å; K189-Q191 PolarHBondContact O-N 3.47Å; Q191-Y193 VanDerWaalsContact C-N 3.31Å; Q191-Y193 PolarHBondContact O-N 3.17Å; Q191-R194 PolarHBondContact O-N 3Å; Q191-L195 WeakPolarHBondContact O-CG 3.25Å; Q191-L195 PolarHBondContact O-N 3.02Å |
| 192 | Q | 89.3 | Confident | 85.9 | Confident | 135 Ų | 135 | 111.6 Ų | 111.6 | 63% | 0.631 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -59.3 | -42.6 | 175.3 | -73 | 176.6 | -15.4 | 0 | 0 | 111.4 | A188 K189 R194 L195 S196 | A188-Q192 WeakPolarHBondContact O-CG 3.23Å; A188-Q192 PolarHBondContact O-N 2.93Å; K189-Q192 WeakPolarHBondContact O-CB 3.37Å; K189-Q192 PolarHBondContact O-N 3.37Å; K189-Q192 VanDerWaalsContact O-N 3.14Å; Q192-R194 PolarHBondContact O-N 3.32Å; Q192-L195 PolarHBondContact O-N 2.97Å; Q192-S196 PolarHBondContact O-N 2.64Å; Q192-S196 PolarHBondContact O-OG 2.93Å |
| 193 | Y | 86.6 | Confident | 85.6 | Confident | 153 Ų | 153 | 112.5 Ų | 112.5 | 60% | 0.6 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.5 | -42.2 | 174.9 | -70.1 | -60.8 | 0 | 0 | 0 | 112.8 | K189 Q191 L195 S196 D197 | K189-Y193 WeakPolarHBondContact O-CD2 3.3Å; K189-Y193 PolarHBondContact O-N 3.21Å; K189-Y193 VanDerWaalsContact O-N 3.1Å; Q191-Y193 VanDerWaalsContact C-N 3.31Å; Q191-Y193 PolarHBondContact O-N 3.17Å; Y193-L195 VanDerWaalsContact C-N 3.28Å; Y193-L195 PolarHBondContact O-N 3.47Å; Y193-S196 WeakPolarHBondContact CA-OG 3.33Å; Y193-S196 PolarHBondContact O-N 3.39Å; Y193-S196 PolarHBondContact O-OG 3.05Å; Y193-D197 PolarHBondContact O-N 2.92Å |
| 194 | R | 80.3 | Confident | 85.3 | Confident | 173 Ų | 173 | 116.8 Ų | 116.8 | 65% | 0.653 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.4 | -34.2 | 175.2 | -73.7 | -175.1 | -156.7 | 168 | 6.3 | 113.2 | L190 Q191 Q192 L198 | L190-R194 PolarHBondContact O-N 3.4Å; Q191-R194 PolarHBondContact O-N 3Å; Q192-R194 PolarHBondContact O-N 3.32Å; R194-L198 WeakPolarHBondContact O-CD1 3.14Å; R194-L198 VanDerWaalsContact O-CG 3.31Å; R194-L198 WeakPolarHBondContact O-CG 3.2Å; R194-L198 PolarHBondContact O-N 3.26Å |
| 195 | L | 82 | Confident | 84.9 | Confident | 119 Ų | 119 | 116.9 Ų | 116.9 | 62% | 0.623 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -73.5 | -37.4 | 178.1 | -68.7 | 173.7 | 0 | 0 | 0 | 111.4 | Q191 Q192 Y193 L198 S199 | Q191-L195 WeakPolarHBondContact O-CG 3.25Å; Q191-L195 PolarHBondContact O-N 3.02Å; Q192-L195 PolarHBondContact O-N 2.97Å; Y193-L195 VanDerWaalsContact C-N 3.28Å; Y193-L195 PolarHBondContact O-N 3.47Å; L195-L198 PolarHBondContact O-N 2.84Å; L195-S199 PolarHBondContact O-N 3.11Å; L195-S199 PolarHBondContact O-OG 3.47Å |
| 196 | S | 82 | Confident | 84.3 | Confident | 48 Ų | 48 | 117.5 Ų | 117.5 | 34% | 0.336 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66 | -39 | 174.5 | 55.1 | 0 | 0 | 0 | 0 | 112.4 | Q192 Y193 L198 S199 S200 | Q192-S196 PolarHBondContact O-N 2.64Å; Q192-S196 PolarHBondContact O-OG 2.93Å; Y193-S196 WeakPolarHBondContact CA-OG 3.33Å; Y193-S196 PolarHBondContact O-N 3.39Å; Y193-S196 PolarHBondContact O-OG 3.05Å; S196-L198 PolarHBondContact O-N 3Å; S196-S199 WeakPolarHBondContact CA-OG 3.44Å; S196-S199 PolarHBondContact O-N 3.42Å; S196-S199 VanDerWaalsContact O-N 3.12Å; S196-S199 PolarHBondContact O-OG 2.86Å; S196-S200 PolarHBondContact O-N 3.27Å; S196-S200 PolarHBondContact O-OG 2.64Å |
| 197 | D | 79.6 | Confident | 83.6 | Confident | 116 Ų | 116 | 118.3 Ų | 118.3 | 62% | 0.62 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.2 | -24.2 | 177.5 | -67.2 | -12.9 | 0 | 0 | 0 | 112.7 | Y193 | Y193-D197 PolarHBondContact O-N 2.92Å |
| 198 | L | 75.1 | Confident | 82.9 | Confident | 144 Ų | 144 | 117.6 Ų | 117.6 | 75% | 0.754 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -85.6 | -17.9 | 174.4 | -73.5 | 166.2 | 0 | 0 | 0 | 113.2 | R194 L195 S196 | R194-L198 WeakPolarHBondContact O-CD1 3.14Å; R194-L198 VanDerWaalsContact O-CG 3.31Å; R194-L198 WeakPolarHBondContact O-CG 3.2Å; R194-L198 PolarHBondContact O-N 3.26Å; L195-L198 PolarHBondContact O-N 2.84Å; S196-L198 PolarHBondContact O-N 3Å |
| 199 | S | 73 | Confident | 82 | Confident | 100 Ų | 100 | 123.9 Ų | 123.9 | 70% | 0.699 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -94.4 | -8.4 | 177.3 | 62.2 | 0 | 0 | 0 | 0 | 114.1 | L195 S196 | L195-S199 PolarHBondContact O-N 3.11Å; L195-S199 PolarHBondContact O-OG 3.47Å; S196-S199 WeakPolarHBondContact CA-OG 3.44Å; S196-S199 PolarHBondContact O-N 3.42Å; S196-S199 VanDerWaalsContact O-N 3.12Å; S196-S199 PolarHBondContact O-OG 2.86Å |
| 200 | S | 61.6 | Low | 81 | Confident | 153 Ų | 153 | 123.5 Ų | 123.5 | 100% | 1.07 | 64% | 0.641 | S | S | * | * | trans | -96 | 0 | 176 | -49.7 | 0 | 0 | 0 | 0 | 110.5 | S196 | S196-S200 PolarHBondContact O-N 3.27Å; S196-S200 PolarHBondContact O-OG 2.64Å |
Retrieved 200 of 200 residues in 273.8 ms
(Link to these results)