| 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 | 55.4 | Low | 78.1 | Confident | 216 Ų | 216 | 84.3 Ų | 84.3 | 100% | 1.064 | 40% | 0.401 | S | S | * | . | 0 | 117.7 | 0 | -77.1 | -179.5 | -170.1 | 0 | 0 | 104.5 | E3 | M1-E3 PolarHBondContact O-N 3.17Å; M1-E3 VanDerWaalsContact O-N 3.15Å | |||
| 2 | S | 59.7 | Low | 77 | Confident | 67 Ų | 67 | 89.7 Ų | 89.7 | 47% | 0.469 | 43% | 0.434 | S | S | . | . | trans | -62.6 | 116.6 | 179.8 | -45.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3 | E | 80.4 | Confident | 76.8 | Confident | 125 Ų | 125 | 89.6 Ų | 89.6 | 58% | 0.584 | 44% | 0.437 | S | S | * | . | trans | -83 | 157.1 | 171.2 | -68 | -175.1 | 94.1 | 0 | 0 | 108.5 | M1 S20 | M1-E3 PolarHBondContact O-N 3.17Å; M1-E3 VanDerWaalsContact O-N 3.15Å; E3-S20 PolarHBondContact N-OG 2.93Å; E3-S20 PolarHBondContact O-N 3.27Å; E3-S20 PolarHBondContact O-OG 3.49Å | ||
| 4 | Y | 86.2 | Confident | 77 | Confident | 139 Ų | 139 | 96.1 Ų | 96.1 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 138.1 | 178.6 | -67.9 | -95 | 0 | 0 | 0 | 109.4 | E17 I18 P19 | Y4-E17 HydrophobicContact CD1-CB 4.2Å; Y4-I18 WeakPolarHBondContact CA-O 3.5Å; Y4-P19 HydrophobicContact CD1-CB 4.24Å; Y4-P19 HydrophobicContact CE1-CB 3.99Å |
| 5 | I | 90.8 | Very high | 77.6 | Confident | 1 Ų | 1 | 93.6 Ų | 93.6 | 1% | 0.005 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 141 | 177.2 | 71.7 | 151.4 | 0 | 0 | 0 | 109.3 | V7 E17 I18 V26 L41 W68 | I5-V7 HydrophobicContact CD1-CG2 3.46Å; I5-V7 VanDerWaalsContact CD1-CG2 3.46Å; I5-V7 HydrophobicContact CG1-CG2 3.78Å; I5-E17 CarbonylContact O-C 3.59Å; I5-E17 WeakPolarHBondContact O-CA 3.31Å; I5-I18 HydrophobicContact CG1-CB 3.91Å; I5-I18 HydrophobicContact CG1-CG2 4.48Å; I5-I18 WeakPolarHBondContact CG1-O 3.44Å; I5-I18 PolarHBondContact N-O 2.96Å; I5-I18 PolarHBondContact O-N 2.76Å; I5-V26 HydrophobicContact CD1-CB 4.32Å; I5-V26 HydrophobicContact CD1-CG1 4.08Å; I5-V26 HydrophobicContact CD1-CG2 3.81Å; I5-V26 HydrophobicContact CG1-CG2 4.08Å; I5-V26 HydrophobicContact CG2-CG2 4.07Å; I5-L41 HydrophobicContact CD1-CD1 3.96Å; I5-W68 HydrophobicContact CB-CD2 4.34Å; I5-W68 HydrophobicContact CB-CE3 4.25Å; I5-W68 HydrophobicContact CB-CG 4.46Å; I5-W68 HydrophobicContact CD1-CE3 4.09Å; I5-W68 HydrophobicContact CD1-CH2 4.29Å; I5-W68 HydrophobicContact CD1-CZ3 3.93Å; I5-W68 HydrophobicContact CG2-CB 3.61Å; I5-W68 HydrophobicContact CG2-CD2 3.43Å; I5-W68 VanDerWaalsContact CG2-CD2 3.43Å; I5-W68 HydrophobicContact CG2-CE3 3.82Å; I5-W68 HydrophobicContact CG2-CG 3.29Å |
| 6 | R | 90.3 | Very high | 78.2 | Confident | 95 Ų | 95 | 92.1 Ų | 92.1 | 36% | 0.358 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 113.9 | -179.7 | -72.6 | 177.9 | -176.5 | 175.2 | 1.4 | 109.9 | P15 E17 N70 V72 Y73 | R6-P15 HydrophobicContact CB-CB 3.98Å; R6-E17 HydrophobicContact CG-CG 4.03Å; R6-E17 IonicContact CZ-OE1 3.05Å; R6-E17 IonicContact NE-OE1 3.34Å; R6-E17 PolarHBondContact NE-OE1 2.82Å; R6-E17 IonicContact NH2-OE1 3.1Å; R6-N70 PolarHBondContact NH1-OD1 3.03Å; R6-V72 HydrophobicContact CB-CG2 4.44Å; R6-Y73 PolarHBondContact O-N 2.8Å |
| 7 | V | 89.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 92.9 Ų | 92.9 | 0% | 0 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 134 | -176.1 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | I5 P15 I16 I18 F35 L41 Y73 V75 | I5-V7 HydrophobicContact CD1-CG2 3.46Å; I5-V7 VanDerWaalsContact CD1-CG2 3.46Å; I5-V7 HydrophobicContact CG1-CG2 3.78Å; V7-P15 WeakPolarHBondContact O-CA 3.43Å; V7-I16 PolarHBondContact N-O 2.83Å; V7-I16 PolarHBondContact O-N 2.63Å; V7-I18 HydrophobicContact CB-CD1 3.93Å; V7-I18 HydrophobicContact CB-CG1 4.24Å; V7-I18 HydrophobicContact CG1-CD1 4.33Å; V7-I18 HydrophobicContact CG2-CB 4.37Å; V7-I18 HydrophobicContact CG2-CD1 3.86Å; V7-I18 HydrophobicContact CG2-CG1 4.07Å; V7-F35 HydrophobicContact CB-CE2 3.89Å; V7-F35 HydrophobicContact CB-CZ 4.43Å; V7-F35 HydrophobicContact CG1-CD2 3.99Å; V7-F35 HydrophobicContact CG1-CE2 3.55Å; V7-F35 HydrophobicContact CG1-CZ 4.13Å; V7-F35 WeakPolarHBondContact O-CZ 3.24Å; V7-L41 HydrophobicContact CG1-CD2 3.72Å; V7-L41 HydrophobicContact CG2-CD1 4.23Å; V7-Y73 CarbonylContact C-O 3.56Å; V7-Y73 VanDerWaalsContact CA-O 3.24Å; V7-Y73 WeakPolarHBondContact CA-O 3.37Å; V7-V75 HydrophobicContact CG1-CG2 3.49Å; V7-V75 VanDerWaalsContact CG1-CG2 3.49Å |
| 8 | T | 88.3 | Confident | 79.4 | Confident | 3 Ų | 3 | 87.9 Ų | 87.9 | 2% | 0.018 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 156.5 | 178.3 | -171 | 0 | 0 | 0 | 0 | 111.4 | D10 D13 V72 Y73 V74 V75 | T8-D10 WeakPolarHBondContact CG2-O 3.44Å; T8-D10 PolarHBondContact OG1-N 3.15Å; T8-D10 PolarHBondContact OG1-O 3.43Å; T8-D13 WeakPolarHBondContact OG1-CB 3.45Å; T8-V72 HydrophobicContact CG2-CG1 3.62Å; T8-Y73 PolarHBondContact N-O 3.24Å; T8-V74 HydrophobicContact CG2-CG2 3.99Å; T8-V74 CarbonylContact O-C 3.35Å; T8-V74 VanDerWaalsContact O-CA 3.3Å; T8-V74 WeakPolarHBondContact O-CA 3.4Å; T8-V75 WeakPolarHBondContact O-CG2 3.46Å; T8-V75 PolarHBondContact O-N 2.82Å |
| 9 | E | 80.4 | Confident | 79.9 | Confident | 103 Ų | 103 | 86 Ų | 86 | 48% | 0.481 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -79.8 | -42.8 | 172.8 | 175.3 | 156 | -113.2 | 0 | 0 | 111.4 | F35 V74 Y77 | E9-F35 HydrophobicContact CB-CD1 4.33Å; E9-F35 HydrophobicContact CB-CE1 4.2Å; E9-V74 WeakPolarHBondContact O-CG1 3.34Å; E9-Y77 HydrophobicContact CG-CE2 4.05Å; E9-Y77 VanDerWaalsContact OE1-CE2 3.22Å; E9-Y77 WeakPolarHBondContact OE1-CE2 3.43Å; E9-Y77 PolarHBondContact OE1-OH 3.5Å |
| 10 | D | 73.3 | Confident | 80.3 | Confident | 74 Ų | 74 | 82 Ų | 82 | 40% | 0.396 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -128.6 | 158.5 | 178.4 | -165.1 | -97.8 | 0 | 0 | 0 | 112 | T8 N12 D13 | T8-D10 WeakPolarHBondContact CG2-O 3.44Å; T8-D10 PolarHBondContact OG1-N 3.15Å; T8-D10 PolarHBondContact OG1-O 3.43Å; D10-N12 PolarHBondContact O-N 3.45Å; D10-N12 PolarHBondContact OD1-N 2.91Å; D10-N12 VanDerWaalsContact OD1-N 3.08Å; D10-N12 PolarHBondContact OD1-ND2 3.19Å; D10-D13 PolarHBondContact O-N 3.37Å |
| 11 | E | 64.4 | Low | 80.8 | Confident | 104 Ų | 104 | 81.8 Ų | 81.8 | 49% | 0.486 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -16.4 | 178.5 | -62.3 | -168.3 | 124 | 0 | 0 | 112.8 | R44 V74 | E11-R44 IonicContact OE1-CZ 3.6Å; E11-R44 IonicContact OE1-NE 3.81Å; E11-R44 PolarHBondContact OE1-NE 3.05Å; E11-R44 IonicContact OE1-NH1 3.05Å; E11-R44 IonicContact OE1-NH2 2.64Å; E11-R44 PolarHBondContact OE1-NH2 3.49Å; E11-R44 IonicContact OE2-CZ 3.5Å; E11-R44 IonicContact OE2-NH2 3.14Å; E11-R44 PolarHBondContact OE2-NH2 3.5Å; E11-V74 HydrophobicContact CG-CG2 4.23Å |
| 12 | N | 64.8 | Low | 82 | Confident | 149 Ų | 149 | 78.5 Ų | 78.5 | 80% | 0.797 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -7.1 | 179.4 | -58.9 | -74.5 | 0 | 0 | 0 | 114.5 | D10 | D10-N12 PolarHBondContact O-N 3.45Å; D10-N12 PolarHBondContact OD1-N 2.91Å; D10-N12 VanDerWaalsContact OD1-N 3.08Å; D10-N12 PolarHBondContact OD1-ND2 3.19Å |
| 13 | D | 74.7 | Confident | 83.1 | Confident | 89 Ų | 89 | 80.9 Ų | 80.9 | 48% | 0.476 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -89.5 | 154.4 | -178.1 | -80.1 | -37.2 | 0 | 0 | 0 | 112.7 | T8 D10 | T8-D13 WeakPolarHBondContact OG1-CB 3.45Å; D10-D13 PolarHBondContact O-N 3.37Å |
| 14 | E | 80.2 | Confident | 83.2 | Confident | 181 Ų | 181 | 75.9 Ų | 75.9 | 85% | 0.846 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 124.7 | 173.1 | -68.4 | -171.7 | 148.1 | 0 | 0 | 110.2 | ||
| 15 | P | 86.4 | Confident | 83.4 | Confident | 58 Ų | 58 | 69.7 Ų | 69.7 | 38% | 0.377 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 141.4 | -177.3 | 28.3 | -33.9 | 0 | 0 | 0 | 111.6 | R6 V7 V72 | R6-P15 HydrophobicContact CB-CB 3.98Å; V7-P15 WeakPolarHBondContact O-CA 3.43Å; P15-V72 HydrophobicContact CB-CG1 4.27Å |
| 16 | I | 85.8 | Confident | 83.4 | Confident | 69 Ų | 69 | 69.7 Ų | 69.7 | 35% | 0.354 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 134.4 | 172.8 | -64.1 | 176.9 | 0 | 0 | 0 | 109 | V7 I18 F35 | V7-I16 PolarHBondContact N-O 2.83Å; V7-I16 PolarHBondContact O-N 2.63Å; I16-I18 HydrophobicContact CG2-CG1 4.44Å; I16-F35 HydrophobicContact CB-CE2 4.36Å; I16-F35 HydrophobicContact CB-CZ 4.09Å; I16-F35 HydrophobicContact CD1-CE1 4.3Å; I16-F35 HydrophobicContact CD1-CE2 4.45Å; I16-F35 HydrophobicContact CD1-CZ 3.81Å; I16-F35 HydrophobicContact CG1-CZ 4.21Å |
| 17 | E | 90.2 | Very high | 83.3 | Confident | 107 Ų | 107 | 67.7 Ų | 67.7 | 50% | 0.5 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 118.4 | 175.4 | -71.8 | -172.3 | 151 | 0 | 0 | 110.7 | Y4 I5 R6 | Y4-E17 HydrophobicContact CD1-CB 4.2Å; I5-E17 CarbonylContact O-C 3.59Å; I5-E17 WeakPolarHBondContact O-CA 3.31Å; R6-E17 HydrophobicContact CG-CG 4.03Å; R6-E17 IonicContact CZ-OE1 3.05Å; R6-E17 IonicContact NE-OE1 3.34Å; R6-E17 PolarHBondContact NE-OE1 2.82Å; R6-E17 IonicContact NH2-OE1 3.1Å |
| 18 | I | 89.2 | Confident | 83.3 | Confident | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.1 | 179 | -60 | -166.1 | 0 | 0 | 0 | 109.1 | Y4 I5 V7 I16 V26 T30 V31 Q34 F35 | Y4-I18 WeakPolarHBondContact CA-O 3.5Å; I5-I18 HydrophobicContact CG1-CB 3.91Å; I5-I18 HydrophobicContact CG1-CG2 4.48Å; I5-I18 WeakPolarHBondContact CG1-O 3.44Å; I5-I18 PolarHBondContact N-O 2.96Å; I5-I18 PolarHBondContact O-N 2.76Å; V7-I18 HydrophobicContact CB-CD1 3.93Å; V7-I18 HydrophobicContact CB-CG1 4.24Å; V7-I18 HydrophobicContact CG1-CD1 4.33Å; V7-I18 HydrophobicContact CG2-CB 4.37Å; V7-I18 HydrophobicContact CG2-CD1 3.86Å; V7-I18 HydrophobicContact CG2-CG1 4.07Å; I16-I18 HydrophobicContact CG2-CG1 4.44Å; I18-V26 HydrophobicContact CG2-CG1 4.11Å; I18-T30 HydrophobicContact CG2-CG2 3.74Å; I18-V31 HydrophobicContact CD1-CB 4.31Å; I18-V31 HydrophobicContact CD1-CG1 4.39Å; I18-V31 HydrophobicContact CD1-CG2 4.06Å; I18-Q34 HydrophobicContact CD1-CB 4.47Å; I18-Q34 HydrophobicContact CD1-CG 4.45Å; I18-F35 HydrophobicContact CD1-CD2 4.17Å; I18-F35 HydrophobicContact CD1-CE2 3.96Å |
| 19 | P | 87.6 | Confident | 83.1 | Confident | 52 Ų | 52 | 72.3 Ų | 72.3 | 34% | 0.338 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 142.4 | 179.8 | 29 | -34.8 | 0 | 0 | 0 | 111.8 | Y4 T30 | Y4-P19 HydrophobicContact CD1-CB 4.24Å; Y4-P19 HydrophobicContact CE1-CB 3.99Å; P19-T30 HydrophobicContact CG-CG2 4.39Å |
| 20 | S | 89.2 | Confident | 83.4 | Confident | 5 Ų | 5 | 69.3 Ų | 69.3 | 4% | 0.035 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -91 | 155.6 | 167.8 | 77.4 | 0 | 0 | 0 | 0 | 111.7 | E3 T25 | E3-S20 PolarHBondContact N-OG 2.93Å; E3-S20 PolarHBondContact O-N 3.27Å; E3-S20 PolarHBondContact O-OG 3.49Å; S20-T25 WeakPolarHBondContact CA-O 3.4Å; S20-T25 WeakPolarHBondContact CB-O 3.26Å |
| 21 | E | 89.4 | Confident | 84.1 | Confident | 79 Ų | 79 | 65.8 Ų | 65.8 | 37% | 0.369 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 167.6 | 170.5 | -58.2 | -59.1 | 127 | 0 | 0 | 110.9 | D23 G24 T25 L27 | E21-D23 WeakPolarHBondContact CB-OD1 3.36Å; E21-D23 PolarHBondContact O-N 2.85Å; E21-G24 PolarHBondContact O-N 3.26Å; E21-T25 PolarHBondContact N-O 3.35Å; E21-L27 HydrophobicContact CG-CG 4.14Å |
| 22 | D | 81.9 | Confident | 85.1 | Confident | 146 Ų | 146 | 63.2 Ų | 63.2 | 78% | 0.781 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -20.8 | -178.5 | -70.7 | -51.7 | 0 | 0 | 0 | 113.7 | G24 | D22-G24 VanDerWaalsContact C-N 3.29Š|
| 23 | D | 82.2 | Confident | 85.9 | Confident | 117 Ų | 117 | 59.4 Ų | 59.4 | 63% | 0.626 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 4 | 175.3 | 70.6 | -6.4 | 0 | 0 | 0 | 113.2 | E21 T25 | E21-D23 WeakPolarHBondContact CB-OD1 3.36Å; E21-D23 PolarHBondContact O-N 2.85Å; D23-T25 VanDerWaalsContact C-N 3.29Å; D23-T25 PolarHBondContact O-N 2.75Å; D23-T25 VanDerWaalsContact OD1-CB 3.31Å; D23-T25 WeakPolarHBondContact OD1-CB 3.29Å; D23-T25 WeakPolarHBondContact OD1-CG2 3.29Å; D23-T25 PolarHBondContact OD1-N 2.81Å; D23-T25 PolarHBondContact OD1-OG1 3.22Å; D23-T25 PolarHBondContact OD2-OG1 3.34Å |
| 24 | G | 82.4 | Confident | 86.3 | Confident | 20 Ų | 20 | 60.3 Ų | 60.3 | 21% | 0.206 | 34% | 0.336 | C | S | . | . | S | Bend | trans | 77.6 | 9.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | E21 D22 W68 | E21-G24 PolarHBondContact O-N 3.26Å; D22-G24 VanDerWaalsContact C-N 3.29Å; G24-W68 PolarHBondContact O-NE1 2.89Å |
| 25 | T | 89.9 | Confident | 86.6 | Confident | 10 Ų | 10 | 52.5 Ų | 52.5 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | trans | -88.7 | 166.2 | 171.9 | 68.7 | 0 | 0 | 0 | 0 | 111.8 | S20 E21 D23 I60 L61 | S20-T25 WeakPolarHBondContact CA-O 3.4Å; S20-T25 WeakPolarHBondContact CB-O 3.26Å; E21-T25 PolarHBondContact N-O 3.35Å; D23-T25 VanDerWaalsContact C-N 3.29Å; D23-T25 PolarHBondContact O-N 2.75Å; D23-T25 VanDerWaalsContact OD1-CB 3.31Å; D23-T25 WeakPolarHBondContact OD1-CB 3.29Å; D23-T25 WeakPolarHBondContact OD1-CG2 3.29Å; D23-T25 PolarHBondContact OD1-N 2.81Å; D23-T25 PolarHBondContact OD1-OG1 3.22Å; D23-T25 PolarHBondContact OD2-OG1 3.34Å; T25-I60 HydrophobicContact CG2-CG2 3.82Å; T25-L61 WeakPolarHBondContact CA-O 3.45Å | ||
| 26 | V | 90.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 130.4 | 173.7 | 174.4 | 0 | 0 | 0 | 0 | 108.8 | I5 I18 V31 L61 W68 | I5-V26 HydrophobicContact CD1-CB 4.32Å; I5-V26 HydrophobicContact CD1-CG1 4.08Å; I5-V26 HydrophobicContact CD1-CG2 3.81Å; I5-V26 HydrophobicContact CG1-CG2 4.08Å; I5-V26 HydrophobicContact CG2-CG2 4.07Å; I18-V26 HydrophobicContact CG2-CG1 4.11Å; V26-V31 HydrophobicContact CG1-CG2 3.81Å; V26-L61 HydrophobicContact CB-CB 4.33Å; V26-L61 HydrophobicContact CG1-CD1 4.47Å; V26-L61 PolarHBondContact N-O 2.77Å; V26-L61 WeakPolarHBondContact O-CA 3.34Å; V26-L61 VanDerWaalsContact O-CB 3.28Å; V26-L61 WeakPolarHBondContact O-CB 3.41Å; V26-L61 PolarHBondContact O-N 3.36Å; V26-W68 HydrophobicContact CB-CH2 4.27Å; V26-W68 HydrophobicContact CB-CZ2 3.92Å; V26-W68 HydrophobicContact CG2-CH2 4.15Å; V26-W68 HydrophobicContact CG2-CZ2 3.54Å |
| 27 | L | 89.4 | Confident | 85.8 | Confident | 54 Ų | 54 | 53.8 Ų | 53.8 | 28% | 0.283 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 130.8 | 176.8 | -60.4 | 175.9 | 0 | 0 | 0 | 110.6 | E21 S29 T30 V31 I60 | E21-L27 HydrophobicContact CG-CG 4.14Å; L27-S29 WeakPolarHBondContact CB-OG 3.45Å; L27-S29 PolarHBondContact O-N 3.17Å; L27-T30 WeakPolarHBondContact O-CB 3.28Å; L27-T30 PolarHBondContact O-N 3.06Å; L27-V31 PolarHBondContact O-N 2.83Å; L27-V31 VanDerWaalsContact O-N 3.17Å; L27-I60 HydrophobicContact CD2-CG1 4.09Å |
| 28 | L | 88.8 | Confident | 85.5 | Confident | 27 Ų | 27 | 49 Ų | 49 | 14% | 0.141 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.1 | -32.4 | 173.3 | -179 | 64.2 | 0 | 0 | 0 | 110.7 | T30 V31 T32 L56 G59 L61 | L28-T30 VanDerWaalsContact C-N 3.33Å; L28-T30 PolarHBondContact O-N 2.78Å; L28-V31 HydrophobicContact CD1-CB 4.47Å; L28-V31 CarbonylContact O-C 3.59Å; L28-V31 WeakPolarHBondContact O-CB 3.18Å; L28-V31 PolarHBondContact O-N 2.78Å; L28-T32 HydrophobicContact CD1-CG2 4.37Å; L28-T32 HydrophobicContact CG-CG2 4.2Å; L28-T32 VanDerWaalsContact O-CG2 3.29Å; L28-T32 WeakPolarHBondContact O-CG2 3.49Å; L28-T32 PolarHBondContact O-N 2.82Å; L28-T32 PolarHBondContact O-OG1 2.9Å; L28-L56 HydrophobicContact CB-CD1 4.14Å; L28-L56 HydrophobicContact CD2-CD1 4.06Å; L28-L56 HydrophobicContact CD2-CD2 3.96Å; L28-G59 WeakPolarHBondContact CB-O 3.5Å; L28-G59 PolarHBondContact N-O 3.19Å; L28-L61 HydrophobicContact CD1-CD1 4.3Å |
| 29 | S | 84.9 | Confident | 85.4 | Confident | 73 Ų | 73 | 51.6 Ų | 51.6 | 51% | 0.51 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 174 | 51.6 | 0 | 0 | 0 | 0 | 112 | L27 V31 T32 A33 | L27-S29 WeakPolarHBondContact CB-OG 3.45Å; L27-S29 PolarHBondContact O-N 3.17Å; S29-V31 VanDerWaalsContact C-N 3.34Å; S29-V31 PolarHBondContact O-N 3.25Å; S29-T32 VanDerWaalsContact CA-OG1 3.26Å; S29-T32 WeakPolarHBondContact CA-OG1 3.5Å; S29-T32 PolarHBondContact O-N 2.79Å; S29-T32 PolarHBondContact O-OG1 3Å; S29-A33 PolarHBondContact O-N 2.83Å |
| 30 | T | 86.7 | Confident | 85.5 | Confident | 40 Ų | 40 | 49.5 Ų | 49.5 | 25% | 0.245 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 175.6 | -49.7 | 0 | 0 | 0 | 0 | 111.3 | I18 P19 L27 L28 A33 | I18-T30 HydrophobicContact CG2-CG2 3.74Å; P19-T30 HydrophobicContact CG-CG2 4.39Å; L27-T30 WeakPolarHBondContact O-CB 3.28Å; L27-T30 PolarHBondContact O-N 3.06Å; L28-T30 VanDerWaalsContact C-N 3.33Å; L28-T30 PolarHBondContact O-N 2.78Å; T30-A33 PolarHBondContact O-N 2.94Å |
| 31 | V | 88.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 172.1 | -178.8 | 0 | 0 | 0 | 0 | 111 | I18 V26 L27 L28 S29 A33 Q34 F35 A38 L41 L61 V75 | I18-V31 HydrophobicContact CD1-CB 4.31Å; I18-V31 HydrophobicContact CD1-CG1 4.39Å; I18-V31 HydrophobicContact CD1-CG2 4.06Å; V26-V31 HydrophobicContact CG1-CG2 3.81Å; L27-V31 PolarHBondContact O-N 2.83Å; L27-V31 VanDerWaalsContact O-N 3.17Å; L28-V31 HydrophobicContact CD1-CB 4.47Å; L28-V31 CarbonylContact O-C 3.59Å; L28-V31 WeakPolarHBondContact O-CB 3.18Å; L28-V31 PolarHBondContact O-N 2.78Å; S29-V31 VanDerWaalsContact C-N 3.34Å; S29-V31 PolarHBondContact O-N 3.25Å; V31-A33 VanDerWaalsContact C-N 3.27Å; V31-A33 PolarHBondContact O-N 2.81Å; V31-Q34 PolarHBondContact O-N 2.92Å; V31-F35 HydrophobicContact CG1-CD2 4.22Å; V31-F35 WeakPolarHBondContact O-CB 3.46Å; V31-F35 PolarHBondContact O-N 3.31Å; V31-A38 HydrophobicContact CG1-CB 4.04Å; V31-L41 HydrophobicContact CG1-CD2 3.99Å; V31-L41 HydrophobicContact CG2-CD1 4.35Å; V31-L61 HydrophobicContact CG2-CD1 3.82Å; V31-V75 HydrophobicContact CG1-CG2 4.42Å |
| 32 | T | 84.4 | Confident | 85.7 | Confident | 49 Ų | 49 | 49.7 Ų | 49.7 | 30% | 0.301 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.7 | -23.8 | -179.5 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | L28 S29 Q34 F35 P36 A38 | L28-T32 HydrophobicContact CD1-CG2 4.37Å; L28-T32 HydrophobicContact CG-CG2 4.2Å; L28-T32 VanDerWaalsContact O-CG2 3.29Å; L28-T32 WeakPolarHBondContact O-CG2 3.49Å; L28-T32 PolarHBondContact O-N 2.82Å; L28-T32 PolarHBondContact O-OG1 2.9Å; S29-T32 VanDerWaalsContact CA-OG1 3.26Å; S29-T32 WeakPolarHBondContact CA-OG1 3.5Å; S29-T32 PolarHBondContact O-N 2.79Å; S29-T32 PolarHBondContact O-OG1 3Å; T32-Q34 VanDerWaalsContact C-N 3.3Å; T32-F35 WeakPolarHBondContact CA-O 3.41Å; T32-F35 CarbonylContact O-C 3.56Å; T32-P36 WeakPolarHBondContact O-CA 3.4Å; T32-A38 HydrophobicContact CG2-CB 3.99Å; T32-A38 VanDerWaalsContact CG2-O 3.29Å; T32-A38 WeakPolarHBondContact CG2-O 3.36Å |
| 33 | A | 81.5 | Confident | 86 | Confident | 69 Ų | 69 | 43.5 Ų | 43.5 | 57% | 0.57 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64.2 | -38.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S29 T30 V31 | S29-A33 PolarHBondContact O-N 2.83Å; T30-A33 PolarHBondContact O-N 2.94Å; V31-A33 VanDerWaalsContact C-N 3.27Å; V31-A33 PolarHBondContact O-N 2.81Å |
| 34 | Q | 84.4 | Confident | 86.1 | Confident | 109 Ų | 109 | 42.9 Ų | 42.9 | 51% | 0.509 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -89.3 | -31.7 | 177 | -54.1 | -49 | 86.8 | 0 | 0 | 112.3 | I18 V31 T32 | I18-Q34 HydrophobicContact CD1-CB 4.47Å; I18-Q34 HydrophobicContact CD1-CG 4.45Å; V31-Q34 PolarHBondContact O-N 2.92Å; T32-Q34 VanDerWaalsContact C-N 3.3Å |
| 35 | F | 84.6 | Confident | 86.1 | Confident | 16 Ų | 16 | 42.6 Ų | 42.6 | 7% | 0.07 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -126.3 | 82.2 | -176.8 | -59.3 | -79.9 | 0 | 0 | 0 | 111.1 | V7 E9 I16 I18 V31 T32 G37 A38 V75 | V7-F35 HydrophobicContact CB-CE2 3.89Å; V7-F35 HydrophobicContact CB-CZ 4.43Å; V7-F35 HydrophobicContact CG1-CD2 3.99Å; V7-F35 HydrophobicContact CG1-CE2 3.55Å; V7-F35 HydrophobicContact CG1-CZ 4.13Å; V7-F35 WeakPolarHBondContact O-CZ 3.24Å; E9-F35 HydrophobicContact CB-CD1 4.33Å; E9-F35 HydrophobicContact CB-CE1 4.2Å; I16-F35 HydrophobicContact CB-CE2 4.36Å; I16-F35 HydrophobicContact CB-CZ 4.09Å; I16-F35 HydrophobicContact CD1-CE1 4.3Å; I16-F35 HydrophobicContact CD1-CE2 4.45Å; I16-F35 HydrophobicContact CD1-CZ 3.81Å; I16-F35 HydrophobicContact CG1-CZ 4.21Å; I18-F35 HydrophobicContact CD1-CD2 4.17Å; I18-F35 HydrophobicContact CD1-CE2 3.96Å; V31-F35 HydrophobicContact CG1-CD2 4.22Å; V31-F35 WeakPolarHBondContact O-CB 3.46Å; V31-F35 PolarHBondContact O-N 3.31Å; T32-F35 WeakPolarHBondContact CA-O 3.41Å; T32-F35 CarbonylContact O-C 3.56Å; F35-G37 PolarHBondContact O-N 3.39Å; F35-A38 HydrophobicContact CB-CB 4.23Å; F35-A38 VanDerWaalsContact O-CB 3.27Å; F35-A38 WeakPolarHBondContact O-CB 3.49Å; F35-A38 PolarHBondContact O-N 2.61Å; F35-A38 VanDerWaalsContact O-N 3.13Å; F35-V75 HydrophobicContact CB-CG1 4.36Å; F35-V75 HydrophobicContact CB-CG2 4.01Å; F35-V75 HydrophobicContact CD1-CG2 4.03Å; F35-V75 HydrophobicContact CD2-CG2 3.91Å; F35-V75 HydrophobicContact CE1-CG2 4.48Å; F35-V75 HydrophobicContact CE2-CG2 4.37Å; F35-V75 HydrophobicContact CG-CG2 3.71Å |
| 36 | P | 78.5 | Confident | 85.4 | Confident | 106 Ų | 106 | 46 Ų | 46 | 69% | 0.688 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 125 | -175.5 | -26 | 35.2 | 0 | 0 | 0 | 112.8 | T32 | T32-P36 WeakPolarHBondContact O-CA 3.4Š|
| 37 | G | 77.9 | Confident | 84.9 | Confident | 49 Ų | 49 | 52.2 Ų | 52.2 | 51% | 0.505 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | 0.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F35 C39 Y77 P78 | F35-G37 PolarHBondContact O-N 3.39Å; G37-C39 PolarHBondContact O-N 3.25Å; G37-Y77 WeakPolarHBondContact O-CD1 3.48Å; G37-P78 VanDerWaalsContact O-CD 3.3Å; G37-P78 WeakPolarHBondContact O-CD 3.42Å |
| 38 | A | 84.6 | Confident | 84.5 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | trans | -53.8 | 129.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V31 T32 F35 V75 Y77 | V31-A38 HydrophobicContact CG1-CB 4.04Å; T32-A38 HydrophobicContact CG2-CB 3.99Å; T32-A38 VanDerWaalsContact CG2-O 3.29Å; T32-A38 WeakPolarHBondContact CG2-O 3.36Å; F35-A38 HydrophobicContact CB-CB 4.23Å; F35-A38 VanDerWaalsContact O-CB 3.27Å; F35-A38 WeakPolarHBondContact O-CB 3.49Å; F35-A38 PolarHBondContact O-N 2.61Å; F35-A38 VanDerWaalsContact O-N 3.13Å; A38-V75 HydrophobicContact CB-CG1 3.35Å; A38-Y77 HydrophobicContact CB-CE1 4.45Å | ||
| 39 | C | 86.6 | Confident | 84.1 | Confident | 56 Ų | 56 | 56.5 Ų | 56.5 | 38% | 0.378 | 33% | 0.334 | S | S | . | . | trans | -111.6 | 1.7 | 174.9 | 71.1 | 0 | 0 | 0 | 0 | 113.1 | G37 L56 N76 Y77 P78 | G37-C39 PolarHBondContact O-N 3.25Å; C39-L56 VanDerWaalsContact O-CD2 3.24Å; C39-L56 WeakPolarHBondContact O-CD2 3.48Å; C39-N76 PolarHBondContact N-O 3.13Å; C39-N76 PolarHBondContact SG-O 3.22Å; C39-Y77 VanDerWaalsContact SG-C 3.54Å; C39-P78 VanDerWaalsContact SG-N 3.41Å | ||
| 40 | G | 89.2 | Confident | 83.5 | Confident | 7 Ų | 7 | 56.5 Ų | 56.5 | 7% | 0.072 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.5 | -174.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N76 | G40-N76 PolarHBondContact N-O 3.36Å; G40-N76 PolarHBondContact O-N 3.47Å |
| 41 | L | 91 | Very high | 83.4 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 154.1 | 178.1 | -63.9 | -178.7 | 0 | 0 | 0 | 110.7 | I5 V7 V31 V54 L61 V75 N76 | I5-L41 HydrophobicContact CD1-CD1 3.96Å; V7-L41 HydrophobicContact CG1-CD2 3.72Å; V7-L41 HydrophobicContact CG2-CD1 4.23Å; V31-L41 HydrophobicContact CG1-CD2 3.99Å; V31-L41 HydrophobicContact CG2-CD1 4.35Å; L41-V54 HydrophobicContact CB-CB 3.96Å; L41-V54 HydrophobicContact CB-CG2 3.68Å; L41-V54 WeakPolarHBondContact O-CB 3.09Å; L41-V54 PolarHBondContact O-N 2.81Å; L41-L61 HydrophobicContact CD1-CD1 3.75Å; L41-L61 HydrophobicContact CG-CD1 3.88Å; L41-V75 HydrophobicContact CD2-CB 4.41Å; L41-V75 HydrophobicContact CD2-CG2 3.9Å; L41-N76 PolarHBondContact O-ND2 3.21Å |
| 42 | R | 91.1 | Very high | 83.2 | Confident | 88 Ų | 88 | 63.3 Ų | 63.3 | 33% | 0.332 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 159.6 | 167.6 | 58.9 | 177.2 | 176.2 | 125.9 | 9.2 | 109.7 | M51 R52 Y73 V74 N76 | R42-M51 HydrophobicContact CB-CE 4.09Å; R42-M51 HydrophobicContact CG-CE 3.57Å; R42-R52 CarbonylContact C-O 3.56Å; R42-R52 WeakPolarHBondContact CA-O 3.3Å; R42-R52 VanDerWaalsContact CB-O 3.26Å; R42-R52 WeakPolarHBondContact CB-O 3.49Å; R42-Y73 CarbonylContact O-C 3.54Å; R42-Y73 WeakPolarHBondContact O-CA 3.02Å; R42-V74 HydrophobicContact CG-CB 4.18Å; R42-V74 WeakPolarHBondContact CG-O 3.11Å; R42-V74 PolarHBondContact N-O 2.84Å; R42-V74 PolarHBondContact O-N 2.78Å; R42-N76 WeakPolarHBondContact CD-OD1 3.47Å; R42-N76 VanDerWaalsContact CG-OD1 3.22Å; R42-N76 WeakPolarHBondContact CG-OD1 3.49Å; R42-N76 PolarHBondContact NE-OD1 2.86Å; R42-N76 VanDerWaalsContact NE-OD1 3.11Å |
| 43 | Y | 88.2 | Confident | 83.2 | Confident | 16 Ų | 16 | 63.8 Ų | 63.8 | 6% | 0.063 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 155.9 | 177.6 | 69.4 | -77.3 | 0 | 0 | 0 | 110.4 | M51 R52 V54 P64 L71 Y73 | Y43-M51 CarbonylContact O-C 3.57Å; Y43-M51 WeakPolarHBondContact O-CA 3.22Å; Y43-R52 HydrophobicContact CD1-CB 3.97Å; Y43-R52 WeakPolarHBondContact CD1-O 3.38Å; Y43-R52 HydrophobicContact CE1-CB 3.49Å; Y43-R52 VanDerWaalsContact CE1-CB 3.49Å; Y43-R52 HydrophobicContact CE2-CB 4.34Å; Y43-R52 PolarHBondContact N-O 3.5Å; Y43-R52 PolarHBondContact O-N 2.7Å; Y43-R52 WeakPolarHBondContact OH-CD 3.27Å; Y43-V54 HydrophobicContact CD1-CG2 4.1Å; Y43-P64 HydrophobicContact CE1-CG 3.87Å; Y43-L71 HydrophobicContact CD2-CD1 3.8Å; Y43-L71 HydrophobicContact CE2-CD1 3.88Å; Y43-Y73 HydrophobicContact CD1-CD1 4.17Å; Y43-Y73 AromaticContact CD1-CE1 3.74Å; Y43-Y73 HydrophobicContact CD1-CE1 3.74Å; Y43-Y73 HydrophobicContact CE1-CE1 4.5Å; Y43-Y73 HydrophobicContact CG-CD1 4.17Å; Y43-Y73 AromaticContact CG-CE1 3.82Å; Y43-Y73 HydrophobicContact CG-CE1 3.82Å |
| 44 | R | 84.4 | Confident | 83.6 | Confident | 103 Ų | 103 | 61.2 Ų | 61.2 | 39% | 0.389 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 126.4 | 174.8 | -172.6 | 169.4 | -69.6 | -178.9 | 4.4 | 109.4 | E11 P46 M51 | E11-R44 IonicContact OE1-CZ 3.6Å; E11-R44 IonicContact OE1-NE 3.81Å; E11-R44 PolarHBondContact OE1-NE 3.05Å; E11-R44 IonicContact OE1-NH1 3.05Å; E11-R44 IonicContact OE1-NH2 2.64Å; E11-R44 PolarHBondContact OE1-NH2 3.49Å; E11-R44 IonicContact OE2-CZ 3.5Å; E11-R44 IonicContact OE2-NH2 3.14Å; E11-R44 PolarHBondContact OE2-NH2 3.5Å; R44-P46 WeakPolarHBondContact O-CD 3.3Å; R44-M51 HydrophobicContact CB-SD 3.93Å; R44-M51 HydrophobicContact CG-SD 4.44Å |
| 45 | N | 82.6 | Confident | 83.9 | Confident | 15 Ų | 15 | 64.7 Ų | 64.7 | 8% | 0.08 | 36% | 0.359 | C | S | . | . | trans | -70 | 121.3 | 173.6 | -179.8 | 6.1 | 0 | 0 | 0 | 109.6 | V47 S48 Q49 C50 R52 | N45-V47 PolarHBondContact O-N 2.89Å; N45-V47 PolarHBondContact OD1-N 2.81Å; N45-S48 WeakPolarHBondContact ND2-CB 3.24Å; N45-S48 PolarHBondContact ND2-N 3.35Å; N45-S48 PolarHBondContact ND2-OG 3.27Å; N45-Q49 VanDerWaalsContact O-CA 3.23Å; N45-Q49 WeakPolarHBondContact O-CA 3.4Å; N45-Q49 PolarHBondContact O-N 2.8Å; N45-C50 PolarHBondContact N-O 2.78Å; N45-R52 HydrophobicContact CB-CG 4.3Å; N45-R52 VanDerWaalsContact ND2-CZ 3.27Å; N45-R52 PolarHBondContact ND2-NE 3.18Å; N45-R52 PolarHBondContact ND2-NH2 2.78Å | ||
| 46 | P | 76.4 | Confident | 84.1 | Confident | 81 Ų | 81 | 67.2 Ų | 67.2 | 53% | 0.526 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -31.6 | -178.4 | 23.1 | -34.1 | 0 | 0 | 0 | 113.1 | R44 Q49 L71 | R44-P46 WeakPolarHBondContact O-CD 3.3Å; P46-Q49 PolarHBondContact O-NE2 2.71Å; P46-L71 HydrophobicContact CG-CD2 4.35Å |
| 47 | V | 78.3 | Confident | 84.6 | Confident | 131 Ų | 131 | 65.6 Ų | 65.6 | 79% | 0.794 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -51.6 | -178.6 | 179.7 | 0 | 0 | 0 | 0 | 111.9 | N45 | N45-V47 PolarHBondContact O-N 2.89Å; N45-V47 PolarHBondContact OD1-N 2.81Å |
| 48 | S | 82.2 | Confident | 85 | Confident | 56 Ų | 56 | 72.5 Ų | 72.5 | 39% | 0.392 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -6.5 | -172.1 | 79 | 0 | 0 | 0 | 0 | 114.1 | N45 C50 | N45-S48 WeakPolarHBondContact ND2-CB 3.24Å; N45-S48 PolarHBondContact ND2-N 3.35Å; N45-S48 PolarHBondContact ND2-OG 3.27Å; S48-C50 PolarHBondContact O-N 3.42Å; S48-C50 PolarHBondContact O-SG 2.87Å; S48-C50 VanDerWaalsContact O-SG 3.41Å; S48-C50 PolarHBondContact OG-N 3.11Å |
| 49 | Q | 80.3 | Confident | 85 | Confident | 114 Ų | 114 | 73.6 Ų | 73.6 | 53% | 0.533 | 39% | 0.392 | S | S | . | . | trans | 56.9 | 3.4 | -173.7 | -62.1 | -65.6 | -58.6 | 0 | 0 | 115.5 | N45 P46 | N45-Q49 VanDerWaalsContact O-CA 3.23Å; N45-Q49 WeakPolarHBondContact O-CA 3.4Å; N45-Q49 PolarHBondContact O-N 2.8Å; P46-Q49 PolarHBondContact O-NE2 2.71Å | ||
| 50 | C | 72.4 | Confident | 85.1 | Confident | 74 Ų | 74 | 73.6 Ų | 73.6 | 50% | 0.5 | 39% | 0.387 | S | S | . | . | trans | -78.1 | 147.9 | 175.9 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | N45 S48 | N45-C50 PolarHBondContact N-O 2.78Å; S48-C50 PolarHBondContact O-N 3.42Å; S48-C50 PolarHBondContact O-SG 2.87Å; S48-C50 VanDerWaalsContact O-SG 3.41Å; S48-C50 PolarHBondContact OG-N 3.11Å | ||
| 51 | M | 83.9 | Confident | 85.2 | Confident | 64 Ų | 64 | 73.2 Ų | 73.2 | 32% | 0.315 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 127.7 | 168.3 | -63.3 | -55.7 | -63.4 | 0 | 0 | 110.4 | R42 Y43 R44 | R42-M51 HydrophobicContact CB-CE 4.09Å; R42-M51 HydrophobicContact CG-CE 3.57Å; Y43-M51 CarbonylContact O-C 3.57Å; Y43-M51 WeakPolarHBondContact O-CA 3.22Å; R44-M51 HydrophobicContact CB-SD 3.93Å; R44-M51 HydrophobicContact CG-SD 4.44Å |
| 52 | R | 83.8 | Confident | 85.1 | Confident | 118 Ų | 118 | 76.5 Ų | 76.5 | 45% | 0.445 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 136.1 | 173.4 | -71.7 | -175.5 | 174.6 | -171.5 | -1.8 | 109.6 | R42 Y43 N45 | R42-R52 CarbonylContact C-O 3.56Å; R42-R52 WeakPolarHBondContact CA-O 3.3Å; R42-R52 VanDerWaalsContact CB-O 3.26Å; R42-R52 WeakPolarHBondContact CB-O 3.49Å; Y43-R52 HydrophobicContact CD1-CB 3.97Å; Y43-R52 WeakPolarHBondContact CD1-O 3.38Å; Y43-R52 HydrophobicContact CE1-CB 3.49Å; Y43-R52 VanDerWaalsContact CE1-CB 3.49Å; Y43-R52 HydrophobicContact CE2-CB 4.34Å; Y43-R52 PolarHBondContact N-O 3.5Å; Y43-R52 PolarHBondContact O-N 2.7Å; Y43-R52 WeakPolarHBondContact OH-CD 3.27Å; N45-R52 HydrophobicContact CB-CG 4.3Å; N45-R52 VanDerWaalsContact ND2-CZ 3.27Å; N45-R52 PolarHBondContact ND2-NE 3.18Å; N45-R52 PolarHBondContact ND2-NH2 2.78Å |
| 53 | G | 85.8 | Confident | 84.8 | Confident | 60 Ų | 60 | 74 Ų | 74 | 62% | 0.619 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 146.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 54 | V | 90.2 | Very high | 84.6 | Confident | 15 Ų | 15 | 74.5 Ų | 74.5 | 9% | 0.091 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -83.7 | 136.9 | 166.4 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | L41 Y43 L56 L61 H62 W68 Y73 | L41-V54 HydrophobicContact CB-CB 3.96Å; L41-V54 HydrophobicContact CB-CG2 3.68Å; L41-V54 WeakPolarHBondContact O-CB 3.09Å; L41-V54 PolarHBondContact O-N 2.81Å; Y43-V54 HydrophobicContact CD1-CG2 4.1Å; V54-L56 PolarHBondContact O-N 3.09Å; V54-L61 HydrophobicContact CB-CD2 4.29Å; V54-L61 HydrophobicContact CG1-CB 4.08Å; V54-L61 HydrophobicContact CG1-CD2 3.9Å; V54-H62 WeakPolarHBondContact CG1-O 3.14Å; V54-W68 HydrophobicContact CG1-CH2 3.85Å; V54-W68 HydrophobicContact CG1-CZ3 4.13Å; V54-W68 HydrophobicContact CG2-CZ3 4.45Å; V54-Y73 HydrophobicContact CG2-CD1 3.6Å; V54-Y73 HydrophobicContact CG2-CE1 3.73Å |
| 55 | R | 89.7 | Confident | 84.1 | Confident | 182 Ų | 182 | 78.2 Ų | 78.2 | 69% | 0.687 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 124.4 | 179.2 | 176.6 | 178.6 | -70.9 | 157.8 | 0.1 | 109.2 | V57 L61 H62 | R55-V57 HydrophobicContact CG-CG2 4.1Å; R55-L61 WeakPolarHBondContact O-CA 3.37Å; R55-H62 HydrophobicContact CB-CB 4.36Å; R55-H62 PolarHBondContact O-N 2.81Å |
| 56 | L | 89 | Confident | 83.8 | Confident | 69 Ų | 69 | 82.2 Ų | 82.2 | 36% | 0.361 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 124.7 | 176.1 | 176.5 | 66.4 | 0 | 0 | 0 | 109.3 | L28 C39 V54 I60 L61 | L28-L56 HydrophobicContact CB-CD1 4.14Å; L28-L56 HydrophobicContact CD2-CD1 4.06Å; L28-L56 HydrophobicContact CD2-CD2 3.96Å; C39-L56 VanDerWaalsContact O-CD2 3.24Å; C39-L56 WeakPolarHBondContact O-CD2 3.48Å; V54-L56 PolarHBondContact O-N 3.09Å; L56-I60 WeakPolarHBondContact CA-O 3.35Å; L56-L61 HydrophobicContact CB-CD2 3.99Å; L56-L61 HydrophobicContact CD1-CD2 3.84Å; L56-L61 HydrophobicContact CD1-CG 3.99Å; L56-L61 HydrophobicContact CG-CD2 4.45Å |
| 57 | V | 88.3 | Confident | 84.1 | Confident | 72 Ų | 72 | 79.9 Ų | 79.9 | 44% | 0.436 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 120.8 | 175.9 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | R55 G59 I60 | R55-V57 HydrophobicContact CG-CG2 4.1Å; V57-G59 PolarHBondContact O-N 2.86Å; V57-I60 PolarHBondContact N-O 3.11Å; V57-I60 WeakPolarHBondContact O-CA 3.43Å; V57-I60 WeakPolarHBondContact O-CB 3.48Å; V57-I60 PolarHBondContact O-N 3.26Å |
| 58 | E | 87.3 | Confident | 84.4 | Confident | 194 Ų | 194 | 74.1 Ų | 74.1 | 91% | 0.907 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 34.1 | 177.6 | -59.5 | -169.6 | 142.7 | 0 | 0 | 115.1 | ||
| 59 | G | 83.7 | Confident | 84.3 | Confident | 29 Ų | 29 | 74.2 Ų | 74.2 | 30% | 0.299 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 4.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L28 V57 | L28-G59 WeakPolarHBondContact CB-O 3.5Å; L28-G59 PolarHBondContact N-O 3.19Å; V57-G59 PolarHBondContact O-N 2.86Å |
| 60 | I | 89.3 | Confident | 84.4 | Confident | 56 Ų | 56 | 74.7 Ų | 74.7 | 29% | 0.287 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 122.9 | 178.5 | -53.7 | 176.8 | 0 | 0 | 0 | 109.3 | T25 L27 L56 V57 | T25-I60 HydrophobicContact CG2-CG2 3.82Å; L27-I60 HydrophobicContact CD2-CG1 4.09Å; L56-I60 WeakPolarHBondContact CA-O 3.35Å; V57-I60 PolarHBondContact N-O 3.11Å; V57-I60 WeakPolarHBondContact O-CA 3.43Å; V57-I60 WeakPolarHBondContact O-CB 3.48Å; V57-I60 PolarHBondContact O-N 3.26Å |
| 61 | L | 90.9 | Very high | 85 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 118.9 | 175.5 | -65.8 | 158.5 | 0 | 0 | 0 | 109.1 | T25 V26 L28 V31 L41 V54 R55 L56 W68 | T25-L61 WeakPolarHBondContact CA-O 3.45Å; V26-L61 HydrophobicContact CB-CB 4.33Å; V26-L61 HydrophobicContact CG1-CD1 4.47Å; V26-L61 PolarHBondContact N-O 2.77Å; V26-L61 WeakPolarHBondContact O-CA 3.34Å; V26-L61 VanDerWaalsContact O-CB 3.28Å; V26-L61 WeakPolarHBondContact O-CB 3.41Å; V26-L61 PolarHBondContact O-N 3.36Å; L28-L61 HydrophobicContact CD1-CD1 4.3Å; V31-L61 HydrophobicContact CG2-CD1 3.82Å; L41-L61 HydrophobicContact CD1-CD1 3.75Å; L41-L61 HydrophobicContact CG-CD1 3.88Å; V54-L61 HydrophobicContact CB-CD2 4.29Å; V54-L61 HydrophobicContact CG1-CB 4.08Å; V54-L61 HydrophobicContact CG1-CD2 3.9Å; R55-L61 WeakPolarHBondContact O-CA 3.37Å; L56-L61 HydrophobicContact CB-CD2 3.99Å; L56-L61 HydrophobicContact CD1-CD2 3.84Å; L56-L61 HydrophobicContact CD1-CG 3.99Å; L56-L61 HydrophobicContact CG-CD2 4.45Å; L61-W68 HydrophobicContact CB-CH2 4.06Å |
| 62 | H | 89.4 | Confident | 85.1 | Confident | 69 Ų | 69 | 73.6 Ų | 73.6 | 32% | 0.319 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 134 | 179.2 | -67.9 | -87 | 0 | 0 | 0 | 111 | V54 R55 | V54-H62 WeakPolarHBondContact CG1-O 3.14Å; R55-H62 HydrophobicContact CB-CB 4.36Å; R55-H62 PolarHBondContact O-N 2.81Å |
| 63 | A | 85.3 | Confident | 85.3 | Confident | 35 Ų | 35 | 68 Ų | 68 | 29% | 0.289 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 145.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | W68 | A63-W68 HydrophobicContact CB-CD2 4.08Å; A63-W68 HydrophobicContact CB-CG 4.17Å; A63-W68 HydrophobicContact CB-CZ2 4.2Å |
| 64 | P | 82.9 | Confident | 85.4 | Confident | 27 Ų | 27 | 65.5 Ų | 65.5 | 18% | 0.175 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 165.8 | 167.3 | -22 | 33 | 0 | 0 | 0 | 112.5 | Y43 A66 G67 | Y43-P64 HydrophobicContact CE1-CG 3.87Å; P64-A66 PolarHBondContact O-N 3.08Å; P64-G67 WeakPolarHBondContact O-CA 3.42Å; P64-G67 PolarHBondContact O-N 2.82Å |
| 65 | D | 75.2 | Confident | 85.2 | Confident | 182 Ų | 182 | 65 Ų | 65 | 97% | 0.973 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -20.1 | -178.1 | -57 | -37.3 | 0 | 0 | 0 | 114.4 | ||
| 66 | A | 75.2 | Confident | 85 | Confident | 99 Ų | 99 | 58.5 Ų | 58.5 | 82% | 0.818 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 8.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P64 | P64-A66 PolarHBondContact O-N 3.08Š|
| 67 | G | 83 | Confident | 84.8 | Confident | 31 Ų | 31 | 58.7 Ų | 58.7 | 32% | 0.32 | 35% | 0.351 | S | S | . | . | trans | 77.6 | -173.4 | -170 | 0 | 0 | 0 | 0 | 0 | 113.1 | P64 | P64-G67 WeakPolarHBondContact O-CA 3.42Å; P64-G67 PolarHBondContact O-N 2.82Å | ||
| 68 | W | 85.1 | Confident | 84.2 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 4% | 0.042 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -73.1 | -38.5 | 177.2 | -64.2 | 107.3 | 0 | 0 | 0 | 112.5 | I5 G24 V26 V54 L61 A63 Y73 | I5-W68 HydrophobicContact CB-CD2 4.34Å; I5-W68 HydrophobicContact CB-CE3 4.25Å; I5-W68 HydrophobicContact CB-CG 4.46Å; I5-W68 HydrophobicContact CD1-CE3 4.09Å; I5-W68 HydrophobicContact CD1-CH2 4.29Å; I5-W68 HydrophobicContact CD1-CZ3 3.93Å; I5-W68 HydrophobicContact CG2-CB 3.61Å; I5-W68 HydrophobicContact CG2-CD2 3.43Å; I5-W68 VanDerWaalsContact CG2-CD2 3.43Å; I5-W68 HydrophobicContact CG2-CE3 3.82Å; I5-W68 HydrophobicContact CG2-CG 3.29Å; G24-W68 PolarHBondContact O-NE1 2.89Å; V26-W68 HydrophobicContact CB-CH2 4.27Å; V26-W68 HydrophobicContact CB-CZ2 3.92Å; V26-W68 HydrophobicContact CG2-CH2 4.15Å; V26-W68 HydrophobicContact CG2-CZ2 3.54Å; V54-W68 HydrophobicContact CG1-CH2 3.85Å; V54-W68 HydrophobicContact CG1-CZ3 4.13Å; V54-W68 HydrophobicContact CG2-CZ3 4.45Å; L61-W68 HydrophobicContact CB-CH2 4.06Å; A63-W68 HydrophobicContact CB-CD2 4.08Å; A63-W68 HydrophobicContact CB-CG 4.17Å; A63-W68 HydrophobicContact CB-CZ2 4.2Å; W68-Y73 WeakPolarHBondContact CA-OH 3.26Å; W68-Y73 HydrophobicContact CE3-CD1 4.33Å; W68-Y73 HydrophobicContact CE3-CD2 4.25Å; W68-Y73 AromaticContact CE3-CE1 3.76Å; W68-Y73 HydrophobicContact CE3-CE1 3.76Å; W68-Y73 AromaticContact CE3-CE2 3.67Å; W68-Y73 HydrophobicContact CE3-CE2 3.67Å; W68-Y73 AromaticContact CE3-CZ 3.4Å; W68-Y73 HydrophobicContact CZ3-CD1 4.05Å; W68-Y73 AromaticContact CZ3-CE1 3.74Å; W68-Y73 HydrophobicContact CZ3-CE1 3.74Å; W68-Y73 HydrophobicContact CZ3-CE2 4.33Å; W68-Y73 HydrophobicContact CZ3-CG 4.47Å; W68-Y73 AromaticContact CZ3-CZ 3.91Å; W68-Y73 PolarHBondContact O-OH 3.4Å |
| 69 | G | 80.3 | Confident | 83 | Confident | 57 Ų | 57 | 59.5 Ų | 59.5 | 59% | 0.588 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | -159.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L71 | G69-L71 PolarHBondContact O-N 2.69Š|
| 70 | N | 82.7 | Confident | 81.3 | Confident | 125 Ų | 125 | 65.2 Ų | 65.2 | 67% | 0.668 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 43 | 177.3 | -166.4 | 17.5 | 0 | 0 | 0 | 111.6 | R6 | R6-N70 PolarHBondContact NH1-OD1 3.03Š|
| 71 | L | 83.9 | Confident | 79 | Confident | 49 Ų | 49 | 70.6 Ų | 70.6 | 26% | 0.257 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -96.7 | 149.5 | 178.4 | -64.7 | 173.1 | 0 | 0 | 0 | 110.2 | Y43 P46 G69 Y73 | Y43-L71 HydrophobicContact CD2-CD1 3.8Å; Y43-L71 HydrophobicContact CE2-CD1 3.88Å; P46-L71 HydrophobicContact CG-CD2 4.35Å; G69-L71 PolarHBondContact O-N 2.69Å; L71-Y73 HydrophobicContact CB-CE2 3.82Å; L71-Y73 WeakPolarHBondContact O-CD2 3.22Å |
| 72 | V | 85.8 | Confident | 76.5 | Confident | 66 Ų | 66 | 79.3 Ų | 79.3 | 40% | 0.4 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 126.6 | 172.3 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | R6 T8 P15 | R6-V72 HydrophobicContact CB-CG2 4.44Å; T8-V72 HydrophobicContact CG2-CG1 3.62Å; P15-V72 HydrophobicContact CB-CG1 4.27Å |
| 73 | Y | 88.4 | Confident | 74 | Confident | 0 Ų | 0 | 87.8 Ų | 87.8 | 0% | 0 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 128.3 | -179 | -65.8 | -93.8 | 0 | 0 | 0 | 109.4 | R6 V7 T8 R42 Y43 V54 W68 L71 | R6-Y73 PolarHBondContact O-N 2.8Å; V7-Y73 CarbonylContact C-O 3.56Å; V7-Y73 VanDerWaalsContact CA-O 3.24Å; V7-Y73 WeakPolarHBondContact CA-O 3.37Å; T8-Y73 PolarHBondContact N-O 3.24Å; R42-Y73 CarbonylContact O-C 3.54Å; R42-Y73 WeakPolarHBondContact O-CA 3.02Å; Y43-Y73 HydrophobicContact CD1-CD1 4.17Å; Y43-Y73 AromaticContact CD1-CE1 3.74Å; Y43-Y73 HydrophobicContact CD1-CE1 3.74Å; Y43-Y73 HydrophobicContact CE1-CE1 4.5Å; Y43-Y73 HydrophobicContact CG-CD1 4.17Å; Y43-Y73 AromaticContact CG-CE1 3.82Å; Y43-Y73 HydrophobicContact CG-CE1 3.82Å; V54-Y73 HydrophobicContact CG2-CD1 3.6Å; V54-Y73 HydrophobicContact CG2-CE1 3.73Å; W68-Y73 WeakPolarHBondContact CA-OH 3.26Å; W68-Y73 HydrophobicContact CE3-CD1 4.33Å; W68-Y73 HydrophobicContact CE3-CD2 4.25Å; W68-Y73 AromaticContact CE3-CE1 3.76Å; W68-Y73 HydrophobicContact CE3-CE1 3.76Å; W68-Y73 AromaticContact CE3-CE2 3.67Å; W68-Y73 HydrophobicContact CE3-CE2 3.67Å; W68-Y73 AromaticContact CE3-CZ 3.4Å; W68-Y73 HydrophobicContact CZ3-CD1 4.05Å; W68-Y73 AromaticContact CZ3-CE1 3.74Å; W68-Y73 HydrophobicContact CZ3-CE1 3.74Å; W68-Y73 HydrophobicContact CZ3-CE2 4.33Å; W68-Y73 HydrophobicContact CZ3-CG 4.47Å; W68-Y73 AromaticContact CZ3-CZ 3.91Å; W68-Y73 PolarHBondContact O-OH 3.4Å; L71-Y73 HydrophobicContact CB-CE2 3.82Å; L71-Y73 WeakPolarHBondContact O-CD2 3.22Å |
| 74 | V | 87.6 | Confident | 71.8 | Confident | 7 Ų | 7 | 95.7 Ų | 95.7 | 4% | 0.042 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 132.4 | 178 | -174.2 | 0 | 0 | 0 | 0 | 109.2 | T8 E9 E11 R42 | T8-V74 HydrophobicContact CG2-CG2 3.99Å; T8-V74 CarbonylContact O-C 3.35Å; T8-V74 VanDerWaalsContact O-CA 3.3Å; T8-V74 WeakPolarHBondContact O-CA 3.4Å; E9-V74 WeakPolarHBondContact O-CG1 3.34Å; E11-V74 HydrophobicContact CG-CG2 4.23Å; R42-V74 HydrophobicContact CG-CB 4.18Å; R42-V74 WeakPolarHBondContact CG-O 3.11Å; R42-V74 PolarHBondContact N-O 2.84Å; R42-V74 PolarHBondContact O-N 2.78Å |
| 75 | V | 87 | Confident | 69.6 | Low | 5 Ų | 5 | 103.8 Ų | 103.8 | 3% | 0.03 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 137.6 | 177 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | V7 T8 V31 F35 A38 L41 Y77 | V7-V75 HydrophobicContact CG1-CG2 3.49Å; V7-V75 VanDerWaalsContact CG1-CG2 3.49Å; T8-V75 WeakPolarHBondContact O-CG2 3.46Å; T8-V75 PolarHBondContact O-N 2.82Å; V31-V75 HydrophobicContact CG1-CG2 4.42Å; F35-V75 HydrophobicContact CB-CG1 4.36Å; F35-V75 HydrophobicContact CB-CG2 4.01Å; F35-V75 HydrophobicContact CD1-CG2 4.03Å; F35-V75 HydrophobicContact CD2-CG2 3.91Å; F35-V75 HydrophobicContact CE1-CG2 4.48Å; F35-V75 HydrophobicContact CE2-CG2 4.37Å; F35-V75 HydrophobicContact CG-CG2 3.71Å; A38-V75 HydrophobicContact CB-CG1 3.35Å; L41-V75 HydrophobicContact CD2-CB 4.41Å; L41-V75 HydrophobicContact CD2-CG2 3.9Å; V75-Y77 HydrophobicContact CB-CE2 4.19Å; V75-Y77 HydrophobicContact CG1-CD1 4.38Å; V75-Y77 HydrophobicContact CG1-CD2 4.29Å; V75-Y77 HydrophobicContact CG1-CE1 3.9Å; V75-Y77 HydrophobicContact CG1-CE2 3.83Å |
| 76 | N | 84.2 | Confident | 68 | Low | 46 Ų | 46 | 102.7 Ų | 102.7 | 25% | 0.246 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 127.7 | 167.2 | -70.9 | -37.2 | 0 | 0 | 0 | 109.1 | C39 G40 L41 R42 | C39-N76 PolarHBondContact N-O 3.13Å; C39-N76 PolarHBondContact SG-O 3.22Å; G40-N76 PolarHBondContact N-O 3.36Å; G40-N76 PolarHBondContact O-N 3.47Å; L41-N76 PolarHBondContact O-ND2 3.21Å; R42-N76 WeakPolarHBondContact CD-OD1 3.47Å; R42-N76 VanDerWaalsContact CG-OD1 3.22Å; R42-N76 WeakPolarHBondContact CG-OD1 3.49Å; R42-N76 PolarHBondContact NE-OD1 2.86Å; R42-N76 VanDerWaalsContact NE-OD1 3.11Å |
| 77 | Y | 84.5 | Confident | 66.8 | Low | 72 Ų | 72 | 105.5 Ų | 105.5 | 28% | 0.282 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -101.2 | 149.3 | 167.3 | -63.3 | -75 | 0 | 0 | 0 | 109.7 | E9 G37 A38 C39 V75 K79 | E9-Y77 HydrophobicContact CG-CE2 4.05Å; E9-Y77 VanDerWaalsContact OE1-CE2 3.22Å; E9-Y77 WeakPolarHBondContact OE1-CE2 3.43Å; E9-Y77 PolarHBondContact OE1-OH 3.5Å; G37-Y77 WeakPolarHBondContact O-CD1 3.48Å; A38-Y77 HydrophobicContact CB-CE1 4.45Å; C39-Y77 VanDerWaalsContact SG-C 3.54Å; V75-Y77 HydrophobicContact CB-CE2 4.19Å; V75-Y77 HydrophobicContact CG1-CD1 4.38Å; V75-Y77 HydrophobicContact CG1-CD2 4.29Å; V75-Y77 HydrophobicContact CG1-CE1 3.9Å; V75-Y77 HydrophobicContact CG1-CE2 3.83Å; Y77-K79 PolarHBondContact O-N 3.07Å |
| 78 | P | 76.6 | Confident | 64.7 | Low | 90 Ų | 90 | 111.1 Ų | 111.1 | 58% | 0.584 | 56% | 0.56 | S | S | * | * | trans | -57.7 | 113.6 | 171.8 | 23.4 | -30.2 | 0 | 0 | 0 | 107.8 | G37 C39 D80 | G37-P78 VanDerWaalsContact O-CD 3.3Å; G37-P78 WeakPolarHBondContact O-CD 3.42Å; C39-P78 VanDerWaalsContact SG-N 3.41Å; P78-D80 PolarHBondContact O-N 3.39Å | ||
| 79 | K | 62.7 | Low | 62.5 | Low | 194 Ų | 194 | 117.1 Ų | 117.1 | 84% | 0.843 | 59% | 0.593 | S | S | * | * | trans | -71.7 | 96.9 | 173.8 | -76.5 | -177.7 | 178.7 | 176.2 | 0 | 107.5 | Y77 N81 | Y77-K79 PolarHBondContact O-N 3.07Å; K79-N81 PolarHBondContact O-N 3.01Å | ||
| 80 | D | 48.3 | Very low | 60.6 | Low | 149 Ų | 149 | 118.3 Ų | 118.3 | 80% | 0.797 | 60% | 0.597 | S | S | * | * | trans | -50.4 | 128.8 | 153.7 | -113.5 | -77.7 | 0 | 0 | 0 | 107.1 | P78 K82 | P78-D80 PolarHBondContact O-N 3.39Å; D80-K82 WeakPolarHBondContact O-CB 3.23Å; D80-K82 PolarHBondContact O-N 2.68Å | ||
| 81 | N | 39.2 | Very low | 58.5 | Low | 169 Ų | 169 | 117.8 Ų | 117.8 | 90% | 0.904 | 60% | 0.603 | S | S | * | * | trans | -64.3 | 77.5 | -167.3 | -144.1 | 43.3 | 0 | 0 | 0 | 110.9 | K79 | K79-N81 PolarHBondContact O-N 3.01Š| ||
| 82 | K | 38.3 | Very low | 56.6 | Low | 183 Ų | 183 | 120.2 Ų | 120.2 | 80% | 0.796 | 62% | 0.624 | S | S | * | * | trans | -101.1 | 104.4 | -175 | -155.7 | 174.4 | -176.2 | -179.7 | 0 | 107.1 | D80 K84 | D80-K82 WeakPolarHBondContact O-CB 3.23Å; D80-K82 PolarHBondContact O-N 2.68Å; K82-K84 PolarHBondContact O-N 3.47Å | ||
| 83 | R | 38 | Very low | 54.4 | Low | 247 Ų | 247 | 121.6 Ų | 121.6 | 93% | 0.932 | 64% | 0.642 | S | S | * | * | trans | -50.3 | 124.3 | 171.7 | -62.8 | 177.2 | -158.6 | 160.1 | 5.5 | 108.6 | ||||
| 84 | K | 39.5 | Very low | 51.8 | Low | 201 Ų | 201 | 128.4 Ų | 128.4 | 87% | 0.874 | 68% | 0.684 | S | S | * | * | trans | -58.3 | 132.8 | 174.5 | -74.8 | 177.8 | 169.8 | -174.3 | 0 | 110.8 | K82 | K82-K84 PolarHBondContact O-N 3.47Š| ||
| 85 | M | 36.5 | Very low | 49.5 | Very low | 196 Ų | 196 | 137.9 Ų | 137.9 | 97% | 0.966 | 72% | 0.724 | S | S | * | * | trans | -149.4 | 144.1 | 134.7 | -119.2 | 166.6 | 84 | 0 | 0 | 109.2 | ||||
| 86 | D | 40.8 | Very low | 46.8 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | trans | -63.6 | 159.7 | -151.3 | -142.9 | -133.7 | 0 | 0 | 0 | 118 | ||||
| 87 | E | 49.9 | Very low | 44.5 | Very low | 158 Ų | 158 | 150.9 Ų | 150.9 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -55.3 | 148.6 | 175.2 | -73.6 | 178.2 | 67.9 | 0 | 0 | 115 | ||||
| 88 | T | 38.9 | Very low | 42.1 | Very low | 150 Ų | 150 | 155 Ų | 155 | 92% | 0.92 | 80% | 0.802 | S | S | * | * | trans | -144.6 | 127.7 | 130 | -56.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 89 | D | 40.3 | Very low | 40.1 | Very low | 137 Ų | 137 | 154.9 Ų | 154.9 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | trans | -67.2 | 152.4 | -171.6 | -175.9 | -113.1 | 0 | 0 | 0 | 115.3 | ||||
| 90 | A | 38.8 | Very low | 39 | Very low | 81 Ų | 81 | 152.2 Ų | 152.2 | 67% | 0.669 | 81% | 0.809 | S | S | * | * | trans | 144 | 92.8 | 138.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 91 | S | 39.6 | Very low | 38.8 | Very low | 114 Ų | 114 | 148.3 Ų | 148.3 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | 29.5 | 136.7 | 129 | -131.2 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 92 | S | 43.7 | Very low | 39.5 | Very low | 100 Ų | 100 | 148.5 Ų | 148.5 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | cis | -162.7 | 138.3 | 27.6 | -47.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 93 | A | 39.8 | Very low | 40.6 | Very low | 95 Ų | 95 | 141 Ų | 141 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | 44.3 | 104.4 | 140.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 94 | V | 33.7 | Very low | 42.4 | Very low | 143 Ų | 143 | 131 Ų | 131 | 87% | 0.867 | 72% | 0.716 | S | S | * | * | -142.7 | 124 | 115.3 | -173 | 0 | 0 | 0 | 0 | 109.6 | V96 | V94-V96 PolarHBondContact O-N 3.44Š| |||
| 95 | K | 38.2 | Very low | 44.3 | Very low | 206 Ų | 206 | 123.6 Ų | 123.6 | 90% | 0.896 | 69% | 0.686 | S | S | * | * | trans | -65.3 | 117.6 | 172 | -74.6 | 171.5 | 175.4 | 174.6 | 0 | 110.7 | ||||
| 96 | V | 32.3 | Very low | 46.6 | Very low | 109 Ų | 109 | 114.3 Ų | 114.3 | 66% | 0.661 | 64% | 0.64 | S | S | * | * | trans | -138.8 | 116.2 | 139 | -177.1 | 0 | 0 | 0 | 0 | 107.5 | V94 R98 | V94-V96 PolarHBondContact O-N 3.44Å; V96-R98 HydrophobicContact CG1-CG 4.15Å; V96-R98 PolarHBondContact O-N 2.93Å | ||
| 97 | K | 35.7 | Very low | 48.7 | Very low | 215 Ų | 215 | 108 Ų | 108 | 94% | 0.935 | 61% | 0.606 | S | S | * | * | trans | -65.7 | 85.6 | 168.5 | -68.5 | -178.9 | 176.9 | -177.5 | 0 | 108.5 | ||||
| 98 | R | 32.5 | Very low | 50.5 | Low | 158 Ų | 158 | 100.6 Ų | 100.6 | 60% | 0.596 | 57% | 0.571 | S | S | * | * | trans | -101.1 | 133 | 154.9 | -78.5 | 173.9 | 173.3 | 161.7 | -18.2 | 106.1 | V96 V100 E156 | V96-R98 HydrophobicContact CG1-CG 4.15Å; V96-R98 PolarHBondContact O-N 2.93Å; R98-V100 PolarHBondContact O-N 3.21Å; R98-V100 VanDerWaalsContact O-N 3.09Å; R98-E156 IonicContact CZ-OE1 3.68Å; R98-E156 IonicContact CZ-OE2 3.35Å; R98-E156 IonicContact NE-OE1 2.84Å; R98-E156 PolarHBondContact NE-OE1 2.99Å; R98-E156 IonicContact NH1-OE1 3.74Å; R98-E156 PolarHBondContact NH1-OE1 2.85Å; R98-E156 IonicContact NH1-OE2 3.11Å; R98-E156 PolarHBondContact NH1-OE2 3.31Å; R98-E156 IonicContact NH2-OE1 3.99Å; R98-E156 PolarHBondContact NH2-OE1 3.32Å; R98-E156 VanDerWaalsContact NH2-OE1 3.11Å | ||
| 99 | A | 35.8 | Very low | 52.6 | Low | 89 Ų | 89 | 96.7 Ų | 96.7 | 74% | 0.736 | 55% | 0.545 | S | S | * | . | trans | -43 | 124.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | Q101 | A99-Q101 PolarHBondContact O-N 2.84Š| ||
| 100 | V | 38.3 | Very low | 54.6 | Low | 137 Ų | 137 | 91.4 Ų | 91.4 | 83% | 0.83 | 52% | 0.523 | S | S | * | . | trans | -69.5 | 81.9 | 177 | -179.8 | 0 | 0 | 0 | 0 | 106.5 | R98 K102 | R98-V100 PolarHBondContact O-N 3.21Å; R98-V100 VanDerWaalsContact O-N 3.09Å; V100-K102 PolarHBondContact O-N 2.88Å | ||
| 101 | Q | 46.1 | Very low | 56.9 | Low | 67 Ų | 67 | 87.7 Ų | 87.7 | 31% | 0.313 | 49% | 0.491 | S | S | . | . | trans | -58.8 | 110.9 | 164.9 | -81.5 | 176.3 | -36.6 | 0 | 0 | 105.4 | A99 T103 Y155 E216 | A99-Q101 PolarHBondContact O-N 2.84Å; Q101-T103 PolarHBondContact O-N 3.29Å; Q101-T103 VanDerWaalsContact O-N 3.16Å; Q101-Y155 HydrophobicContact CB-CD1 4.12Å; Q101-Y155 HydrophobicContact CB-CD2 3.66Å; Q101-Y155 HydrophobicContact CB-CE2 4.12Å; Q101-Y155 HydrophobicContact CB-CG 3.64Å; Q101-E216 VanDerWaalsContact NE2-CD 3.32Å; Q101-E216 PolarHBondContact NE2-OE1 2.73Å; Q101-E216 VanDerWaalsContact NE2-OE1 3.09Å; Q101-E216 PolarHBondContact NE2-OE2 2.63Å | ||
| 102 | K | 53.9 | Low | 59 | Low | 174 Ų | 174 | 82.8 Ų | 82.8 | 76% | 0.757 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 121.6 | 178.1 | -72.3 | 179.4 | -179.4 | 174 | 0 | 108.4 | V100 S104 | V100-K102 PolarHBondContact O-N 2.88Å; K102-S104 PolarHBondContact O-N 3.39Å |
| 103 | T | 60.8 | Low | 61 | Low | 25 Ų | 25 | 87.4 Ų | 87.4 | 15% | 0.153 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 130.3 | 173.3 | 51.6 | 0 | 0 | 0 | 0 | 110 | Q101 F152 T153 | Q101-T103 PolarHBondContact O-N 3.29Å; Q101-T103 VanDerWaalsContact O-N 3.16Å; T103-F152 VanDerWaalsContact CB-O 3.26Å; T103-F152 WeakPolarHBondContact CB-O 3.43Å; T103-F152 WeakPolarHBondContact CG2-O 3.41Å; T103-F152 PolarHBondContact OG1-O 3.43Å; T103-T153 WeakPolarHBondContact CG2-O 3.19Å |
| 104 | S | 75 | Confident | 63.1 | Low | 37 Ų | 37 | 90.1 Ų | 90.1 | 26% | 0.259 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -93.2 | 155 | 175.6 | -65.5 | 0 | 0 | 0 | 0 | 110.6 | K102 L106 Q158 | K102-S104 PolarHBondContact O-N 3.39Å; S104-L106 PolarHBondContact O-N 2.89Å; S104-Q158 PolarHBondContact O-OE1 2.77Å |
| 105 | D | 80.6 | Confident | 65.5 | Low | 46 Ų | 46 | 83.5 Ų | 83.5 | 25% | 0.246 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 120.1 | 169.9 | -60.4 | -24.5 | 0 | 0 | 0 | 108.4 | M132 F149 R151 P178 | D105-M132 HydrophobicContact CB-CE 4.13Å; D105-M132 WeakPolarHBondContact OD1-CE 3.43Å; D105-M132 WeakPolarHBondContact OD2-CE 3.42Å; D105-F149 HydrophobicContact CB-CD1 4.33Å; D105-R151 VanDerWaalsContact CG-NH2 3.26Å; D105-R151 IonicContact OD1-CZ 3.76Å; D105-R151 IonicContact OD1-NE 3.58Å; D105-R151 PolarHBondContact OD1-NE 3.4Å; D105-R151 IonicContact OD1-NH2 3.25Å; D105-R151 PolarHBondContact OD1-NH2 3.45Å; D105-R151 IonicContact OD2-NH2 3.53Å; D105-R151 PolarHBondContact OD2-NH2 3.16Å; D105-R151 VanDerWaalsContact OD2-NH2 3.07Å; D105-P178 WeakPolarHBondContact O-CD 3.48Å; D105-P178 WeakPolarHBondContact O-CG 3.45Å |
| 106 | L | 83.4 | Confident | 67.9 | Low | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 137.3 | 170.3 | -61.5 | -174.7 | 0 | 0 | 0 | 109.4 | S104 F149 V150 F152 Q158 V161 M162 C175 K176 L177 | S104-L106 PolarHBondContact O-N 2.89Å; L106-F149 CarbonylContact O-C 3.59Å; L106-F149 WeakPolarHBondContact O-CA 3.46Å; L106-V150 HydrophobicContact CB-CG1 3.85Å; L106-V150 PolarHBondContact N-O 2.83Å; L106-V150 PolarHBondContact O-N 3.47Å; L106-F152 HydrophobicContact CD1-CD2 4.38Å; L106-F152 HydrophobicContact CD1-CE2 4.17Å; L106-Q158 HydrophobicContact CD1-CG 3.63Å; L106-Q158 HydrophobicContact CD2-CG 3.59Å; L106-Q158 HydrophobicContact CG-CG 3.69Å; L106-V161 HydrophobicContact CD1-CB 4.31Å; L106-V161 HydrophobicContact CD1-CG1 3.81Å; L106-M162 HydrophobicContact CD1-CG 3.83Å; L106-M162 HydrophobicContact CD2-CG 3.62Å; L106-M162 HydrophobicContact CD2-SD 3.42Å; L106-M162 WeakPolarHBondContact CD2-SD 3.38Å; L106-M162 HydrophobicContact CG-CG 4.38Å; L106-C175 HydrophobicContact CD1-CB 4.47Å; L106-K176 CarbonylContact C-O 3.58Å; L106-K176 WeakPolarHBondContact CA-O 3.5Å; L106-L177 HydrophobicContact CD2-CD2 3.94Å; L106-L177 HydrophobicContact CD2-CG 4.34Å |
| 107 | I | 85.6 | Confident | 70.5 | Confident | 28 Ų | 28 | 75 Ų | 75 | 14% | 0.144 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 128 | 165.6 | -168.8 | 168.6 | 0 | 0 | 0 | 109.4 | L109 F147 G148 F149 C175 K176 P178 | I107-L109 HydrophobicContact CD1-CD2 3.76Å; I107-L109 HydrophobicContact CG1-CD2 3.9Å; I107-L109 HydrophobicContact CG1-CG 4.28Å; I107-L109 HydrophobicContact CG2-CG 4.46Å; I107-F147 HydrophobicContact CD1-CD2 3.81Å; I107-F147 HydrophobicContact CD1-CE2 4.28Å; I107-F147 HydrophobicContact CG1-CD2 4.09Å; I107-G148 CarbonylContact C-O 3.36Å; I107-G148 WeakPolarHBondContact CA-O 3.48Å; I107-F149 HydrophobicContact CB-CD1 4.23Å; I107-F149 HydrophobicContact CB-CE1 3.97Å; I107-F149 HydrophobicContact CD1-CE1 4.25Å; I107-F149 HydrophobicContact CD1-CZ 4.18Å; I107-F149 HydrophobicContact CG1-CE1 4.12Å; I107-F149 HydrophobicContact CG1-CZ 4.36Å; I107-C175 CarbonylContact O-C 3.58Å; I107-C175 WeakPolarHBondContact O-CA 3.47Å; I107-K176 HydrophobicContact CG2-CB 4.18Å; I107-K176 VanDerWaalsContact CG2-O 3.31Å; I107-K176 WeakPolarHBondContact CG2-O 3.21Å; I107-K176 PolarHBondContact N-O 3.47Å; I107-K176 PolarHBondContact O-N 3.15Å; I107-P178 HydrophobicContact CB-CB 4.12Å; I107-P178 HydrophobicContact CG2-CB 4.17Å |
| 108 | V | 86.8 | Confident | 72.9 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.006 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 112.8 | 174.5 | -169.2 | 0 | 0 | 0 | 0 | 107.7 | L111 L120 F124 F147 G148 V150 I168 C173 | V108-L111 HydrophobicContact CB-CD1 4.3Å; V108-L111 HydrophobicContact CB-CG 4.43Å; V108-L111 HydrophobicContact CG1-CD1 4.34Å; V108-L111 HydrophobicContact CG1-CD2 3.72Å; V108-L111 HydrophobicContact CG1-CG 4Å; V108-L120 HydrophobicContact CG1-CD2 4.49Å; V108-F124 HydrophobicContact CG1-CE2 4.32Å; V108-F124 HydrophobicContact CG1-CZ 4.16Å; V108-F124 HydrophobicContact CG2-CE2 3.79Å; V108-F124 HydrophobicContact CG2-CZ 3.88Å; V108-F147 CarbonylContact O-C 3.45Å; V108-F147 WeakPolarHBondContact O-CA 3.32Å; V108-F147 VanDerWaalsContact O-CB 3.3Å; V108-F147 WeakPolarHBondContact O-CB 3.31Å; V108-G148 PolarHBondContact N-O 3.42Å; V108-G148 PolarHBondContact O-N 2.9Å; V108-V150 HydrophobicContact CG2-CB 4.38Å; V108-V150 HydrophobicContact CG2-CG1 3.67Å; V108-I168 HydrophobicContact CG1-CD1 4.4Å; V108-C173 HydrophobicContact CG1-CB 4.15Å |
| 109 | L | 83.5 | Confident | 75.5 | Confident | 69 Ų | 69 | 65 Ų | 65 | 36% | 0.361 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 145.2 | -176 | -63.9 | 173 | 0 | 0 | 0 | 110.8 | I107 F147 C173 D174 | I107-L109 HydrophobicContact CD1-CD2 3.76Å; I107-L109 HydrophobicContact CG1-CD2 3.9Å; I107-L109 HydrophobicContact CG1-CG 4.28Å; I107-L109 HydrophobicContact CG2-CG 4.46Å; L109-F147 HydrophobicContact CD2-CB 4.02Å; L109-C173 VanDerWaalsContact O-CA 3.27Å; L109-C173 WeakPolarHBondContact O-CA 3.47Å; L109-C173 WeakPolarHBondContact O-CB 3.21Å; L109-D174 PolarHBondContact N-O 3.25Å; L109-D174 PolarHBondContact O-N 2.95Å |
| 110 | G | 81.9 | Confident | 78.1 | Confident | 26 Ų | 26 | 60.8 Ų | 60.8 | 27% | 0.268 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 86.4 | 20 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | G146 R171 C173 | G110-G146 PolarHBondContact N-O 3.47Å; G110-G146 VanDerWaalsContact N-O 3.11Å; G110-R171 WeakPolarHBondContact O-CD 3.35Å; G110-R171 WeakPolarHBondContact O-CG 3.24Å; G110-R171 PolarHBondContact O-NE 3.34Å; G110-C173 PolarHBondContact O-SG 3.29Å; G110-C173 VanDerWaalsContact O-SG 3.41Å |
| 111 | L | 87.4 | Confident | 80.5 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | trans | -64.1 | 139.4 | 178.8 | -68 | 173.7 | 0 | 0 | 0 | 111.9 | V108 T115 L120 G146 I168 C173 | V108-L111 HydrophobicContact CB-CD1 4.3Å; V108-L111 HydrophobicContact CB-CG 4.43Å; V108-L111 HydrophobicContact CG1-CD1 4.34Å; V108-L111 HydrophobicContact CG1-CD2 3.72Å; V108-L111 HydrophobicContact CG1-CG 4Å; L111-T115 HydrophobicContact CD2-CG2 4.5Å; L111-L120 HydrophobicContact CD1-CD1 3.8Å; L111-L120 HydrophobicContact CD1-CD2 4.04Å; L111-L120 HydrophobicContact CD1-CG 4.42Å; L111-L120 HydrophobicContact CD2-CD2 3.68Å; L111-L120 HydrophobicContact CD2-CG 4.47Å; L111-G146 PolarHBondContact N-O 3.48Å; L111-G146 VanDerWaalsContact O-CA 3.29Å; L111-G146 WeakPolarHBondContact O-CA 3.13Å; L111-I168 HydrophobicContact CD2-CD1 3.85Å; L111-I168 HydrophobicContact CD2-CG2 4.46Å; L111-C173 HydrophobicContact CD2-CB 4.47Å | ||
| 112 | P | 83.8 | Confident | 82.4 | Confident | 12 Ų | 12 | 59.6 Ų | 59.6 | 8% | 0.078 | 29% | 0.291 | C | S | . | . | trans | -55.5 | 143.2 | 165.8 | -14.4 | 22.6 | 0 | 0 | 0 | 111.2 | K114 T115 I168 D169 R171 | P112-K114 HydrophobicContact CB-CG 4.07Å; P112-K114 PolarHBondContact O-N 2.88Å; P112-T115 VanDerWaalsContact CB-OG1 3.28Å; P112-T115 WeakPolarHBondContact CB-OG1 3.35Å; P112-T115 VanDerWaalsContact CD-OG1 3.26Å; P112-T115 WeakPolarHBondContact CD-OG1 3.36Å; P112-T115 WeakPolarHBondContact CG-OG1 3.41Å; P112-T115 WeakPolarHBondContact O-CB 3.37Å; P112-T115 PolarHBondContact O-N 2.85Å; P112-T115 VanDerWaalsContact O-N 3.14Å; P112-T115 PolarHBondContact O-OG1 3.49Å; P112-I168 WeakPolarHBondContact CG-O 3.49Å; P112-D169 HydrophobicContact CG-CB 3.98Å; P112-R171 HydrophobicContact CG-CB 3.81Å | ||
| 113 | W | 85.2 | Confident | 84.1 | Confident | 196 Ų | 196 | 54.1 Ų | 54.1 | 74% | 0.742 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -20.5 | -178.4 | -63 | -34.2 | 0 | 0 | 0 | 114.1 | S144 | W113-S144 WeakPolarHBondContact O-CB 3.32Š|
| 114 | K | 84.6 | Confident | 85.4 | Confident | 153 Ų | 153 | 53 Ų | 53 | 67% | 0.665 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -18.7 | 176.6 | 62.4 | 173.5 | -177.8 | 171.8 | 0 | 113.7 | P112 T116 | P112-K114 HydrophobicContact CB-CG 4.07Å; P112-K114 PolarHBondContact O-N 2.88Å; K114-T116 PolarHBondContact O-N 3.15Å |
| 115 | T | 84.3 | Confident | 86 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | trans | -67.5 | 129.8 | -174 | -55.1 | 0 | 0 | 0 | 0 | 110.6 | L111 P112 D119 L120 I168 D169 | L111-T115 HydrophobicContact CD2-CG2 4.5Å; P112-T115 VanDerWaalsContact CB-OG1 3.28Å; P112-T115 WeakPolarHBondContact CB-OG1 3.35Å; P112-T115 VanDerWaalsContact CD-OG1 3.26Å; P112-T115 WeakPolarHBondContact CD-OG1 3.36Å; P112-T115 WeakPolarHBondContact CG-OG1 3.41Å; P112-T115 WeakPolarHBondContact O-CB 3.37Å; P112-T115 PolarHBondContact O-N 2.85Å; P112-T115 VanDerWaalsContact O-N 3.14Å; P112-T115 PolarHBondContact O-OG1 3.49Å; T115-D119 HydrophobicContact CG2-CB 3.98Å; T115-L120 HydrophobicContact CG2-CG 4Å; T115-I168 HydrophobicContact CG2-CG2 3.87Å; T115-D169 PolarHBondContact OG1-OD2 2.93Å | ||
| 116 | T | 87.8 | Confident | 86.3 | Confident | 57 Ų | 57 | 56.7 Ų | 56.7 | 35% | 0.35 | 28% | 0.284 | S | S | . | . | trans | -97 | 170.1 | -179.9 | 72 | 0 | 0 | 0 | 0 | 112.2 | K114 Q118 D119 L120 | K114-T116 PolarHBondContact O-N 3.15Å; T116-Q118 PolarHBondContact O-N 3.47Å; T116-Q118 PolarHBondContact OG1-N 3.32Å; T116-D119 VanDerWaalsContact CB-OD2 3.3Å; T116-D119 WeakPolarHBondContact CB-OD2 3.43Å; T116-D119 PolarHBondContact N-OD2 3.19Å; T116-D119 PolarHBondContact O-N 3.01Å; T116-D119 VanDerWaalsContact OG1-CG 3.24Å; T116-D119 PolarHBondContact OG1-N 3.37Å; T116-D119 PolarHBondContact OG1-OD2 3.49Å; T116-L120 PolarHBondContact O-N 3.34Å | ||
| 117 | E | 87.6 | Confident | 86.1 | Confident | 78 Ų | 78 | 58.9 Ų | 58.9 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.1 | -32.5 | 173.5 | -71.4 | 165.6 | 136.7 | 0 | 0 | 111.7 | K121 V133 Q134 V135 | E117-K121 WeakPolarHBondContact O-CB 3.41Å; E117-K121 PolarHBondContact O-N 3.09Å; E117-V133 HydrophobicContact CB-CG1 4.24Å; E117-V133 HydrophobicContact CG-CG1 4.44Å; E117-V133 WeakPolarHBondContact O-CG1 3.25Å; E117-Q134 VanDerWaalsContact OE1-CA 3.29Å; E117-Q134 WeakPolarHBondContact OE1-CA 3.26Å; E117-V135 HydrophobicContact CB-CG2 4.45Å; E117-V135 HydrophobicContact CG-CB 3.77Å; E117-V135 HydrophobicContact CG-CG2 3.57Å; E117-V135 VanDerWaalsContact CG-N 3.33Å; E117-V135 PolarHBondContact OE1-N 2.94Å |
| 118 | Q | 86.3 | Confident | 85.9 | Confident | 102 Ų | 102 | 58.4 Ų | 58.4 | 48% | 0.477 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.2 | -46.4 | 177 | -170.3 | 60.2 | 45.5 | 0 | 0 | 111 | T116 L120 K121 D122 | T116-Q118 PolarHBondContact O-N 3.47Å; T116-Q118 PolarHBondContact OG1-N 3.32Å; Q118-L120 VanDerWaalsContact C-N 3.27Å; Q118-L120 PolarHBondContact O-N 2.78Å; Q118-K121 WeakPolarHBondContact O-CA 3.23Å; Q118-K121 WeakPolarHBondContact O-CB 3.46Å; Q118-K121 PolarHBondContact O-N 3.36Å; Q118-D122 PolarHBondContact NE2-OD1 2.96Å; Q118-D122 PolarHBondContact NE2-OD2 2.97Å; Q118-D122 VanDerWaalsContact O-CG 3.27Å; Q118-D122 PolarHBondContact O-N 2.69Å |
| 119 | D | 87.6 | Confident | 85.6 | Confident | 61 Ų | 61 | 64.8 Ų | 64.8 | 33% | 0.326 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 177.9 | -58.5 | -54.9 | 0 | 0 | 0 | 111.7 | T115 T116 Y123 | T115-D119 HydrophobicContact CG2-CB 3.98Å; T116-D119 VanDerWaalsContact CB-OD2 3.3Å; T116-D119 WeakPolarHBondContact CB-OD2 3.43Å; T116-D119 PolarHBondContact N-OD2 3.19Å; T116-D119 PolarHBondContact O-N 3.01Å; T116-D119 VanDerWaalsContact OG1-CG 3.24Å; T116-D119 PolarHBondContact OG1-N 3.37Å; T116-D119 PolarHBondContact OG1-OD2 3.49Å; D119-Y123 VanDerWaalsContact O-CB 3.3Å; D119-Y123 WeakPolarHBondContact O-CB 3.34Å; D119-Y123 PolarHBondContact O-N 2.76Å |
| 120 | L | 89 | Confident | 85.7 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 174.2 | -83.2 | 163.5 | 0 | 0 | 0 | 112 | V108 L111 T115 T116 Q118 F124 V133 V135 I168 | V108-L120 HydrophobicContact CG1-CD2 4.49Å; L111-L120 HydrophobicContact CD1-CD1 3.8Å; L111-L120 HydrophobicContact CD1-CD2 4.04Å; L111-L120 HydrophobicContact CD1-CG 4.42Å; L111-L120 HydrophobicContact CD2-CD2 3.68Å; L111-L120 HydrophobicContact CD2-CG 4.47Å; T115-L120 HydrophobicContact CG2-CG 4Å; T116-L120 PolarHBondContact O-N 3.34Å; Q118-L120 VanDerWaalsContact C-N 3.27Å; Q118-L120 PolarHBondContact O-N 2.78Å; L120-F124 HydrophobicContact CB-CD2 4.48Å; L120-F124 HydrophobicContact CD2-CD2 4.01Å; L120-F124 HydrophobicContact CD2-CE2 3.52Å; L120-F124 WeakPolarHBondContact O-CB 3.42Å; L120-F124 WeakPolarHBondContact O-CD2 3.38Å; L120-F124 PolarHBondContact O-N 3.49Å; L120-V133 HydrophobicContact CB-CG1 3.53Å; L120-V133 HydrophobicContact CD1-CG1 3.84Å; L120-V133 HydrophobicContact CG-CG1 4.34Å; L120-V135 HydrophobicContact CD1-CG2 3.23Å; L120-I168 HydrophobicContact CD2-CD1 4.04Å |
| 121 | K | 88.5 | Confident | 85.5 | Confident | 94 Ų | 94 | 65.6 Ų | 65.6 | 41% | 0.409 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.8 | -48.3 | 178.1 | -172.6 | 179.3 | 179 | -177.1 | 0 | 110.4 | E117 Q118 Y123 F124 S125 V133 | E117-K121 WeakPolarHBondContact O-CB 3.41Å; E117-K121 PolarHBondContact O-N 3.09Å; Q118-K121 WeakPolarHBondContact O-CA 3.23Å; Q118-K121 WeakPolarHBondContact O-CB 3.46Å; Q118-K121 PolarHBondContact O-N 3.36Å; K121-Y123 PolarHBondContact O-N 2.91Å; K121-F124 PolarHBondContact O-N 3.41Å; K121-S125 WeakPolarHBondContact O-CB 3.36Å; K121-S125 PolarHBondContact O-N 3.36Å; K121-S125 PolarHBondContact O-OG 3.05Å; K121-V133 HydrophobicContact CB-CG2 3.88Å; K121-V133 HydrophobicContact CG-CG2 4.33Å |
| 122 | D | 87.9 | Confident | 85.1 | Confident | 86 Ų | 86 | 68.4 Ų | 68.4 | 46% | 0.46 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | -178.7 | -64.2 | -26.1 | 0 | 0 | 0 | 111 | Q118 | Q118-D122 PolarHBondContact NE2-OD1 2.96Å; Q118-D122 PolarHBondContact NE2-OD2 2.97Å; Q118-D122 VanDerWaalsContact O-CG 3.27Å; Q118-D122 PolarHBondContact O-N 2.69Å |
| 123 | Y | 88.3 | Confident | 85.3 | Confident | 59 Ų | 59 | 69.2 Ų | 69.2 | 23% | 0.231 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.5 | -49.7 | 175.4 | -179.9 | -95.3 | 0 | 0 | 0 | 112.2 | D119 K121 S125 T126 F127 H166 M167 I168 | D119-Y123 VanDerWaalsContact O-CB 3.3Å; D119-Y123 WeakPolarHBondContact O-CB 3.34Å; D119-Y123 PolarHBondContact O-N 2.76Å; K121-Y123 PolarHBondContact O-N 2.91Å; Y123-S125 VanDerWaalsContact C-N 3.33Å; Y123-S125 PolarHBondContact O-N 2.89Å; Y123-T126 WeakPolarHBondContact O-CB 3.38Å; Y123-T126 WeakPolarHBondContact O-CG2 3.49Å; Y123-T126 PolarHBondContact O-N 3.3Å; Y123-T126 PolarHBondContact O-OG1 3.09Å; Y123-F127 HydrophobicContact CD1-CE2 4.22Å; Y123-F127 AromaticContact CE1-CE2 3.68Å; Y123-F127 HydrophobicContact CE1-CE2 3.68Å; Y123-F127 HydrophobicContact CE1-CZ 4.38Å; Y123-F127 AromaticContact CZ-CE2 3.97Å; Y123-H166 HydrophobicContact CE1-CB 3.66Å; Y123-H166 AromaticContact CE1-CG 3.82Å; Y123-H166 AromaticContact CE1-ND1 3.45Å; Y123-H166 WeakPolarHBondContact CE1-ND1 3.04Å; Y123-H166 AromaticContact CZ-ND1 3.82Å; Y123-H166 WeakPolarHBondContact OH-CA 3.45Å; Y123-H166 VanDerWaalsContact OH-CB 3.27Å; Y123-H166 WeakPolarHBondContact OH-CB 3.37Å; Y123-H166 PolarHBondContact OH-ND1 3.37Å; Y123-M167 WeakPolarHBondContact CE2-O 3.32Å; Y123-M167 PolarHBondContact OH-N 2.86Å; Y123-I168 HydrophobicContact CD1-CD1 3.92Å; Y123-I168 HydrophobicContact CD1-CG1 3.86Å; Y123-I168 HydrophobicContact CD2-CG1 4.37Å; Y123-I168 HydrophobicContact CE1-CD1 4.03Å; Y123-I168 HydrophobicContact CE1-CG1 3.82Å; Y123-I168 HydrophobicContact CE2-CG1 4.33Å; Y123-I168 HydrophobicContact CG-CG1 4.14Å |
| 124 | F | 88.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -73.8 | -23.8 | -176.5 | -77.8 | -59.6 | 0 | 0 | 0 | 113.7 | V108 L120 K121 T126 F127 G128 V130 V150 F152 V161 H166 I168 C175 | V108-F124 HydrophobicContact CG1-CE2 4.32Å; V108-F124 HydrophobicContact CG1-CZ 4.16Å; V108-F124 HydrophobicContact CG2-CE2 3.79Å; V108-F124 HydrophobicContact CG2-CZ 3.88Å; L120-F124 HydrophobicContact CB-CD2 4.48Å; L120-F124 HydrophobicContact CD2-CD2 4.01Å; L120-F124 HydrophobicContact CD2-CE2 3.52Å; L120-F124 WeakPolarHBondContact O-CB 3.42Å; L120-F124 WeakPolarHBondContact O-CD2 3.38Å; L120-F124 PolarHBondContact O-N 3.49Å; K121-F124 PolarHBondContact O-N 3.41Å; F124-T126 PolarHBondContact O-N 3.37Å; F124-T126 VanDerWaalsContact O-N 3.15Å; F124-F127 HydrophobicContact CD1-CD2 4.13Å; F124-F127 HydrophobicContact CD1-CE2 4.47Å; F124-F127 PolarHBondContact O-N 3.35Å; F124-G128 PolarHBondContact O-N 2.86Å; F124-V130 HydrophobicContact CB-CG2 3.72Å; F124-V150 HydrophobicContact CB-CG2 4.18Å; F124-V150 HydrophobicContact CD2-CB 4.28Å; F124-V150 HydrophobicContact CD2-CG1 4.31Å; F124-V150 HydrophobicContact CD2-CG2 4.01Å; F124-V150 HydrophobicContact CE2-CG1 4.24Å; F124-V150 HydrophobicContact CG-CG2 4.13Å; F124-V150 HydrophobicContact CZ-CG1 4.48Å; F124-F152 HydrophobicContact CB-CE1 3.98Å; F124-F152 HydrophobicContact CB-CZ 3.73Å; F124-F152 HydrophobicContact CD1-CE2 4.47Å; F124-F152 AromaticContact CD1-CZ 3.67Å; F124-F152 HydrophobicContact CD1-CZ 3.67Å; F124-F152 AromaticContact CG-CZ 3.89Å; F124-F152 HydrophobicContact CG-CZ 3.89Å; F124-V161 HydrophobicContact CD1-CG1 4.24Å; F124-V161 HydrophobicContact CD1-CG2 4.48Å; F124-V161 HydrophobicContact CE1-CG1 3.75Å; F124-H166 AromaticContact CE1-ND1 3.96Å; F124-I168 HydrophobicContact CE2-CD1 4.14Å; F124-I168 HydrophobicContact CZ-CD1 4.12Å; F124-C175 VanDerWaalsContact CZ-SG 3.57Å |
| 125 | S | 86.9 | Confident | 85.4 | Confident | 56 Ų | 56 | 56.9 Ų | 56.9 | 39% | 0.392 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19 | 173.5 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | K121 Y123 F127 G128 | K121-S125 WeakPolarHBondContact O-CB 3.36Å; K121-S125 PolarHBondContact O-N 3.36Å; K121-S125 PolarHBondContact O-OG 3.05Å; Y123-S125 VanDerWaalsContact C-N 3.33Å; Y123-S125 PolarHBondContact O-N 2.89Å; S125-F127 VanDerWaalsContact C-N 3.25Å; S125-F127 PolarHBondContact O-N 2.76Å; S125-G128 WeakPolarHBondContact CA-O 3.34Å |
| 126 | T | 86.4 | Confident | 85.4 | Confident | 105 Ų | 105 | 60.1 Ų | 60.1 | 64% | 0.644 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -20.1 | 173.1 | 68 | 0 | 0 | 0 | 0 | 113.6 | Y123 F124 | Y123-T126 WeakPolarHBondContact O-CB 3.38Å; Y123-T126 WeakPolarHBondContact O-CG2 3.49Å; Y123-T126 PolarHBondContact O-N 3.3Å; Y123-T126 PolarHBondContact O-OG1 3.09Å; F124-T126 PolarHBondContact O-N 3.37Å; F124-T126 VanDerWaalsContact O-N 3.15Å |
| 127 | F | 79.8 | Confident | 85.3 | Confident | 47 Ų | 47 | 62.1 Ų | 62.1 | 21% | 0.206 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -30.6 | 179.3 | -63.2 | -82.9 | 0 | 0 | 0 | 112.5 | Y123 F124 S125 T157 V161 H166 | Y123-F127 HydrophobicContact CD1-CE2 4.22Å; Y123-F127 AromaticContact CE1-CE2 3.68Å; Y123-F127 HydrophobicContact CE1-CE2 3.68Å; Y123-F127 HydrophobicContact CE1-CZ 4.38Å; Y123-F127 AromaticContact CZ-CE2 3.97Å; F124-F127 HydrophobicContact CD1-CD2 4.13Å; F124-F127 HydrophobicContact CD1-CE2 4.47Å; F124-F127 PolarHBondContact O-N 3.35Å; S125-F127 VanDerWaalsContact C-N 3.25Å; S125-F127 PolarHBondContact O-N 2.76Å; F127-T157 HydrophobicContact CB-CG2 3.99Å; F127-V161 HydrophobicContact CB-CG2 3.86Å; F127-V161 HydrophobicContact CD1-CG2 4.26Å; F127-V161 HydrophobicContact CD2-CG2 4.34Å; F127-V161 HydrophobicContact CG-CG2 3.88Å; F127-H166 AromaticContact CE2-CE1 3.98Å; F127-H166 AromaticContact CE2-ND1 3.76Å; F127-H166 AromaticContact CZ-CE1 3.79Å; F127-H166 AromaticContact CZ-ND1 3.64Å |
| 128 | G | 81.8 | Confident | 84.7 | Confident | 18 Ų | 18 | 60.8 Ų | 60.8 | 19% | 0.186 | 31% | 0.308 | C | S | . | . | S | Bend | trans | 168.3 | 179.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | F124 S125 V130 | F124-G128 PolarHBondContact O-N 2.86Å; S125-G128 WeakPolarHBondContact CA-O 3.34Å; G128-V130 PolarHBondContact O-N 3.03Å |
| 129 | E | 80.8 | Confident | 84.1 | Confident | 134 Ų | 134 | 64.1 Ų | 64.1 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | trans | -68.7 | 127.2 | -175.9 | -175.9 | -176.8 | -178.8 | 0 | 0 | 111.8 | F152 T153 | E129-F152 WeakPolarHBondContact O-CA 3.42Å; E129-T153 HydrophobicContact CB-CG2 3.87Å; E129-T153 WeakPolarHBondContact CB-OG1 3.47Å; E129-T153 HydrophobicContact CG-CG2 3.7Å; E129-T153 PolarHBondContact O-N 3.28Å; E129-T153 PolarHBondContact O-OG1 3.06Å | ||
| 130 | V | 84.8 | Confident | 83.4 | Confident | 14 Ų | 14 | 70.8 Ų | 70.8 | 9% | 0.085 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 112.8 | -177.2 | -177 | 0 | 0 | 0 | 0 | 109.7 | F124 G128 M132 V133 V150 R151 F152 | F124-V130 HydrophobicContact CB-CG2 3.72Å; G128-V130 PolarHBondContact O-N 3.03Å; V130-M132 WeakPolarHBondContact CG1-O 3.49Å; V130-V133 HydrophobicContact CG1-CG2 3.44Å; V130-V133 VanDerWaalsContact CG1-CG2 3.44Å; V130-V150 HydrophobicContact CG1-CG2 3.67Å; V130-V150 HydrophobicContact CG2-CG2 4.47Å; V130-R151 CarbonylContact C-O 3.56Å; V130-F152 HydrophobicContact CG2-CD1 4.03Å; V130-F152 HydrophobicContact CG2-CE1 3.67Å; V130-F152 HydrophobicContact CG2-CZ 4.44Å |
| 131 | L | 78.5 | Confident | 82.9 | Confident | 99 Ų | 99 | 74.9 Ų | 74.9 | 52% | 0.518 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | -43.5 | 175.7 | -76 | 178.6 | 0 | 0 | 0 | 112.3 | R151 F152 T153 | L131-R151 HydrophobicContact CB-CB 4.26Å; L131-R151 HydrophobicContact CB-CG 4.16Å; L131-R151 HydrophobicContact CD1-CG 4.07Å; L131-R151 PolarHBondContact N-O 3.08Å; L131-F152 WeakPolarHBondContact CD1-O 3.46Å; L131-T153 HydrophobicContact CD1-CG2 4.29Å; L131-T153 HydrophobicContact CD2-CG2 3.54Å; L131-T153 HydrophobicContact CG-CG2 3.56Å |
| 132 | M | 78.9 | Confident | 82.3 | Confident | 61 Ų | 61 | 72.7 Ų | 72.7 | 30% | 0.3 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 147.1 | -177.3 | 93.8 | -169.7 | -164.9 | 0 | 0 | 111.7 | D105 V130 V150 R151 | D105-M132 HydrophobicContact CB-CE 4.13Å; D105-M132 WeakPolarHBondContact OD1-CE 3.43Å; D105-M132 WeakPolarHBondContact OD2-CE 3.42Å; V130-M132 WeakPolarHBondContact CG1-O 3.49Å; M132-V150 CarbonylContact O-C 3.52Å; M132-V150 WeakPolarHBondContact O-CA 3.48Å; M132-R151 HydrophobicContact CB-CB 4.41Å; M132-R151 HydrophobicContact CE-CB 4.39Å; M132-R151 HydrophobicContact CG-CB 3.64Å; M132-R151 PolarHBondContact N-O 3.18Å; M132-R151 PolarHBondContact O-N 3.5Å; M132-R151 HydrophobicContact SD-CB 4.11Å |
| 133 | V | 87.2 | Confident | 81.7 | Confident | 29 Ų | 29 | 75 Ų | 75 | 18% | 0.176 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 138.3 | 169 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | E117 L120 K121 V130 F149 V150 | E117-V133 HydrophobicContact CB-CG1 4.24Å; E117-V133 HydrophobicContact CG-CG1 4.44Å; E117-V133 WeakPolarHBondContact O-CG1 3.25Å; L120-V133 HydrophobicContact CB-CG1 3.53Å; L120-V133 HydrophobicContact CD1-CG1 3.84Å; L120-V133 HydrophobicContact CG-CG1 4.34Å; K121-V133 HydrophobicContact CB-CG2 3.88Å; K121-V133 HydrophobicContact CG-CG2 4.33Å; V130-V133 HydrophobicContact CG1-CG2 3.44Å; V130-V133 VanDerWaalsContact CG1-CG2 3.44Å; V133-F149 CarbonylContact C-O 3.58Å; V133-F149 VanDerWaalsContact CA-O 3.31Å; V133-F149 WeakPolarHBondContact CA-O 3.45Å; V133-V150 HydrophobicContact CG2-CG2 4.23Å |
| 134 | Q | 85.1 | Confident | 81.4 | Confident | 82 Ų | 82 | 72.8 Ų | 72.8 | 38% | 0.383 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 118.9 | 174 | -173.7 | 175.2 | 68.9 | 0 | 0 | 112 | E117 K136 G148 F149 | E117-Q134 VanDerWaalsContact OE1-CA 3.29Å; E117-Q134 WeakPolarHBondContact OE1-CA 3.26Å; Q134-K136 VanDerWaalsContact OE1-CE 3.27Å; Q134-G148 CarbonylContact O-C 3.5Å; Q134-G148 WeakPolarHBondContact O-CA 3.36Å; Q134-F149 HydrophobicContact CB-CB 4.47Å; Q134-F149 PolarHBondContact N-O 3.48Å; Q134-F149 PolarHBondContact O-N 2.94Å |
| 135 | V | 87.9 | Confident | 81 | Confident | 8 Ų | 8 | 77.7 Ų | 77.7 | 5% | 0.048 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 125.3 | 173.2 | 175.7 | 0 | 0 | 0 | 0 | 109 | E117 L120 K137 | E117-V135 HydrophobicContact CB-CG2 4.45Å; E117-V135 HydrophobicContact CG-CB 3.77Å; E117-V135 HydrophobicContact CG-CG2 3.57Å; E117-V135 VanDerWaalsContact CG-N 3.33Å; E117-V135 PolarHBondContact OE1-N 2.94Å; L120-V135 HydrophobicContact CD1-CG2 3.23Å; V135-K137 HydrophobicContact CG1-CG 4.2Å; V135-K137 PolarHBondContact O-N 3.06Å |
| 136 | K | 84.4 | Confident | 80.7 | Confident | 72 Ų | 72 | 75.5 Ų | 75.5 | 31% | 0.313 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 113.7 | 175.5 | -70.8 | -55.8 | -168.5 | -171.6 | 0 | 110.1 | Q134 K145 F147 F149 | Q134-K136 VanDerWaalsContact OE1-CE 3.27Å; K136-K145 WeakPolarHBondContact O-CB 3.48Å; K136-K145 PolarHBondContact O-N 3.32Å; K136-F147 HydrophobicContact CB-CD2 4.18Å; K136-F147 HydrophobicContact CB-CE1 4.11Å; K136-F147 HydrophobicContact CB-CE2 3.65Å; K136-F147 HydrophobicContact CB-CZ 3.59Å; K136-F147 HydrophobicContact CG-CD2 4.2Å; K136-F147 HydrophobicContact CG-CE2 3.49Å; K136-F147 VanDerWaalsContact CG-CE2 3.49Å; K136-F147 HydrophobicContact CG-CZ 3.81Å; K136-F147 PolarHBondContact N-O 3.35Å; K136-F147 VanDerWaalsContact N-O 3.08Å; K136-F149 HydrophobicContact CD-CE2 4.33Å; K136-F149 HydrophobicContact CG-CD2 4.11Å; K136-F149 HydrophobicContact CG-CE2 3.74Å |
| 137 | K | 84.5 | Confident | 80.6 | Confident | 99 Ų | 99 | 72.8 Ų | 72.8 | 43% | 0.43 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 154.3 | 172.9 | -59.5 | 175.4 | -175.2 | 174.2 | 0 | 110.1 | V135 H143 | V135-K137 HydrophobicContact CG1-CG 4.2Å; V135-K137 PolarHBondContact O-N 3.06Å; K137-H143 CarbonylContact C-O 3.55Å; K137-H143 VanDerWaalsContact CA-O 3.31Å; K137-H143 WeakPolarHBondContact CA-O 3.33Å |
| 138 | D | 75.9 | Confident | 81.1 | Confident | 49 Ų | 49 | 70.5 Ų | 70.5 | 26% | 0.262 | 36% | 0.362 | S | S | . | . | trans | -72.5 | 130.9 | 171.1 | -161.5 | -83.3 | 0 | 0 | 0 | 110.4 | K140 G142 H143 K145 | D138-K140 PolarHBondContact O-N 2.78Å; D138-K140 WeakPolarHBondContact OD1-CB 3.41Å; D138-K140 PolarHBondContact OD1-N 3.33Å; D138-G142 WeakPolarHBondContact O-CA 3.46Å; D138-G142 PolarHBondContact O-N 2.86Å; D138-H143 PolarHBondContact N-O 3.09Å; D138-K145 VanDerWaalsContact CA-CE 3.44Å; D138-K145 WeakPolarHBondContact OD2-CE 3.26Å; D138-K145 IonicContact OD2-NZ 4Å; D138-K145 PolarHBondContact OD2-NZ 3.34Å | ||
| 139 | L | 72.6 | Confident | 81.4 | Confident | 173 Ų | 173 | 71.2 Ų | 71.2 | 91% | 0.906 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -22.2 | -176.1 | -75.1 | 89 | 0 | 0 | 0 | 112.7 | ||
| 140 | K | 74.7 | Confident | 81.8 | Confident | 200 Ų | 200 | 64.9 Ų | 64.9 | 87% | 0.87 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -37.5 | -177.9 | -63.7 | -174.1 | 178.7 | -175 | 0 | 112.3 | D138 | D138-K140 PolarHBondContact O-N 2.78Å; D138-K140 WeakPolarHBondContact OD1-CB 3.41Å; D138-K140 PolarHBondContact OD1-N 3.33Å |
| 141 | T | 78.4 | Confident | 81.7 | Confident | 87 Ų | 87 | 68.4 Ų | 68.4 | 53% | 0.534 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -14.2 | -175.4 | 65 | 0 | 0 | 0 | 0 | 113.4 | H143 | T141-H143 PolarHBondContact O-CD2 2.77Å; T141-H143 PolarHBondContact O-N 3.29Å; T141-H143 VanDerWaalsContact O-N 3.15Å; T141-H143 PolarHBondContact OG1-N 3.16Å |
| 142 | G | 74.5 | Confident | 82.1 | Confident | 48 Ų | 48 | 63.7 Ų | 63.7 | 50% | 0.495 | 32% | 0.317 | S | S | . | . | trans | 70.8 | -2.1 | -173 | 0 | 0 | 0 | 0 | 0 | 114.1 | D138 | D138-G142 WeakPolarHBondContact O-CA 3.46Å; D138-G142 PolarHBondContact O-N 2.86Å | ||
| 143 | H | 76.2 | Confident | 82 | Confident | 135 Ų | 135 | 63 Ų | 63 | 63% | 0.625 | 32% | 0.317 | S | S | * | . | trans | -76.1 | 142.1 | -176.6 | -69.4 | -160.3 | 0 | 0 | 0 | 111.1 | K137 D138 T141 | K137-H143 CarbonylContact C-O 3.55Å; K137-H143 VanDerWaalsContact CA-O 3.31Å; K137-H143 WeakPolarHBondContact CA-O 3.33Å; D138-H143 PolarHBondContact N-O 3.09Å; T141-H143 PolarHBondContact O-CD2 2.77Å; T141-H143 PolarHBondContact O-N 3.29Å; T141-H143 VanDerWaalsContact O-N 3.15Å; T141-H143 PolarHBondContact OG1-N 3.16Å | ||
| 144 | S | 82.3 | Confident | 81.5 | Confident | 13 Ų | 13 | 66.6 Ų | 66.6 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 137.9 | 175.3 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | W113 G146 | W113-S144 WeakPolarHBondContact O-CB 3.32Å; S144-G146 PolarHBondContact O-N 2.95Å; S144-G146 PolarHBondContact OG-N 3.35Å |
| 145 | K | 79.3 | Confident | 81 | Confident | 103 Ų | 103 | 65.1 Ų | 65.1 | 45% | 0.448 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 4 | 173.7 | -61.4 | -164.4 | 177.3 | -156.2 | 0 | 112.8 | K136 D138 F147 | K136-K145 WeakPolarHBondContact O-CB 3.48Å; K136-K145 PolarHBondContact O-N 3.32Å; D138-K145 VanDerWaalsContact CA-CE 3.44Å; D138-K145 WeakPolarHBondContact OD2-CE 3.26Å; D138-K145 IonicContact OD2-NZ 4Å; D138-K145 PolarHBondContact OD2-NZ 3.34Å; K145-F147 VanDerWaalsContact C-N 3.28Å; K145-F147 HydrophobicContact CB-CD1 3.61Å; K145-F147 HydrophobicContact CB-CE1 3.41Å; K145-F147 VanDerWaalsContact CB-CE1 3.41Å; K145-F147 HydrophobicContact CB-CZ 4.46Å; K145-F147 HydrophobicContact CD-CE1 4.02Å; K145-F147 HydrophobicContact CG-CE1 4.28Å; K145-F147 PolarHBondContact O-N 3Å |
| 146 | G | 79.9 | Confident | 80.4 | Confident | 10 Ų | 10 | 69.6 Ų | 69.6 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 71.5 | 22.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G110 L111 S144 | G110-G146 PolarHBondContact N-O 3.47Å; G110-G146 VanDerWaalsContact N-O 3.11Å; L111-G146 PolarHBondContact N-O 3.48Å; L111-G146 VanDerWaalsContact O-CA 3.29Å; L111-G146 WeakPolarHBondContact O-CA 3.13Å; S144-G146 PolarHBondContact O-N 2.95Å; S144-G146 PolarHBondContact OG-N 3.35Å |
| 147 | F | 86.3 | Confident | 80.2 | Confident | 47 Ų | 47 | 66.6 Ų | 66.6 | 21% | 0.206 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 156.6 | 171.2 | 75.4 | -86.5 | 0 | 0 | 0 | 111.8 | I107 V108 L109 K136 K145 F149 | I107-F147 HydrophobicContact CD1-CD2 3.81Å; I107-F147 HydrophobicContact CD1-CE2 4.28Å; I107-F147 HydrophobicContact CG1-CD2 4.09Å; V108-F147 CarbonylContact O-C 3.45Å; V108-F147 WeakPolarHBondContact O-CA 3.32Å; V108-F147 VanDerWaalsContact O-CB 3.3Å; V108-F147 WeakPolarHBondContact O-CB 3.31Å; L109-F147 HydrophobicContact CD2-CB 4.02Å; K136-F147 HydrophobicContact CB-CD2 4.18Å; K136-F147 HydrophobicContact CB-CE1 4.11Å; K136-F147 HydrophobicContact CB-CE2 3.65Å; K136-F147 HydrophobicContact CB-CZ 3.59Å; K136-F147 HydrophobicContact CG-CD2 4.2Å; K136-F147 HydrophobicContact CG-CE2 3.49Å; K136-F147 VanDerWaalsContact CG-CE2 3.49Å; K136-F147 HydrophobicContact CG-CZ 3.81Å; K136-F147 PolarHBondContact N-O 3.35Å; K136-F147 VanDerWaalsContact N-O 3.08Å; K145-F147 VanDerWaalsContact C-N 3.28Å; K145-F147 HydrophobicContact CB-CD1 3.61Å; K145-F147 HydrophobicContact CB-CE1 3.41Å; K145-F147 VanDerWaalsContact CB-CE1 3.41Å; K145-F147 HydrophobicContact CB-CZ 4.46Å; K145-F147 HydrophobicContact CD-CE1 4.02Å; K145-F147 HydrophobicContact CG-CE1 4.28Å; K145-F147 PolarHBondContact O-N 3Å; F147-F149 HydrophobicContact CD2-CE2 4.29Å; F147-F149 AromaticContact CE2-CE2 3.89Å; F147-F149 HydrophobicContact CE2-CE2 3.89Å; F147-F149 HydrophobicContact CE2-CZ 4.23Å |
| 148 | G | 88.5 | Confident | 80 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 179.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I107 V108 Q134 | I107-G148 CarbonylContact C-O 3.36Å; I107-G148 WeakPolarHBondContact CA-O 3.48Å; V108-G148 PolarHBondContact N-O 3.42Å; V108-G148 PolarHBondContact O-N 2.9Å; Q134-G148 CarbonylContact O-C 3.5Å; Q134-G148 WeakPolarHBondContact O-CA 3.36Å |
| 149 | F | 87.8 | Confident | 79.9 | Confident | 33 Ų | 33 | 62.5 Ų | 62.5 | 15% | 0.145 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 143 | 175.8 | -64.9 | -87 | 0 | 0 | 0 | 110.1 | D105 L106 I107 V133 Q134 K136 F147 P178 | D105-F149 HydrophobicContact CB-CD1 4.33Å; L106-F149 CarbonylContact O-C 3.59Å; L106-F149 WeakPolarHBondContact O-CA 3.46Å; I107-F149 HydrophobicContact CB-CD1 4.23Å; I107-F149 HydrophobicContact CB-CE1 3.97Å; I107-F149 HydrophobicContact CD1-CE1 4.25Å; I107-F149 HydrophobicContact CD1-CZ 4.18Å; I107-F149 HydrophobicContact CG1-CE1 4.12Å; I107-F149 HydrophobicContact CG1-CZ 4.36Å; V133-F149 CarbonylContact C-O 3.58Å; V133-F149 VanDerWaalsContact CA-O 3.31Å; V133-F149 WeakPolarHBondContact CA-O 3.45Å; Q134-F149 HydrophobicContact CB-CB 4.47Å; Q134-F149 PolarHBondContact N-O 3.48Å; Q134-F149 PolarHBondContact O-N 2.94Å; K136-F149 HydrophobicContact CD-CE2 4.33Å; K136-F149 HydrophobicContact CG-CD2 4.11Å; K136-F149 HydrophobicContact CG-CE2 3.74Å; F147-F149 HydrophobicContact CD2-CE2 4.29Å; F147-F149 AromaticContact CE2-CE2 3.89Å; F147-F149 HydrophobicContact CE2-CE2 3.89Å; F147-F149 HydrophobicContact CE2-CZ 4.23Å; F149-P178 HydrophobicContact CD1-CG 4.48Å; F149-P178 HydrophobicContact CE1-CB 3.89Å; F149-P178 HydrophobicContact CE1-CG 4.06Å |
| 150 | V | 89.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 135.2 | 173.5 | 62.6 | 0 | 0 | 0 | 0 | 109.4 | L106 V108 F124 V130 M132 V133 F152 | L106-V150 HydrophobicContact CB-CG1 3.85Å; L106-V150 PolarHBondContact N-O 2.83Å; L106-V150 PolarHBondContact O-N 3.47Å; V108-V150 HydrophobicContact CG2-CB 4.38Å; V108-V150 HydrophobicContact CG2-CG1 3.67Å; F124-V150 HydrophobicContact CB-CG2 4.18Å; F124-V150 HydrophobicContact CD2-CB 4.28Å; F124-V150 HydrophobicContact CD2-CG1 4.31Å; F124-V150 HydrophobicContact CD2-CG2 4.01Å; F124-V150 HydrophobicContact CE2-CG1 4.24Å; F124-V150 HydrophobicContact CG-CG2 4.13Å; F124-V150 HydrophobicContact CZ-CG1 4.48Å; V130-V150 HydrophobicContact CG1-CG2 3.67Å; V130-V150 HydrophobicContact CG2-CG2 4.47Å; M132-V150 CarbonylContact O-C 3.52Å; M132-V150 WeakPolarHBondContact O-CA 3.48Å; V133-V150 HydrophobicContact CG2-CG2 4.23Å; V150-F152 HydrophobicContact CG1-CE2 3.95Å; V150-F152 HydrophobicContact CG2-CD2 4.44Å; V150-F152 HydrophobicContact CG2-CE2 3.86Å; V150-F152 HydrophobicContact CG2-CZ 3.95Å |
| 151 | R | 83.7 | Confident | 80.8 | Confident | 88 Ų | 88 | 50.9 Ų | 50.9 | 33% | 0.332 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 130.4 | 172.3 | -174.1 | -176.4 | -72 | -178.3 | 1.1 | 108.7 | D105 V130 L131 M132 | D105-R151 VanDerWaalsContact CG-NH2 3.26Å; D105-R151 IonicContact OD1-CZ 3.76Å; D105-R151 IonicContact OD1-NE 3.58Å; D105-R151 PolarHBondContact OD1-NE 3.4Å; D105-R151 IonicContact OD1-NH2 3.25Å; D105-R151 PolarHBondContact OD1-NH2 3.45Å; D105-R151 IonicContact OD2-NH2 3.53Å; D105-R151 PolarHBondContact OD2-NH2 3.16Å; D105-R151 VanDerWaalsContact OD2-NH2 3.07Å; V130-R151 CarbonylContact C-O 3.56Å; L131-R151 HydrophobicContact CB-CB 4.26Å; L131-R151 HydrophobicContact CB-CG 4.16Å; L131-R151 HydrophobicContact CD1-CG 4.07Å; L131-R151 PolarHBondContact N-O 3.08Å; M132-R151 HydrophobicContact CB-CB 4.41Å; M132-R151 HydrophobicContact CE-CB 4.39Å; M132-R151 HydrophobicContact CG-CB 3.64Å; M132-R151 PolarHBondContact N-O 3.18Å; M132-R151 PolarHBondContact O-N 3.5Å; M132-R151 HydrophobicContact SD-CB 4.11Å |
| 152 | F | 85.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 159.7 | 173.4 | -67.9 | -82.7 | 0 | 0 | 0 | 111 | T103 L106 F124 E129 V130 L131 V150 T157 V161 | T103-F152 VanDerWaalsContact CB-O 3.26Å; T103-F152 WeakPolarHBondContact CB-O 3.43Å; T103-F152 WeakPolarHBondContact CG2-O 3.41Å; T103-F152 PolarHBondContact OG1-O 3.43Å; L106-F152 HydrophobicContact CD1-CD2 4.38Å; L106-F152 HydrophobicContact CD1-CE2 4.17Å; F124-F152 HydrophobicContact CB-CE1 3.98Å; F124-F152 HydrophobicContact CB-CZ 3.73Å; F124-F152 HydrophobicContact CD1-CE2 4.47Å; F124-F152 AromaticContact CD1-CZ 3.67Å; F124-F152 HydrophobicContact CD1-CZ 3.67Å; F124-F152 AromaticContact CG-CZ 3.89Å; F124-F152 HydrophobicContact CG-CZ 3.89Å; E129-F152 WeakPolarHBondContact O-CA 3.42Å; V130-F152 HydrophobicContact CG2-CD1 4.03Å; V130-F152 HydrophobicContact CG2-CE1 3.67Å; V130-F152 HydrophobicContact CG2-CZ 4.44Å; L131-F152 WeakPolarHBondContact CD1-O 3.46Å; V150-F152 HydrophobicContact CG1-CE2 3.95Å; V150-F152 HydrophobicContact CG2-CD2 4.44Å; V150-F152 HydrophobicContact CG2-CE2 3.86Å; V150-F152 HydrophobicContact CG2-CZ 3.95Å; F152-T157 HydrophobicContact CB-CG2 4.28Å; F152-T157 HydrophobicContact CD1-CG2 3.36Å; F152-T157 HydrophobicContact CD2-CG2 4.4Å; F152-T157 HydrophobicContact CE1-CG2 3.67Å; F152-T157 HydrophobicContact CG-CG2 3.75Å; F152-T157 HydrophobicContact CZ-CG2 4.31Å; F152-V161 HydrophobicContact CE2-CB 4.23Å; F152-V161 HydrophobicContact CE2-CG1 4.04Å; F152-V161 HydrophobicContact CE2-CG2 3.99Å; F152-V161 HydrophobicContact CZ-CB 4.5Å; F152-V161 HydrophobicContact CZ-CG1 4.36Å; F152-V161 HydrophobicContact CZ-CG2 3.79Å |
| 153 | T | 78.1 | Confident | 81 | Confident | 46 Ų | 46 | 51.9 Ų | 51.9 | 28% | 0.282 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -70.2 | -39.4 | 167.9 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | T103 E129 L131 | T103-T153 WeakPolarHBondContact CG2-O 3.19Å; E129-T153 HydrophobicContact CB-CG2 3.87Å; E129-T153 WeakPolarHBondContact CB-OG1 3.47Å; E129-T153 HydrophobicContact CG-CG2 3.7Å; E129-T153 PolarHBondContact O-N 3.28Å; E129-T153 PolarHBondContact O-OG1 3.06Å; L131-T153 HydrophobicContact CD1-CG2 4.29Å; L131-T153 HydrophobicContact CD2-CG2 3.54Å; L131-T153 HydrophobicContact CG-CG2 3.56Å |
| 154 | E | 75.9 | Confident | 81 | Confident | 105 Ų | 105 | 49.2 Ų | 49.2 | 49% | 0.491 | 24% | 0.243 | S | C | . | . | trans | -104.8 | 134.3 | -173.3 | -66.2 | 179.7 | -176.7 | 0 | 0 | 113 | T157 Q158 | E154-T157 PolarHBondContact O-N 3.26Å; E154-T157 PolarHBondContact OE2-OG1 3.3Å; E154-Q158 PolarHBondContact O-N 3.34Å | ||
| 155 | Y | 74.6 | Confident | 80.9 | Confident | 52 Ų | 52 | 54.7 Ų | 54.7 | 20% | 0.204 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.6 | -35.4 | 175.6 | -178.1 | -89.7 | 0 | 0 | 0 | 112.6 | Q101 T157 Q158 V159 | Q101-Y155 HydrophobicContact CB-CD1 4.12Å; Q101-Y155 HydrophobicContact CB-CD2 3.66Å; Q101-Y155 HydrophobicContact CB-CE2 4.12Å; Q101-Y155 HydrophobicContact CB-CG 3.64Å; Y155-T157 VanDerWaalsContact C-N 3.29Å; Y155-T157 PolarHBondContact O-N 2.81Å; Y155-Q158 WeakPolarHBondContact O-CA 3.33Å; Y155-Q158 VanDerWaalsContact O-CB 3.26Å; Y155-Q158 WeakPolarHBondContact O-CB 3.32Å; Y155-Q158 PolarHBondContact O-N 2.98Å; Y155-Q158 VanDerWaalsContact O-N 3.08Å; Y155-V159 HydrophobicContact CD1-CG2 3.74Å; Y155-V159 HydrophobicContact CE1-CG2 3.21Å; Y155-V159 HydrophobicContact CE2-CG2 4.47Å; Y155-V159 PolarHBondContact O-N 2.94Å |
| 156 | E | 75.1 | Confident | 81.2 | Confident | 101 Ų | 101 | 49.8 Ų | 49.8 | 47% | 0.472 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.3 | -41.2 | 178.2 | -57.5 | -160.7 | 130.5 | 0 | 0 | 111.5 | R98 Q158 V159 K160 | R98-E156 IonicContact CZ-OE1 3.68Å; R98-E156 IonicContact CZ-OE2 3.35Å; R98-E156 IonicContact NE-OE1 2.84Å; R98-E156 PolarHBondContact NE-OE1 2.99Å; R98-E156 IonicContact NH1-OE1 3.74Å; R98-E156 PolarHBondContact NH1-OE1 2.85Å; R98-E156 IonicContact NH1-OE2 3.11Å; R98-E156 PolarHBondContact NH1-OE2 3.31Å; R98-E156 IonicContact NH2-OE1 3.99Å; R98-E156 PolarHBondContact NH2-OE1 3.32Å; R98-E156 VanDerWaalsContact NH2-OE1 3.11Å; E156-Q158 VanDerWaalsContact C-N 3.32Å; E156-Q158 PolarHBondContact O-N 2.63Å; E156-V159 PolarHBondContact O-N 3.15Å; E156-K160 WeakPolarHBondContact O-CB 3.12Å; E156-K160 PolarHBondContact O-N 2.9Å |
| 157 | T | 80 | Confident | 81.4 | Confident | 10 Ų | 10 | 52.9 Ų | 52.9 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 172.7 | -64.9 | 0 | 0 | 0 | 0 | 110.9 | F127 F152 E154 Y155 V159 K160 V161 | F127-T157 HydrophobicContact CB-CG2 3.99Å; F152-T157 HydrophobicContact CB-CG2 4.28Å; F152-T157 HydrophobicContact CD1-CG2 3.36Å; F152-T157 HydrophobicContact CD2-CG2 4.4Å; F152-T157 HydrophobicContact CE1-CG2 3.67Å; F152-T157 HydrophobicContact CG-CG2 3.75Å; F152-T157 HydrophobicContact CZ-CG2 4.31Å; E154-T157 PolarHBondContact O-N 3.26Å; E154-T157 PolarHBondContact OE2-OG1 3.3Å; Y155-T157 VanDerWaalsContact C-N 3.29Å; Y155-T157 PolarHBondContact O-N 2.81Å; T157-V159 PolarHBondContact O-N 3.27Å; T157-K160 PolarHBondContact O-N 3.06Å; T157-V161 HydrophobicContact CG2-CG2 4.39Å; T157-V161 WeakPolarHBondContact O-CB 3.48Å; T157-V161 VanDerWaalsContact O-CG2 3.26Å; T157-V161 WeakPolarHBondContact O-CG2 3.32Å; T157-V161 PolarHBondContact O-N 2.97Å |
| 158 | Q | 80.9 | Confident | 81.4 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.3 | -48.2 | 176.4 | -170.9 | -166.5 | -56.4 | 0 | 0 | 112.3 | S104 L106 E154 Y155 E156 V161 M162 | S104-Q158 PolarHBondContact O-OE1 2.77Å; L106-Q158 HydrophobicContact CD1-CG 3.63Å; L106-Q158 HydrophobicContact CD2-CG 3.59Å; L106-Q158 HydrophobicContact CG-CG 3.69Å; E154-Q158 PolarHBondContact O-N 3.34Å; Y155-Q158 WeakPolarHBondContact O-CA 3.33Å; Y155-Q158 VanDerWaalsContact O-CB 3.26Å; Y155-Q158 WeakPolarHBondContact O-CB 3.32Å; Y155-Q158 PolarHBondContact O-N 2.98Å; Y155-Q158 VanDerWaalsContact O-N 3.08Å; E156-Q158 VanDerWaalsContact C-N 3.32Å; E156-Q158 PolarHBondContact O-N 2.63Å; Q158-V161 PolarHBondContact O-N 3Å; Q158-M162 HydrophobicContact CG-SD 4.31Å; Q158-M162 VanDerWaalsContact O-CG 3.32Å; Q158-M162 WeakPolarHBondContact O-CG 3.38Å; Q158-M162 PolarHBondContact O-N 3.03Å |
| 159 | V | 73.9 | Confident | 81.1 | Confident | 58 Ų | 58 | 54.5 Ų | 54.5 | 35% | 0.352 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 178.7 | 175 | 0 | 0 | 0 | 0 | 110.5 | Y155 E156 T157 V161 M162 S163 | Y155-V159 HydrophobicContact CD1-CG2 3.74Å; Y155-V159 HydrophobicContact CE1-CG2 3.21Å; Y155-V159 HydrophobicContact CE2-CG2 4.47Å; Y155-V159 PolarHBondContact O-N 2.94Å; E156-V159 PolarHBondContact O-N 3.15Å; T157-V159 PolarHBondContact O-N 3.27Å; V159-V161 VanDerWaalsContact C-N 3.29Å; V159-V161 PolarHBondContact O-N 2.82Å; V159-M162 PolarHBondContact O-N 2.79Å; V159-S163 PolarHBondContact O-N 2.82Å; V159-S163 PolarHBondContact O-OG 2.79Å |
| 160 | K | 79.5 | Confident | 80.7 | Confident | 130 Ų | 130 | 56.2 Ų | 56.2 | 57% | 0.565 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -59.5 | -39.7 | 179 | -172.3 | 178.5 | -177.6 | -177.8 | 0 | 112.6 | E156 T157 | E156-K160 WeakPolarHBondContact O-CB 3.12Å; E156-K160 PolarHBondContact O-N 2.9Å; T157-K160 PolarHBondContact O-N 3.06Å |
| 161 | V | 86 | Confident | 80.2 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.8 | -38.1 | 175.3 | 166.8 | 0 | 0 | 0 | 0 | 111.1 | L106 F124 F127 F152 T157 Q158 V159 S163 H166 C175 | L106-V161 HydrophobicContact CD1-CB 4.31Å; L106-V161 HydrophobicContact CD1-CG1 3.81Å; F124-V161 HydrophobicContact CD1-CG1 4.24Å; F124-V161 HydrophobicContact CD1-CG2 4.48Å; F124-V161 HydrophobicContact CE1-CG1 3.75Å; F127-V161 HydrophobicContact CB-CG2 3.86Å; F127-V161 HydrophobicContact CD1-CG2 4.26Å; F127-V161 HydrophobicContact CD2-CG2 4.34Å; F127-V161 HydrophobicContact CG-CG2 3.88Å; F152-V161 HydrophobicContact CE2-CB 4.23Å; F152-V161 HydrophobicContact CE2-CG1 4.04Å; F152-V161 HydrophobicContact CE2-CG2 3.99Å; F152-V161 HydrophobicContact CZ-CB 4.5Å; F152-V161 HydrophobicContact CZ-CG1 4.36Å; F152-V161 HydrophobicContact CZ-CG2 3.79Å; T157-V161 HydrophobicContact CG2-CG2 4.39Å; T157-V161 WeakPolarHBondContact O-CB 3.48Å; T157-V161 VanDerWaalsContact O-CG2 3.26Å; T157-V161 WeakPolarHBondContact O-CG2 3.32Å; T157-V161 PolarHBondContact O-N 2.97Å; Q158-V161 PolarHBondContact O-N 3Å; V159-V161 VanDerWaalsContact C-N 3.29Å; V159-V161 PolarHBondContact O-N 2.82Å; V161-S163 VanDerWaalsContact C-N 3.34Å; V161-S163 PolarHBondContact O-N 2.77Å; V161-H166 WeakPolarHBondContact CG1-NE2 3.47Å; V161-H166 PolarHBondContact O-NE2 2.82Å; V161-C175 HydrophobicContact CG1-CB 3.75Å |
| 162 | M | 81.4 | Confident | 80.2 | Confident | 57 Ų | 57 | 64.7 Ų | 64.7 | 28% | 0.281 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.8 | -29.6 | 176.5 | -72.6 | 178 | 61.2 | 0 | 0 | 113.7 | L106 Q158 V159 Q164 L177 | L106-M162 HydrophobicContact CD1-CG 3.83Å; L106-M162 HydrophobicContact CD2-CG 3.62Å; L106-M162 HydrophobicContact CD2-SD 3.42Å; L106-M162 WeakPolarHBondContact CD2-SD 3.38Å; L106-M162 HydrophobicContact CG-CG 4.38Å; Q158-M162 HydrophobicContact CG-SD 4.31Å; Q158-M162 VanDerWaalsContact O-CG 3.32Å; Q158-M162 WeakPolarHBondContact O-CG 3.38Å; Q158-M162 PolarHBondContact O-N 3.03Å; V159-M162 PolarHBondContact O-N 2.79Å; M162-Q164 VanDerWaalsContact C-N 3.27Å; M162-Q164 PolarHBondContact O-N 3.45Å; M162-L177 HydrophobicContact CE-CB 4.47Å; M162-L177 HydrophobicContact CE-CD1 4.04Å; M162-L177 HydrophobicContact CE-CG 3.75Å; M162-L177 HydrophobicContact SD-CD1 4.48Å; M162-L177 HydrophobicContact SD-CD2 4.49Å; M162-L177 HydrophobicContact SD-CG 3.97Å |
| 163 | S | 76.8 | Confident | 80.1 | Confident | 98 Ų | 98 | 64.7 Ų | 64.7 | 69% | 0.685 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -7.7 | -176.2 | -62.1 | 0 | 0 | 0 | 0 | 114.5 | V159 V161 | V159-S163 PolarHBondContact O-N 2.82Å; V159-S163 PolarHBondContact O-OG 2.79Å; V161-S163 VanDerWaalsContact C-N 3.34Å; V161-S163 PolarHBondContact O-N 2.77Å |
| 164 | Q | 76.1 | Confident | 80.1 | Confident | 80 Ų | 80 | 64.8 Ų | 64.8 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -135.8 | 162.5 | -176.5 | 68.7 | -172.7 | -21.9 | 0 | 0 | 113 | M162 H166 | M162-Q164 VanDerWaalsContact C-N 3.27Å; M162-Q164 PolarHBondContact O-N 3.45Å; Q164-H166 PolarHBondContact O-CD2 3.12Å; Q164-H166 PolarHBondContact O-NE2 3.37Å |
| 165 | R | 80 | Confident | 80.5 | Confident | 128 Ų | 128 | 60 Ų | 60 | 48% | 0.483 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 147.8 | 172.3 | -55.2 | -169.9 | 76.2 | -149.1 | -0.5 | 109.9 | W172 D174 | R165-W172 HydrophobicContact CB-CE3 3.82Å; R165-W172 HydrophobicContact CB-CZ3 4.11Å; R165-D174 WeakPolarHBondContact CG-OD1 3.4Å; R165-D174 IonicContact CZ-OD1 3.96Å; R165-D174 IonicContact CZ-OD2 3.4Å; R165-D174 IonicContact NE-OD1 2.63Å; R165-D174 PolarHBondContact NE-OD1 2.99Å; R165-D174 IonicContact NE-OD2 2.68Å; R165-D174 PolarHBondContact NE-OD2 3.33Å; R165-D174 IonicContact NH2-OD2 2.86Å; R165-D174 PolarHBondContact NH2-OD2 3.42Å |
| 166 | H | 85.5 | Confident | 80.8 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 134.8 | -175.2 | -65.2 | -85.3 | 0 | 0 | 0 | 111.1 | Y123 F124 F127 V161 Q164 I168 W172 C173 C175 | Y123-H166 HydrophobicContact CE1-CB 3.66Å; Y123-H166 AromaticContact CE1-CG 3.82Å; Y123-H166 AromaticContact CE1-ND1 3.45Å; Y123-H166 WeakPolarHBondContact CE1-ND1 3.04Å; Y123-H166 AromaticContact CZ-ND1 3.82Å; Y123-H166 WeakPolarHBondContact OH-CA 3.45Å; Y123-H166 VanDerWaalsContact OH-CB 3.27Å; Y123-H166 WeakPolarHBondContact OH-CB 3.37Å; Y123-H166 PolarHBondContact OH-ND1 3.37Å; F124-H166 AromaticContact CE1-ND1 3.96Å; F127-H166 AromaticContact CE2-CE1 3.98Å; F127-H166 AromaticContact CE2-ND1 3.76Å; F127-H166 AromaticContact CZ-CE1 3.79Å; F127-H166 AromaticContact CZ-ND1 3.64Å; V161-H166 WeakPolarHBondContact CG1-NE2 3.47Å; V161-H166 PolarHBondContact O-NE2 2.82Å; Q164-H166 PolarHBondContact O-CD2 3.12Å; Q164-H166 PolarHBondContact O-NE2 3.37Å; H166-I168 HydrophobicContact CB-CD1 4.28Å; H166-I168 HydrophobicContact CB-CG1 4.25Å; H166-W172 CarbonylContact O-C 3.52Å; H166-W172 WeakPolarHBondContact O-CA 3.33Å; H166-C173 PolarHBondContact N-O 3.43Å; H166-C173 PolarHBondContact O-N 3.49Å; H166-C175 PolarHBondContact CD2-SG 2.65Å |
| 167 | M | 84.7 | Confident | 80.9 | Confident | 75 Ų | 75 | 60.2 Ų | 60.2 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 104.4 | 175.9 | -177.4 | 66.5 | 80.4 | 0 | 0 | 109.1 | Y123 R171 W172 | Y123-M167 WeakPolarHBondContact CE2-O 3.32Å; Y123-M167 PolarHBondContact OH-N 2.86Å; M167-R171 VanDerWaalsContact SD-C 3.59Å; M167-R171 PolarHBondContact SD-N 2.83Å; M167-R171 VanDerWaalsContact SD-N 3.44Å; M167-W172 HydrophobicContact CB-CE3 4.26Å; M167-W172 HydrophobicContact CB-CH2 4.48Å; M167-W172 HydrophobicContact CB-CZ3 4.12Å; M167-W172 HydrophobicContact CE-CD2 3.62Å; M167-W172 HydrophobicContact CE-CE3 4.22Å; M167-W172 HydrophobicContact CE-CG 4.05Å; M167-W172 HydrophobicContact CE-CH2 4.08Å; M167-W172 HydrophobicContact CE-CZ2 3.46Å; M167-W172 VanDerWaalsContact CE-CZ2 3.46Å; M167-W172 HydrophobicContact CE-CZ3 4.42Å; M167-W172 VanDerWaalsContact CE-NE1 3.34Å; M167-W172 HydrophobicContact SD-CD2 4.33Å; M167-W172 HydrophobicContact SD-CG 4.49Å |
| 168 | I | 85.9 | Confident | 80.4 | Confident | 5 Ų | 5 | 60.9 Ų | 60.9 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 121.2 | -176.9 | -54.5 | 174.7 | 0 | 0 | 0 | 108.3 | V108 L111 P112 T115 L120 Y123 F124 H166 G170 R171 C173 | V108-I168 HydrophobicContact CG1-CD1 4.4Å; L111-I168 HydrophobicContact CD2-CD1 3.85Å; L111-I168 HydrophobicContact CD2-CG2 4.46Å; P112-I168 WeakPolarHBondContact CG-O 3.49Å; T115-I168 HydrophobicContact CG2-CG2 3.87Å; L120-I168 HydrophobicContact CD2-CD1 4.04Å; Y123-I168 HydrophobicContact CD1-CD1 3.92Å; Y123-I168 HydrophobicContact CD1-CG1 3.86Å; Y123-I168 HydrophobicContact CD2-CG1 4.37Å; Y123-I168 HydrophobicContact CE1-CD1 4.03Å; Y123-I168 HydrophobicContact CE1-CG1 3.82Å; Y123-I168 HydrophobicContact CE2-CG1 4.33Å; Y123-I168 HydrophobicContact CG-CG1 4.14Å; F124-I168 HydrophobicContact CE2-CD1 4.14Å; F124-I168 HydrophobicContact CZ-CD1 4.12Å; H166-I168 HydrophobicContact CB-CD1 4.28Å; H166-I168 HydrophobicContact CB-CG1 4.25Å; I168-G170 PolarHBondContact O-N 3.48Å; I168-G170 VanDerWaalsContact O-N 3.14Å; I168-R171 PolarHBondContact N-O 3.34Å; I168-R171 PolarHBondContact O-N 2.93Å; I168-C173 HydrophobicContact CD1-CB 4.17Å |
| 169 | D | 81.2 | Confident | 79.4 | Confident | 75 Ų | 75 | 68 Ų | 68 | 40% | 0.401 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.7 | 39.6 | -172.4 | -52.5 | -47 | 0 | 0 | 0 | 115.1 | P112 T115 R171 | P112-D169 HydrophobicContact CG-CB 3.98Å; T115-D169 PolarHBondContact OG1-OD2 2.93Å; D169-R171 VanDerWaalsContact C-N 3.34Å |
| 170 | G | 79.2 | Confident | 78.2 | Confident | 70 Ų | 70 | 69.5 Ų | 69.5 | 72% | 0.722 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 13.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | I168 | I168-G170 PolarHBondContact O-N 3.48Å; I168-G170 VanDerWaalsContact O-N 3.14Å |
| 171 | R | 80.5 | Confident | 76.5 | Confident | 128 Ų | 128 | 72.4 Ų | 72.4 | 48% | 0.483 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.8 | 173.5 | -169.4 | 167.9 | 178.5 | 156.5 | 2.2 | 111.6 | G110 P112 M167 I168 D169 C173 | G110-R171 WeakPolarHBondContact O-CD 3.35Å; G110-R171 WeakPolarHBondContact O-CG 3.24Å; G110-R171 PolarHBondContact O-NE 3.34Å; P112-R171 HydrophobicContact CG-CB 3.81Å; M167-R171 VanDerWaalsContact SD-C 3.59Å; M167-R171 PolarHBondContact SD-N 2.83Å; M167-R171 VanDerWaalsContact SD-N 3.44Å; I168-R171 PolarHBondContact N-O 3.34Å; I168-R171 PolarHBondContact O-N 2.93Å; D169-R171 VanDerWaalsContact C-N 3.34Å; R171-C173 PolarHBondContact O-N 2.89Å; R171-C173 PolarHBondContact O-SG 3.36Å; R171-C173 VanDerWaalsContact O-SG 3.34Å |
| 172 | W | 82.8 | Confident | 74.4 | Confident | 138 Ų | 138 | 79 Ų | 79 | 52% | 0.523 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 125.5 | 170.9 | -71.1 | 112.1 | 0 | 0 | 0 | 111.2 | R165 H166 M167 | R165-W172 HydrophobicContact CB-CE3 3.82Å; R165-W172 HydrophobicContact CB-CZ3 4.11Å; H166-W172 CarbonylContact O-C 3.52Å; H166-W172 WeakPolarHBondContact O-CA 3.33Å; M167-W172 HydrophobicContact CB-CE3 4.26Å; M167-W172 HydrophobicContact CB-CH2 4.48Å; M167-W172 HydrophobicContact CB-CZ3 4.12Å; M167-W172 HydrophobicContact CE-CD2 3.62Å; M167-W172 HydrophobicContact CE-CE3 4.22Å; M167-W172 HydrophobicContact CE-CG 4.05Å; M167-W172 HydrophobicContact CE-CH2 4.08Å; M167-W172 HydrophobicContact CE-CZ2 3.46Å; M167-W172 VanDerWaalsContact CE-CZ2 3.46Å; M167-W172 HydrophobicContact CE-CZ3 4.42Å; M167-W172 VanDerWaalsContact CE-NE1 3.34Å; M167-W172 HydrophobicContact SD-CD2 4.33Å; M167-W172 HydrophobicContact SD-CG 4.49Å |
| 173 | C | 84.9 | Confident | 72.3 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 150.4 | -178.7 | -57.2 | 0 | 0 | 0 | 0 | 110.1 | V108 L109 G110 L111 H166 I168 R171 | V108-C173 HydrophobicContact CG1-CB 4.15Å; L109-C173 VanDerWaalsContact O-CA 3.27Å; L109-C173 WeakPolarHBondContact O-CA 3.47Å; L109-C173 WeakPolarHBondContact O-CB 3.21Å; G110-C173 PolarHBondContact O-SG 3.29Å; G110-C173 VanDerWaalsContact O-SG 3.41Å; L111-C173 HydrophobicContact CD2-CB 4.47Å; H166-C173 PolarHBondContact N-O 3.43Å; H166-C173 PolarHBondContact O-N 3.49Å; I168-C173 HydrophobicContact CD1-CB 4.17Å; R171-C173 PolarHBondContact O-N 2.89Å; R171-C173 PolarHBondContact O-SG 3.36Å; R171-C173 VanDerWaalsContact O-SG 3.34Å |
| 174 | D | 78.1 | Confident | 70.7 | Confident | 48 Ų | 48 | 81.6 Ų | 81.6 | 26% | 0.257 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 128.8 | -176.6 | -69.6 | -84.8 | 0 | 0 | 0 | 110.1 | L109 R165 | L109-D174 PolarHBondContact N-O 3.25Å; L109-D174 PolarHBondContact O-N 2.95Å; R165-D174 WeakPolarHBondContact CG-OD1 3.4Å; R165-D174 IonicContact CZ-OD1 3.96Å; R165-D174 IonicContact CZ-OD2 3.4Å; R165-D174 IonicContact NE-OD1 2.63Å; R165-D174 PolarHBondContact NE-OD1 2.99Å; R165-D174 IonicContact NE-OD2 2.68Å; R165-D174 PolarHBondContact NE-OD2 3.33Å; R165-D174 IonicContact NH2-OD2 2.86Å; R165-D174 PolarHBondContact NH2-OD2 3.42Å |
| 175 | C | 83.8 | Confident | 68.9 | Low | 5 Ų | 5 | 85.1 Ų | 85.1 | 3% | 0.034 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 125.4 | 179.9 | -60.9 | 0 | 0 | 0 | 0 | 110.2 | L106 I107 F124 V161 H166 | L106-C175 HydrophobicContact CD1-CB 4.47Å; I107-C175 CarbonylContact O-C 3.58Å; I107-C175 WeakPolarHBondContact O-CA 3.47Å; F124-C175 VanDerWaalsContact CZ-SG 3.57Å; V161-C175 HydrophobicContact CG1-CB 3.75Å; H166-C175 PolarHBondContact CD2-SG 2.65Å |
| 176 | K | 79.6 | Confident | 67.1 | Low | 114 Ų | 114 | 83.6 Ų | 83.6 | 50% | 0.496 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 164 | -177.6 | -61.7 | -172.5 | -179.4 | -175.7 | 0 | 111.3 | L106 I107 | L106-K176 CarbonylContact C-O 3.58Å; L106-K176 WeakPolarHBondContact CA-O 3.5Å; I107-K176 HydrophobicContact CG2-CB 4.18Å; I107-K176 VanDerWaalsContact CG2-O 3.31Å; I107-K176 WeakPolarHBondContact CG2-O 3.21Å; I107-K176 PolarHBondContact N-O 3.47Å; I107-K176 PolarHBondContact O-N 3.15Å |
| 177 | L | 78.3 | Confident | 65 | Low | 42 Ų | 42 | 88.2 Ų | 88.2 | 22% | 0.22 | 47% | 0.472 | C | S | . | . | trans | -69.3 | 129.1 | 164.7 | -73.1 | 167.8 | 0 | 0 | 0 | 109.2 | L106 M162 N179 | L106-L177 HydrophobicContact CD2-CD2 3.94Å; L106-L177 HydrophobicContact CD2-CG 4.34Å; M162-L177 HydrophobicContact CE-CB 4.47Å; M162-L177 HydrophobicContact CE-CD1 4.04Å; M162-L177 HydrophobicContact CE-CG 3.75Å; M162-L177 HydrophobicContact SD-CD1 4.48Å; M162-L177 HydrophobicContact SD-CD2 4.49Å; M162-L177 HydrophobicContact SD-CG 3.97Å; L177-N179 PolarHBondContact O-N 3.29Å | ||
| 178 | P | 69.8 | Low | 63.2 | Low | 25 Ų | 25 | 88.2 Ų | 88.2 | 16% | 0.162 | 47% | 0.473 | C | S | . | . | trans | -65.2 | 137.2 | 172.8 | 24.6 | -28.6 | 0 | 0 | 0 | 108.7 | D105 I107 F149 S180 | D105-P178 WeakPolarHBondContact O-CD 3.48Å; D105-P178 WeakPolarHBondContact O-CG 3.45Å; I107-P178 HydrophobicContact CB-CB 4.12Å; I107-P178 HydrophobicContact CG2-CB 4.17Å; F149-P178 HydrophobicContact CD1-CG 4.48Å; F149-P178 HydrophobicContact CE1-CB 3.89Å; F149-P178 HydrophobicContact CE1-CG 4.06Å; P178-S180 VanDerWaalsContact C-N 3.33Å; P178-S180 PolarHBondContact O-N 3.46Å | ||
| 179 | N | 60.4 | Low | 61.7 | Low | 152 Ų | 152 | 93.8 Ų | 93.8 | 81% | 0.813 | 49% | 0.494 | S | S | * | . | trans | -63.1 | 103.5 | 158.2 | -71.8 | -6.6 | 0 | 0 | 0 | 105.8 | L177 K181 | L177-N179 PolarHBondContact O-N 3.29Å; N179-K181 PolarHBondContact O-N 3.22Å; N179-K181 VanDerWaalsContact O-N 3.16Å | ||
| 180 | S | 48.3 | Very low | 60.8 | Low | 89 Ų | 89 | 91.7 Ų | 91.7 | 62% | 0.622 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -47.8 | 125.4 | -178 | -74.8 | 0 | 0 | 0 | 0 | 109.6 | P178 Q182 | P178-S180 VanDerWaalsContact C-N 3.33Å; P178-S180 PolarHBondContact O-N 3.46Å; S180-Q182 PolarHBondContact O-N 3.34Å |
| 181 | K | 43.4 | Very low | 60.7 | Low | 191 Ų | 191 | 91.6 Ų | 91.6 | 83% | 0.83 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 121 | 170.8 | -73.4 | -175.5 | 175.6 | -176.1 | 0 | 107.9 | N179 | N179-K181 PolarHBondContact O-N 3.22Å; N179-K181 VanDerWaalsContact O-N 3.16Å |
| 182 | Q | 42.8 | Very low | 60.9 | Low | 139 Ų | 139 | 88.6 Ų | 88.6 | 65% | 0.65 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -64 | 135.4 | -177 | -65.7 | 157.9 | -5.9 | 0 | 0 | 111 | S180 | S180-Q182 PolarHBondContact O-N 3.34Š|
| 183 | S | 36.4 | Very low | 61 | Low | 79 Ų | 79 | 82.1 Ų | 82.1 | 55% | 0.552 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -80.2 | 135.7 | 147.3 | 46.8 | 0 | 0 | 0 | 0 | 107.9 | D185 | S183-D185 PolarHBondContact O-N 2.62Å; S183-D185 VanDerWaalsContact O-N 3.09Å |
| 184 | P | 42.7 | Very low | 61.1 | Low | 131 Ų | 131 | 84.8 Ų | 84.8 | 85% | 0.851 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -5.2 | -172.7 | 24 | -32.2 | 0 | 0 | 0 | 115.7 | ||
| 185 | D | 38.3 | Very low | 61.6 | Low | 153 Ų | 153 | 82.5 Ų | 82.5 | 82% | 0.818 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | 6.6 | -169.9 | -106.1 | -91.6 | 0 | 0 | 0 | 115.7 | S183 | S183-D185 PolarHBondContact O-N 2.62Å; S183-D185 VanDerWaalsContact O-N 3.09Å |
| 186 | E | 42.1 | Very low | 61.6 | Low | 96 Ų | 96 | 82.5 Ų | 82.5 | 45% | 0.449 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -110.6 | 132 | 173.4 | -89.8 | -126.2 | 95.2 | 0 | 0 | 111.9 | L188 R189 | E186-L188 PolarHBondContact O-N 3.37Å; E186-L188 VanDerWaalsContact O-N 3.15Å; E186-R189 VanDerWaalsContact CD-NH1 3.26Å; E186-R189 IonicContact OE1-CZ 3.74Å; E186-R189 IonicContact OE1-NH1 3.15Å; E186-R189 PolarHBondContact OE1-NH1 2.97Å; E186-R189 IonicContact OE1-NH2 2.94Å; E186-R189 IonicContact OE2-CZ 3.89Å; E186-R189 IonicContact OE2-NH1 2.92Å; E186-R189 PolarHBondContact OE2-NH1 2.82Å; E186-R189 IonicContact OE2-NH2 2.76Å; E186-R189 PolarHBondContact OE2-NH2 2.79Å |
| 187 | P | 41.5 | Very low | 61.8 | Low | 98 Ų | 98 | 84.1 Ų | 84.1 | 64% | 0.636 | 43% | 0.432 | S | S | * | . | trans | -55.2 | 125.6 | 173.1 | 23.6 | -31.2 | 0 | 0 | 0 | 108.3 | R189 | P187-R189 WeakPolarHBondContact O-CG 3.32Å; P187-R189 PolarHBondContact O-N 2.96Å | ||
| 188 | L | 47.3 | Very low | 62 | Low | 75 Ų | 75 | 82.4 Ų | 82.4 | 39% | 0.393 | 42% | 0.424 | S | S | . | . | trans | -36.9 | 88 | -171.9 | -147.4 | 78.8 | 0 | 0 | 0 | 113 | E186 S190 | E186-L188 PolarHBondContact O-N 3.37Å; E186-L188 VanDerWaalsContact O-N 3.15Å; L188-S190 PolarHBondContact O-N 3.3Å | ||
| 189 | R | 54.2 | Low | 62.6 | Low | 121 Ų | 121 | 83.2 Ų | 83.2 | 46% | 0.457 | 43% | 0.429 | S | S | . | . | trans | -77.4 | 67.2 | 173 | -62.4 | -133.1 | -80.5 | -81.5 | -21.1 | 109.4 | E186 P187 D237 Q241 | E186-R189 VanDerWaalsContact CD-NH1 3.26Å; E186-R189 IonicContact OE1-CZ 3.74Å; E186-R189 IonicContact OE1-NH1 3.15Å; E186-R189 PolarHBondContact OE1-NH1 2.97Å; E186-R189 IonicContact OE1-NH2 2.94Å; E186-R189 IonicContact OE2-CZ 3.89Å; E186-R189 IonicContact OE2-NH1 2.92Å; E186-R189 PolarHBondContact OE2-NH1 2.82Å; E186-R189 IonicContact OE2-NH2 2.76Å; E186-R189 PolarHBondContact OE2-NH2 2.79Å; P187-R189 WeakPolarHBondContact O-CG 3.32Å; P187-R189 PolarHBondContact O-N 2.96Å; R189-D237 HydrophobicContact CB-CB 4.4Å; R189-D237 VanDerWaalsContact CD-OD2 3.25Å; R189-D237 WeakPolarHBondContact CD-OD2 3.14Å; R189-D237 IonicContact NE-OD2 2.73Å; R189-D237 PolarHBondContact NE-OD2 3.29Å; R189-Q241 VanDerWaalsContact CD-NE2 3.25Å; R189-Q241 VanDerWaalsContact CG-NE2 3.26Å | ||
| 190 | S | 63.6 | Low | 63.4 | Low | 31 Ų | 31 | 83.2 Ų | 83.2 | 22% | 0.217 | 42% | 0.423 | C | S | . | . | trans | -79.3 | 124.1 | 176.1 | 176.4 | 0 | 0 | 0 | 0 | 109.1 | L188 K192 A240 | L188-S190 PolarHBondContact O-N 3.3Å; S190-K192 PolarHBondContact O-N 3.23Å; S190-K192 PolarHBondContact OG-N 3.46Å; S190-K192 PolarHBondContact OG-O 3.24Å; S190-A240 WeakPolarHBondContact O-CB 3.09Å | ||
| 191 | R | 77.2 | Confident | 64.7 | Low | 68 Ų | 68 | 85 Ų | 85 | 26% | 0.257 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -65.1 | -13.6 | 166.1 | -74.3 | 178.1 | -73.7 | -179.1 | -2.3 | 113 | T233 F234 A235 D237 | R191-T233 HydrophobicContact CB-CG2 4.38Å; R191-T233 WeakPolarHBondContact O-CA 3.48Å; R191-F234 WeakPolarHBondContact CB-O 3.48Å; R191-F234 PolarHBondContact O-N 3.16Å; R191-A235 WeakPolarHBondContact CD-O 3.27Å; R191-D237 HydrophobicContact CG-CB 3.81Å |
| 192 | K | 82.8 | Confident | 66.4 | Low | 66 Ų | 66 | 76.2 Ų | 76.2 | 29% | 0.287 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 128.9 | 178.9 | -176.6 | 175.4 | -92 | -170 | 0 | 110.5 | S190 F231 V232 T233 A260 | S190-K192 PolarHBondContact O-N 3.23Å; S190-K192 PolarHBondContact OG-N 3.46Å; S190-K192 PolarHBondContact OG-O 3.24Å; K192-F231 HydrophobicContact CD-CB 3.9Å; K192-F231 HydrophobicContact CD-CD1 3.92Å; K192-F231 HydrophobicContact CD-CG 4.15Å; K192-F231 HydrophobicContact CG-CB 4.15Å; K192-F231 HydrophobicContact CG-CD1 4.24Å; K192-V232 CarbonylContact C-O 3.58Å; K192-V232 VanDerWaalsContact CA-O 3.32Å; K192-V232 WeakPolarHBondContact CA-O 3.42Å; K192-T233 HydrophobicContact CB-CG2 4.45Å; K192-T233 WeakPolarHBondContact CE-OG1 3.49Å; K192-A260 HydrophobicContact CB-CB 3.99Å; K192-A260 HydrophobicContact CD-CB 3.99Å; K192-A260 HydrophobicContact CG-CB 3.54Å; K192-A260 WeakPolarHBondContact O-CB 3.21Å; K192-A260 PolarHBondContact O-N 3.05Å |
| 193 | V | 86.6 | Confident | 68.3 | Low | 2 Ų | 2 | 72.5 Ų | 72.5 | 1% | 0.012 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 148.1 | 170.9 | -58.4 | 0 | 0 | 0 | 0 | 110.5 | V195 F231 V232 F234 A240 I257 | V193-V195 HydrophobicContact CG2-CG2 4.25Å; V193-F231 WeakPolarHBondContact O-CA 3.34Å; V193-V232 HydrophobicContact CG2-CB 3.82Å; V193-V232 WeakPolarHBondContact CG2-O 3.4Å; V193-V232 PolarHBondContact N-O 3.01Å; V193-V232 PolarHBondContact O-N 3.14Å; V193-F234 HydrophobicContact CG1-CD2 4.48Å; V193-F234 HydrophobicContact CG1-CE2 4.31Å; V193-F234 HydrophobicContact CG2-CD2 4.39Å; V193-F234 HydrophobicContact CG2-CE2 3.77Å; V193-A240 HydrophobicContact CG1-CB 3.65Å; V193-A240 WeakPolarHBondContact CG1-O 3.42Å; V193-I257 HydrophobicContact CB-CG2 3.75Å; V193-I257 HydrophobicContact CG1-CG2 4.12Å; V193-I257 HydrophobicContact CG2-CG2 4.08Å |
| 194 | F | 86.9 | Confident | 70.3 | Confident | 56 Ų | 56 | 70.6 Ų | 70.6 | 25% | 0.246 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 128.4 | 168.2 | 171.7 | -88.1 | 0 | 0 | 0 | 108.1 | G196 F229 F231 I257 S258 A260 | F194-G196 VanDerWaalsContact CE1-CA 3.42Å; F194-F229 HydrophobicContact CD2-CB 4.3Å; F194-F229 AromaticContact CD2-CD2 3.99Å; F194-F229 HydrophobicContact CD2-CD2 3.99Å; F194-F229 HydrophobicContact CD2-CG 4.34Å; F194-F229 HydrophobicContact CE1-CB 4.26Å; F194-F229 HydrophobicContact CE2-CB 3.41Å; F194-F229 VanDerWaalsContact CE2-CB 3.41Å; F194-F229 HydrophobicContact CE2-CD1 4.03Å; F194-F229 AromaticContact CE2-CD2 3.39Å; F194-F229 HydrophobicContact CE2-CD2 3.39Å; F194-F229 HydrophobicContact CE2-CE2 4.07Å; F194-F229 AromaticContact CE2-CG 3.37Å; F194-F229 HydrophobicContact CE2-CG 3.37Å; F194-F229 HydrophobicContact CZ-CB 3.38Å; F194-F229 HydrophobicContact CZ-CD1 4.26Å; F194-F229 HydrophobicContact CZ-CD2 4.25Å; F194-F229 AromaticContact CZ-CG 3.77Å; F194-F229 HydrophobicContact CZ-CG 3.77Å; F194-F231 HydrophobicContact CB-CD1 4.4Å; F194-F231 HydrophobicContact CB-CE1 4.34Å; F194-F231 HydrophobicContact CD2-CD1 4.39Å; F194-F231 AromaticContact CD2-CE1 3.82Å; F194-F231 HydrophobicContact CD2-CE1 3.82Å; F194-F231 HydrophobicContact CD2-CZ 4.18Å; F194-I257 CarbonylContact O-C 3.41Å; F194-I257 WeakPolarHBondContact O-CA 3.49Å; F194-S258 VanDerWaalsContact CD1-OG 3.26Å; F194-S258 WeakPolarHBondContact CD1-OG 3.25Å; F194-S258 PolarHBondContact N-O 2.87Å; F194-S258 PolarHBondContact O-N 3.34Å; F194-A260 HydrophobicContact CB-CB 4.45Å |
| 195 | V | 87.5 | Confident | 72 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 104.5 | 175.9 | -171.6 | 0 | 0 | 0 | 0 | 106.8 | V193 C198 F211 F229 A230 V232 V255 | V193-V195 HydrophobicContact CG2-CG2 4.25Å; V195-C198 PolarHBondContact O-SG 3.16Å; V195-F211 HydrophobicContact CG1-CE2 4.32Å; V195-F211 HydrophobicContact CG1-CZ 4.25Å; V195-F211 HydrophobicContact CG2-CE2 3.83Å; V195-F211 HydrophobicContact CG2-CZ 3.81Å; V195-F229 CarbonylContact O-C 3.51Å; V195-F229 WeakPolarHBondContact O-CA 3.35Å; V195-F229 WeakPolarHBondContact O-CB 3.47Å; V195-A230 HydrophobicContact CB-CB 4.38Å; V195-A230 PolarHBondContact N-O 2.98Å; V195-A230 PolarHBondContact O-N 2.94Å; V195-V232 HydrophobicContact CG2-CB 4.36Å; V195-V232 HydrophobicContact CG2-CG2 3.72Å; V195-V255 HydrophobicContact CG1-CB 3.88Å; V195-V255 HydrophobicContact CG1-CG1 4.42Å; V195-V255 HydrophobicContact CG1-CG2 3.96Å |
| 196 | G | 84.6 | Confident | 74 | Confident | 5 Ų | 5 | 66.3 Ų | 66.3 | 5% | 0.052 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 165.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F194 C198 V255 H256 | F194-G196 VanDerWaalsContact CE1-CA 3.42Å; G196-C198 PolarHBondContact O-N 3.31Å; G196-V255 WeakPolarHBondContact O-CA 3.29Å; G196-V255 WeakPolarHBondContact O-CB 3.3Å; G196-H256 PolarHBondContact N-O 2.78Å; G196-H256 PolarHBondContact O-N 3.4Å |
| 197 | R | 83.4 | Confident | 76 | Confident | 147 Ų | 147 | 61.8 Ų | 61.8 | 56% | 0.555 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 61.4 | 26.8 | -178 | -49 | -179.4 | -173.1 | 141.5 | 4 | 113.3 | A228 D247 | R197-A228 PolarHBondContact N-O 3.41Å; R197-D247 IonicContact NH1-OD1 2.72Å; R197-D247 PolarHBondContact NH1-OD1 3.47Å |
| 198 | C | 82.7 | Confident | 77.9 | Confident | 7 Ų | 7 | 61.3 Ų | 61.3 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | trans | -65.8 | 151.5 | 170.2 | -56.8 | 0 | 0 | 0 | 0 | 109.8 | V195 G196 M202 F226 A228 | V195-C198 PolarHBondContact O-SG 3.16Å; G196-C198 PolarHBondContact O-N 3.31Å; C198-M202 HydrophobicContact CB-SD 3.96Å; C198-F226 HydrophobicContact CB-CZ 4.37Å; C198-F226 VanDerWaalsContact O-CZ 3.32Å; C198-F226 WeakPolarHBondContact O-CZ 3.17Å; C198-A228 PolarHBondContact N-O 3.42Å; C198-A228 WeakPolarHBondContact O-CA 3.44Å; C198-A228 WeakPolarHBondContact O-CB 3.26Å | ||
| 199 | T | 81.8 | Confident | 79.4 | Confident | 42 Ų | 42 | 64.7 Ų | 64.7 | 26% | 0.258 | 31% | 0.31 | S | S | . | . | trans | -100.5 | 161.1 | 168.9 | 56.6 | 0 | 0 | 0 | 0 | 111.2 | D201 M202 F226 I253 | T199-D201 PolarHBondContact O-N 3.19Å; T199-M202 WeakPolarHBondContact O-CB 3.22Å; T199-M202 PolarHBondContact O-N 3.27Å; T199-F226 WeakPolarHBondContact O-CE2 3.38Å; T199-F226 VanDerWaalsContact O-CZ 3.25Å; T199-F226 WeakPolarHBondContact O-CZ 3.39Å; T199-I253 HydrophobicContact CG2-CD1 3.62Å; T199-I253 HydrophobicContact CG2-CG1 4.39Å; T199-I253 HydrophobicContact CG2-CG2 4.18Å; T199-I253 WeakPolarHBondContact OG1-CD1 3.46Å | ||
| 200 | E | 77.1 | Confident | 80.7 | Confident | 151 Ų | 151 | 61.2 Ų | 61.2 | 71% | 0.706 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -25.2 | -178 | -170.7 | 167.9 | -160.5 | 0 | 0 | 112 | M202 F226 | E200-M202 PolarHBondContact O-N 2.82Å; E200-F226 HydrophobicContact CB-CD1 3.91Å; E200-F226 HydrophobicContact CB-CE1 3.93Å; E200-F226 HydrophobicContact CB-CG 4.24Å; E200-F226 HydrophobicContact CB-CZ 4.27Å; E200-F226 HydrophobicContact CG-CB 4.49Å; E200-F226 HydrophobicContact CG-CD1 4.29Å; E200-F226 HydrophobicContact CG-CG 4.21Å |
| 201 | D | 76.2 | Confident | 81.7 | Confident | 127 Ų | 127 | 59.7 Ų | 59.7 | 68% | 0.679 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -12 | 173 | -58.2 | -82.2 | 0 | 0 | 0 | 114.3 | T199 T203 | T199-D201 PolarHBondContact O-N 3.19Å; D201-T203 PolarHBondContact O-N 3.06Å |
| 202 | M | 77.8 | Confident | 81.8 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.03 | 30% | 0.3 | C | S | . | . | trans | -83.2 | 113.2 | 177.8 | -68.2 | -179.7 | 178.1 | 0 | 0 | 110.5 | C198 T199 E200 I222 I250 I253 V255 | C198-M202 HydrophobicContact CB-SD 3.96Å; T199-M202 WeakPolarHBondContact O-CB 3.22Å; T199-M202 PolarHBondContact O-N 3.27Å; E200-M202 PolarHBondContact O-N 2.82Å; M202-I222 VanDerWaalsContact O-CD1 3.23Å; M202-I222 WeakPolarHBondContact O-CD1 3.39Å; M202-I250 HydrophobicContact CE-CB 3.88Å; M202-I250 HydrophobicContact CE-CG2 4.08Å; M202-I250 WeakPolarHBondContact CE-O 3.19Å; M202-I250 HydrophobicContact SD-CG2 4.49Å; M202-I253 HydrophobicContact CE-CB 3.58Å; M202-I253 HydrophobicContact CE-CD1 3.69Å; M202-I253 HydrophobicContact CE-CG1 4.25Å; M202-I253 HydrophobicContact CE-CG2 3.72Å; M202-V255 HydrophobicContact CE-CG1 3.81Å; M202-V255 HydrophobicContact SD-CG1 3.96Å | ||
| 203 | T | 83.7 | Confident | 81.6 | Confident | 61 Ų | 61 | 62.9 Ų | 62.9 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | trans | -86.8 | 159.9 | 177.6 | 62.7 | 0 | 0 | 0 | 0 | 112.3 | D201 E205 E206 L207 | D201-T203 PolarHBondContact O-N 3.06Å; T203-E205 PolarHBondContact O-N 2.89Å; T203-E206 PolarHBondContact N-OE2 3.01Å; T203-E206 PolarHBondContact O-N 2.88Å; T203-E206 WeakPolarHBondContact OG1-CB 3.1Å; T203-E206 VanDerWaalsContact OG1-CD 3.3Å; T203-E206 WeakPolarHBondContact OG1-CG 3.38Å; T203-E206 PolarHBondContact OG1-N 3.49Å; T203-E206 PolarHBondContact OG1-OE2 3.25Å; T203-L207 PolarHBondContact O-N 2.75Å; T203-L207 VanDerWaalsContact O-N 3.09Å | ||
| 204 | A | 79.5 | Confident | 81.2 | Confident | 39 Ų | 39 | 67.2 Ų | 67.2 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.5 | -35.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q208 V220 I222 | A204-Q208 WeakPolarHBondContact O-CB 3.2Å; A204-Q208 PolarHBondContact O-N 3.27Å; A204-V220 HydrophobicContact CB-CB 4.23Å; A204-V220 HydrophobicContact CB-CG1 3.92Å; A204-I222 HydrophobicContact CB-CD1 4.21Å; A204-I222 HydrophobicContact CB-CG1 4.42Å |
| 205 | E | 78 | Confident | 80.6 | Confident | 141 Ų | 141 | 65.4 Ų | 65.4 | 66% | 0.659 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65 | -43.7 | 177.6 | -62.7 | 175 | 167.4 | 0 | 0 | 111.5 | T203 Q208 Q209 | T203-E205 PolarHBondContact O-N 2.89Å; E205-Q208 WeakPolarHBondContact O-CB 3.42Å; E205-Q208 PolarHBondContact O-N 2.75Å; E205-Q209 WeakPolarHBondContact O-CG 3.35Å; E205-Q209 PolarHBondContact O-N 2.77Å |
| 206 | E | 80.5 | Confident | 80 | Confident | 54 Ų | 54 | 70 Ų | 70 | 25% | 0.252 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 177.2 | -72.9 | 168.5 | 141.7 | 0 | 0 | 112 | T203 Q208 Q209 F210 K251 | T203-E206 PolarHBondContact N-OE2 3.01Å; T203-E206 PolarHBondContact O-N 2.88Å; T203-E206 WeakPolarHBondContact OG1-CB 3.1Å; T203-E206 VanDerWaalsContact OG1-CD 3.3Å; T203-E206 WeakPolarHBondContact OG1-CG 3.38Å; T203-E206 PolarHBondContact OG1-N 3.49Å; T203-E206 PolarHBondContact OG1-OE2 3.25Å; E206-Q208 VanDerWaalsContact C-N 3.3Å; E206-Q208 PolarHBondContact O-N 2.94Å; E206-Q209 PolarHBondContact O-N 2.88Å; E206-F210 VanDerWaalsContact O-CB 3.31Å; E206-F210 WeakPolarHBondContact O-CB 3.27Å; E206-F210 PolarHBondContact O-N 2.97Å; E206-K251 IonicContact OE1-NZ 2.78Å; E206-K251 PolarHBondContact OE1-NZ 3.45Å; E206-K251 IonicContact OE2-NZ 2.7Å |
| 207 | L | 83 | Confident | 79.7 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 173.9 | -71 | 173.7 | 0 | 0 | 0 | 110.3 | T203 F210 F211 V220 I222 A230 I250 | T203-L207 PolarHBondContact O-N 2.75Å; T203-L207 VanDerWaalsContact O-N 3.09Å; L207-F210 PolarHBondContact O-N 3.47Å; L207-F211 HydrophobicContact CB-CD2 4.39Å; L207-F211 HydrophobicContact CD2-CE2 4.05Å; L207-F211 WeakPolarHBondContact O-CB 3.26Å; L207-F211 WeakPolarHBondContact O-CD2 3.5Å; L207-F211 PolarHBondContact O-N 2.82Å; L207-V220 HydrophobicContact CB-CG1 3.89Å; L207-V220 HydrophobicContact CD1-CG1 3.98Å; L207-I222 HydrophobicContact CD1-CD1 3.91Å; L207-I222 HydrophobicContact CD1-CG1 4.15Å; L207-A230 HydrophobicContact CD1-CB 3.47Å; L207-A230 VanDerWaalsContact CD1-CB 3.47Å; L207-I250 HydrophobicContact CD2-CD1 3.69Å |
| 208 | Q | 81.4 | Confident | 79.3 | Confident | 88 Ų | 88 | 66.1 Ų | 66.1 | 41% | 0.411 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.3 | -49.8 | 177.4 | -172.4 | 176.2 | 37.3 | 0 | 0 | 111.7 | A204 E205 E206 F210 F211 C212 V217 V220 | A204-Q208 WeakPolarHBondContact O-CB 3.2Å; A204-Q208 PolarHBondContact O-N 3.27Å; E205-Q208 WeakPolarHBondContact O-CB 3.42Å; E205-Q208 PolarHBondContact O-N 2.75Å; E206-Q208 VanDerWaalsContact C-N 3.3Å; E206-Q208 PolarHBondContact O-N 2.94Å; Q208-F210 PolarHBondContact O-N 2.79Å; Q208-F211 PolarHBondContact O-N 2.89Å; Q208-C212 WeakPolarHBondContact O-CB 3.37Å; Q208-C212 PolarHBondContact O-N 2.72Å; Q208-V217 HydrophobicContact CG-CB 4.05Å; Q208-V217 HydrophobicContact CG-CG1 3.97Å; Q208-V220 HydrophobicContact CB-CG2 3.8Å; Q208-V220 HydrophobicContact CG-CG2 4.36Å |
| 209 | Q | 78.4 | Confident | 78.8 | Confident | 147 Ų | 147 | 69.4 Ų | 69.4 | 69% | 0.687 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -60.1 | -45.6 | 178.4 | -75.3 | 178.3 | 2.7 | 0 | 0 | 111.7 | E205 E206 C212 | E205-Q209 WeakPolarHBondContact O-CG 3.35Å; E205-Q209 PolarHBondContact O-N 2.77Å; E206-Q209 PolarHBondContact O-N 2.88Å; Q209-C212 WeakPolarHBondContact O-CB 3.36Å; Q209-C212 PolarHBondContact O-N 3.36Å |
| 210 | F | 82.9 | Confident | 78.8 | Confident | 47 Ų | 47 | 68.3 Ų | 68.3 | 21% | 0.206 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 178.9 | -177.4 | -93 | 0 | 0 | 0 | 111.7 | E206 L207 Q208 C212 Q213 Y214 L248 I250 | E206-F210 VanDerWaalsContact O-CB 3.31Å; E206-F210 WeakPolarHBondContact O-CB 3.27Å; E206-F210 PolarHBondContact O-N 2.97Å; L207-F210 PolarHBondContact O-N 3.47Å; Q208-F210 PolarHBondContact O-N 2.79Å; F210-C212 VanDerWaalsContact C-N 3.32Å; F210-C212 PolarHBondContact O-N 3.37Å; F210-Q213 VanDerWaalsContact CE2-NE2 3.29Å; F210-Q213 VanDerWaalsContact O-CD 3.3Å; F210-Q213 WeakPolarHBondContact O-CG 2.73Å; F210-Q213 PolarHBondContact O-N 2.83Å; F210-Q213 PolarHBondContact O-NE2 2.98Å; F210-Y214 HydrophobicContact CD1-CE2 4.38Å; F210-Y214 AromaticContact CE1-CE2 3.83Å; F210-Y214 HydrophobicContact CE1-CE2 3.83Å; F210-Y214 HydrophobicContact CZ-CE2 4.27Å; F210-L248 HydrophobicContact CE1-CB 4.11Å; F210-L248 HydrophobicContact CE1-CD1 3.71Å; F210-L248 HydrophobicContact CZ-CB 4.27Å; F210-L248 HydrophobicContact CZ-CD1 4.38Å; F210-I250 HydrophobicContact CD1-CD1 3.59Å; F210-I250 HydrophobicContact CD1-CG1 3.7Å; F210-I250 HydrophobicContact CD2-CG1 4.14Å; F210-I250 HydrophobicContact CE1-CD1 3.86Å; F210-I250 HydrophobicContact CE1-CG1 3.61Å; F210-I250 HydrophobicContact CE2-CG1 4.07Å; F210-I250 HydrophobicContact CG-CD1 4.07Å; F210-I250 HydrophobicContact CG-CG1 3.96Å; F210-I250 HydrophobicContact CZ-CG1 3.81Å |
| 211 | F | 84.1 | Confident | 79 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -75.7 | -20.3 | -178.5 | -78.5 | -65.8 | 0 | 0 | 0 | 113.8 | V195 L207 Q208 Q213 Y214 G215 V217 V232 F234 L243 L248 I250 I257 | V195-F211 HydrophobicContact CG1-CE2 4.32Å; V195-F211 HydrophobicContact CG1-CZ 4.25Å; V195-F211 HydrophobicContact CG2-CE2 3.83Å; V195-F211 HydrophobicContact CG2-CZ 3.81Å; L207-F211 HydrophobicContact CB-CD2 4.39Å; L207-F211 HydrophobicContact CD2-CE2 4.05Å; L207-F211 WeakPolarHBondContact O-CB 3.26Å; L207-F211 WeakPolarHBondContact O-CD2 3.5Å; L207-F211 PolarHBondContact O-N 2.82Å; Q208-F211 PolarHBondContact O-N 2.89Å; F211-Q213 PolarHBondContact O-N 3.01Å; F211-Q213 VanDerWaalsContact O-N 3.15Å; F211-Y214 HydrophobicContact CD1-CD2 4.14Å; F211-Y214 PolarHBondContact O-N 2.64Å; F211-G215 PolarHBondContact O-N 3.05Å; F211-V217 HydrophobicContact CB-CG2 3.53Å; F211-V232 HydrophobicContact CB-CG1 4.13Å; F211-V232 HydrophobicContact CD2-CB 4.36Å; F211-V232 HydrophobicContact CD2-CG1 4.11Å; F211-V232 HydrophobicContact CD2-CG2 3.67Å; F211-V232 HydrophobicContact CE2-CG2 3.82Å; F211-V232 HydrophobicContact CG-CG1 4.12Å; F211-V232 HydrophobicContact CG-CG2 4.47Å; F211-F234 HydrophobicContact CB-CE1 3.99Å; F211-F234 HydrophobicContact CB-CZ 3.82Å; F211-F234 AromaticContact CD1-CZ 3.67Å; F211-F234 HydrophobicContact CD1-CZ 3.67Å; F211-F234 AromaticContact CG-CZ 3.97Å; F211-F234 HydrophobicContact CG-CZ 3.97Å; F211-L243 HydrophobicContact CD1-CD1 4.06Å; F211-L243 HydrophobicContact CE1-CD1 4.24Å; F211-L248 HydrophobicContact CE1-CD1 3.75Å; F211-L248 HydrophobicContact CZ-CD1 4.35Å; F211-I250 HydrophobicContact CE2-CD1 4.18Å; F211-I250 HydrophobicContact CZ-CD1 4.4Å; F211-I257 HydrophobicContact CE1-CD1 3.47Å; F211-I257 VanDerWaalsContact CE1-CD1 3.47Å; F211-I257 HydrophobicContact CZ-CD1 3.74Å; F211-I257 HydrophobicContact CZ-CG1 4.39Å |
| 212 | C | 78.1 | Confident | 79.3 | Confident | 78 Ų | 78 | 61.7 Ų | 61.7 | 53% | 0.527 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.2 | -26 | 174.6 | -159.5 | 0 | 0 | 0 | 0 | 112.8 | Q208 Q209 F210 Y214 G215 | Q208-C212 WeakPolarHBondContact O-CB 3.37Å; Q208-C212 PolarHBondContact O-N 2.72Å; Q209-C212 WeakPolarHBondContact O-CB 3.36Å; Q209-C212 PolarHBondContact O-N 3.36Å; F210-C212 VanDerWaalsContact C-N 3.32Å; F210-C212 PolarHBondContact O-N 3.37Å; C212-Y214 PolarHBondContact O-N 2.84Å; C212-G215 WeakPolarHBondContact CA-O 3.39Å; C212-G215 PolarHBondContact O-N 2.87Å |
| 213 | Q | 78.9 | Confident | 79.2 | Confident | 122 Ų | 122 | 61.8 Ų | 61.8 | 57% | 0.57 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -23.7 | 176.8 | 81.9 | -167.3 | -48.6 | 0 | 0 | 113.4 | F210 F211 | F210-Q213 VanDerWaalsContact CE2-NE2 3.29Å; F210-Q213 VanDerWaalsContact O-CD 3.3Å; F210-Q213 WeakPolarHBondContact O-CG 2.73Å; F210-Q213 PolarHBondContact O-N 2.83Å; F210-Q213 PolarHBondContact O-NE2 2.98Å; F211-Q213 PolarHBondContact O-N 3.01Å; F211-Q213 VanDerWaalsContact O-N 3.15Å |
| 214 | Y | 77.6 | Confident | 79 | Confident | 93 Ų | 93 | 68.3 Ų | 68.3 | 37% | 0.365 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -25.3 | -179.6 | -60.1 | -75.9 | 0 | 0 | 0 | 112.5 | F210 F211 C212 V239 L243 L248 | F210-Y214 HydrophobicContact CD1-CE2 4.38Å; F210-Y214 AromaticContact CE1-CE2 3.83Å; F210-Y214 HydrophobicContact CE1-CE2 3.83Å; F210-Y214 HydrophobicContact CZ-CE2 4.27Å; F211-Y214 HydrophobicContact CD1-CD2 4.14Å; F211-Y214 PolarHBondContact O-N 2.64Å; C212-Y214 PolarHBondContact O-N 2.84Å; Y214-V239 WeakPolarHBondContact O-CG1 3.17Å; Y214-L243 HydrophobicContact CD1-CD2 3.76Å; Y214-L243 HydrophobicContact CD2-CD1 4.39Å; Y214-L243 HydrophobicContact CD2-CD2 4.17Å; Y214-L243 HydrophobicContact CE1-CD2 4.11Å; Y214-L243 HydrophobicContact CE2-CD2 4.49Å; Y214-L243 HydrophobicContact CG-CD1 4.21Å; Y214-L243 HydrophobicContact CG-CD2 3.8Å; Y214-L248 HydrophobicContact CE2-CD1 3.74Å |
| 215 | G | 74.9 | Confident | 79.1 | Confident | 18 Ų | 18 | 71.1 Ų | 71.1 | 19% | 0.186 | 36% | 0.355 | C | S | . | . | S | Bend | trans | 171.8 | 169.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F211 C212 V217 | F211-G215 PolarHBondContact O-N 3.05Å; C212-G215 WeakPolarHBondContact CA-O 3.39Å; C212-G215 PolarHBondContact O-N 2.87Å; G215-V217 PolarHBondContact O-N 3.07Å |
| 216 | E | 74.8 | Confident | 79.2 | Confident | 96 Ų | 96 | 67.6 Ų | 67.6 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | trans | -64.3 | 117.7 | -178.3 | -174 | -178.6 | 175.4 | 0 | 0 | 111.3 | Q101 F234 A235 | Q101-E216 VanDerWaalsContact NE2-CD 3.32Å; Q101-E216 PolarHBondContact NE2-OE1 2.73Å; Q101-E216 VanDerWaalsContact NE2-OE1 3.09Å; Q101-E216 PolarHBondContact NE2-OE2 2.63Å; E216-F234 CarbonylContact O-C 3.59Å; E216-F234 WeakPolarHBondContact O-CA 3.43Å; E216-A235 HydrophobicContact CB-CB 3.95Å; E216-A235 HydrophobicContact CG-CB 4.23Å; E216-A235 PolarHBondContact O-N 3.18Å | ||
| 217 | V | 78.4 | Confident | 79.2 | Confident | 15 Ų | 15 | 72 Ų | 72 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 116.1 | 179.9 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | Q208 F211 G215 V220 V232 F234 | Q208-V217 HydrophobicContact CG-CB 4.05Å; Q208-V217 HydrophobicContact CG-CG1 3.97Å; F211-V217 HydrophobicContact CB-CG2 3.53Å; G215-V217 PolarHBondContact O-N 3.07Å; V217-V220 HydrophobicContact CG1-CG2 3.59Å; V217-V232 HydrophobicContact CG1-CG1 3.78Å; V217-V232 HydrophobicContact CG2-CG1 4.26Å; V217-F234 HydrophobicContact CG2-CD1 4.14Å; V217-F234 HydrophobicContact CG2-CE1 3.8Å |
| 218 | V | 75 | Confident | 79.2 | Confident | 57 Ų | 57 | 74.1 Ų | 74.1 | 35% | 0.345 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -39.4 | -179.2 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | T233 A235 | V218-T233 PolarHBondContact N-O 2.81Å; V218-A235 HydrophobicContact CG2-CB 3.86Å |
| 219 | D | 73.7 | Confident | 79.5 | Confident | 75 Ų | 75 | 71.7 Ų | 71.7 | 40% | 0.401 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 140.9 | -175 | -179 | 41.7 | 0 | 0 | 0 | 111.5 | V232 T233 | D219-V232 CarbonylContact O-C 3.59Å; D219-T233 PolarHBondContact N-O 2.92Å; D219-T233 PolarHBondContact O-N 3.12Å |
| 220 | V | 81.3 | Confident | 79.8 | Confident | 20 Ų | 20 | 64.7 Ų | 64.7 | 12% | 0.121 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 121.9 | 172 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | A204 L207 Q208 V217 F231 V232 | A204-V220 HydrophobicContact CB-CB 4.23Å; A204-V220 HydrophobicContact CB-CG1 3.92Å; L207-V220 HydrophobicContact CB-CG1 3.89Å; L207-V220 HydrophobicContact CD1-CG1 3.98Å; Q208-V220 HydrophobicContact CB-CG2 3.8Å; Q208-V220 HydrophobicContact CG-CG2 4.36Å; V217-V220 HydrophobicContact CG1-CG2 3.59Å; V220-F231 CarbonylContact C-O 3.56Å; V220-F231 WeakPolarHBondContact CA-O 3.16Å; V220-V232 HydrophobicContact CG1-CG2 4.31Å; V220-V232 HydrophobicContact CG2-CG1 4.39Å; V220-V232 HydrophobicContact CG2-CG2 4.26Å |
| 221 | F | 81.1 | Confident | 80 | Confident | 99 Ų | 99 | 63.4 Ų | 63.4 | 43% | 0.434 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 114.2 | -177.9 | 179.3 | -109.6 | 0 | 0 | 0 | 111.3 | P223 A230 F231 | F221-P223 HydrophobicContact CD1-CG 4.18Å; F221-P223 HydrophobicContact CE1-CB 4.08Å; F221-P223 HydrophobicContact CE1-CG 3.72Å; F221-P223 HydrophobicContact CZ-CB 4.38Å; F221-P223 HydrophobicContact CZ-CG 4.47Å; F221-A230 CarbonylContact O-C 3.51Å; F221-A230 WeakPolarHBondContact O-CA 3.31Å; F221-F231 HydrophobicContact CB-CB 4.43Å; F221-F231 AromaticContact CD1-CD2 3.81Å; F221-F231 HydrophobicContact CD1-CD2 3.81Å; F221-F231 HydrophobicContact CD1-CE2 4.37Å; F221-F231 PolarHBondContact N-O 2.82Å; F221-F231 PolarHBondContact O-N 3.44Å |
| 222 | I | 81.9 | Confident | 80.2 | Confident | 40 Ų | 40 | 63.4 Ų | 63.4 | 21% | 0.205 | 32% | 0.319 | C | S | . | . | trans | -103.3 | 111.1 | 171.3 | -51.4 | -178.1 | 0 | 0 | 0 | 107.8 | M202 A204 L207 F226 A230 | M202-I222 VanDerWaalsContact O-CD1 3.23Å; M202-I222 WeakPolarHBondContact O-CD1 3.39Å; A204-I222 HydrophobicContact CB-CD1 4.21Å; A204-I222 HydrophobicContact CB-CG1 4.42Å; L207-I222 HydrophobicContact CD1-CD1 3.91Å; L207-I222 HydrophobicContact CD1-CG1 4.15Å; I222-F226 HydrophobicContact CG2-CD2 4.04Å; I222-F226 HydrophobicContact CG2-CE2 4.28Å; I222-A230 HydrophobicContact CG1-CB 3.88Å | ||
| 223 | P | 76.1 | Confident | 80.3 | Confident | 8 Ų | 8 | 60.8 Ų | 60.8 | 5% | 0.052 | 30% | 0.301 | C | S | . | . | trans | -60.9 | 139.8 | 179.2 | -19.1 | 29.6 | 0 | 0 | 0 | 112.1 | F221 P225 F229 F231 | F221-P223 HydrophobicContact CD1-CG 4.18Å; F221-P223 HydrophobicContact CE1-CB 4.08Å; F221-P223 HydrophobicContact CE1-CG 3.72Å; F221-P223 HydrophobicContact CZ-CB 4.38Å; F221-P223 HydrophobicContact CZ-CG 4.47Å; P223-P225 CarbonylContact C-O 3.51Å; P223-P225 CarbonylContact O-C 3.5Å; P223-F229 WeakPolarHBondContact CD-O 3.37Å; P223-F229 HydrophobicContact CG-CD2 4.04Å; P223-F229 HydrophobicContact CG-CE2 3.46Å; P223-F229 VanDerWaalsContact CG-CE2 3.46Å; P223-F229 HydrophobicContact CG-CZ 3.94Å; P223-F231 HydrophobicContact CG-CD2 4.45Å; P223-F231 HydrophobicContact CG-CE2 4.18Å | ||
| 224 | K | 79.1 | Confident | 80.4 | Confident | 198 Ų | 198 | 55.1 Ų | 55.1 | 86% | 0.861 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -106.7 | 138.5 | 167.4 | -64.6 | -172.2 | 179.6 | -177.4 | 0 | 109.8 | ||
| 225 | P | 81.4 | Confident | 80.2 | Confident | 97 Ų | 97 | 52.4 Ų | 52.4 | 63% | 0.63 | 27% | 0.271 | S | S | * | . | S | Bend | cis | -60.6 | 155.3 | -7.5 | 29.5 | -36.2 | 0 | 0 | 0 | 111 | P223 R227 | P223-P225 CarbonylContact C-O 3.51Å; P223-P225 CarbonylContact O-C 3.5Å; P225-R227 WeakPolarHBondContact O-CG 3.3Å; P225-R227 PolarHBondContact O-N 2.92Å |
| 226 | F | 81.6 | Confident | 80 | Confident | 67 Ų | 67 | 55 Ų | 55 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | trans | -57.4 | 134.8 | -177.1 | -179.6 | -104.4 | 0 | 0 | 0 | 110.9 | C198 T199 E200 I222 A228 | C198-F226 HydrophobicContact CB-CZ 4.37Å; C198-F226 VanDerWaalsContact O-CZ 3.32Å; C198-F226 WeakPolarHBondContact O-CZ 3.17Å; T199-F226 WeakPolarHBondContact O-CE2 3.38Å; T199-F226 VanDerWaalsContact O-CZ 3.25Å; T199-F226 WeakPolarHBondContact O-CZ 3.39Å; E200-F226 HydrophobicContact CB-CD1 3.91Å; E200-F226 HydrophobicContact CB-CE1 3.93Å; E200-F226 HydrophobicContact CB-CG 4.24Å; E200-F226 HydrophobicContact CB-CZ 4.27Å; E200-F226 HydrophobicContact CG-CB 4.49Å; E200-F226 HydrophobicContact CG-CD1 4.29Å; E200-F226 HydrophobicContact CG-CG 4.21Å; I222-F226 HydrophobicContact CG2-CD2 4.04Å; I222-F226 HydrophobicContact CG2-CE2 4.28Å; F226-A228 HydrophobicContact CE1-CB 4.09Å; F226-A228 VanDerWaalsContact CE1-N 3.34Å; F226-A228 VanDerWaalsContact CZ-CA 3.43Å; F226-A228 HydrophobicContact CZ-CB 4.33Å | ||
| 227 | R | 80.4 | Confident | 79.9 | Confident | 148 Ų | 148 | 52.7 Ų | 52.7 | 56% | 0.558 | 27% | 0.271 | S | S | * | . | trans | -128.2 | 21.6 | -176.1 | -67.1 | -180 | -171 | -162.8 | -1.2 | 113.8 | P225 F229 | P225-R227 WeakPolarHBondContact O-CG 3.3Å; P225-R227 PolarHBondContact O-N 2.92Å; R227-F229 HydrophobicContact CB-CD1 3.59Å; R227-F229 HydrophobicContact CB-CE1 3.21Å; R227-F229 HydrophobicContact CB-CZ 4.02Å; R227-F229 HydrophobicContact CG-CE1 4.12Å; R227-F229 WeakPolarHBondContact O-CD1 3.32Å; R227-F229 PolarHBondContact O-N 3.34Å | ||
| 228 | A | 82.7 | Confident | 79.8 | Confident | 44 Ų | 44 | 59 Ų | 59 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 59.5 | 26.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R197 C198 F226 | R197-A228 PolarHBondContact N-O 3.41Å; C198-A228 PolarHBondContact N-O 3.42Å; C198-A228 WeakPolarHBondContact O-CA 3.44Å; C198-A228 WeakPolarHBondContact O-CB 3.26Å; F226-A228 HydrophobicContact CE1-CB 4.09Å; F226-A228 VanDerWaalsContact CE1-N 3.34Å; F226-A228 VanDerWaalsContact CZ-CA 3.43Å; F226-A228 HydrophobicContact CZ-CB 4.33Å |
| 229 | F | 86.1 | Confident | 80.1 | Confident | 36 Ų | 36 | 57.3 Ų | 57.3 | 16% | 0.158 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 158.3 | 172.8 | 67.9 | -97.2 | 0 | 0 | 0 | 112.2 | F194 V195 P223 R227 F231 | F194-F229 HydrophobicContact CD2-CB 4.3Å; F194-F229 AromaticContact CD2-CD2 3.99Å; F194-F229 HydrophobicContact CD2-CD2 3.99Å; F194-F229 HydrophobicContact CD2-CG 4.34Å; F194-F229 HydrophobicContact CE1-CB 4.26Å; F194-F229 HydrophobicContact CE2-CB 3.41Å; F194-F229 VanDerWaalsContact CE2-CB 3.41Å; F194-F229 HydrophobicContact CE2-CD1 4.03Å; F194-F229 AromaticContact CE2-CD2 3.39Å; F194-F229 HydrophobicContact CE2-CD2 3.39Å; F194-F229 HydrophobicContact CE2-CE2 4.07Å; F194-F229 AromaticContact CE2-CG 3.37Å; F194-F229 HydrophobicContact CE2-CG 3.37Å; F194-F229 HydrophobicContact CZ-CB 3.38Å; F194-F229 HydrophobicContact CZ-CD1 4.26Å; F194-F229 HydrophobicContact CZ-CD2 4.25Å; F194-F229 AromaticContact CZ-CG 3.77Å; F194-F229 HydrophobicContact CZ-CG 3.77Å; V195-F229 CarbonylContact O-C 3.51Å; V195-F229 WeakPolarHBondContact O-CA 3.35Å; V195-F229 WeakPolarHBondContact O-CB 3.47Å; P223-F229 WeakPolarHBondContact CD-O 3.37Å; P223-F229 HydrophobicContact CG-CD2 4.04Å; P223-F229 HydrophobicContact CG-CE2 3.46Å; P223-F229 VanDerWaalsContact CG-CE2 3.46Å; P223-F229 HydrophobicContact CG-CZ 3.94Å; R227-F229 HydrophobicContact CB-CD1 3.59Å; R227-F229 HydrophobicContact CB-CE1 3.21Å; R227-F229 HydrophobicContact CB-CZ 4.02Å; R227-F229 HydrophobicContact CG-CE1 4.12Å; R227-F229 WeakPolarHBondContact O-CD1 3.32Å; R227-F229 PolarHBondContact O-N 3.34Å; F229-F231 HydrophobicContact CD2-CD2 4.44Å; F229-F231 AromaticContact CD2-CE2 3.94Å; F229-F231 HydrophobicContact CD2-CE2 3.94Å; F229-F231 HydrophobicContact CD2-CZ 4.22Å; F229-F231 HydrophobicContact CE2-CD2 4.37Å; F229-F231 AromaticContact CE2-CE2 3.51Å; F229-F231 HydrophobicContact CE2-CE2 3.51Å; F229-F231 AromaticContact CE2-CZ 3.81Å; F229-F231 HydrophobicContact CE2-CZ 3.81Å |
| 230 | A | 86.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 167.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | V195 L207 F221 I222 | V195-A230 HydrophobicContact CB-CB 4.38Å; V195-A230 PolarHBondContact N-O 2.98Å; V195-A230 PolarHBondContact O-N 2.94Å; L207-A230 HydrophobicContact CD1-CB 3.47Å; L207-A230 VanDerWaalsContact CD1-CB 3.47Å; F221-A230 CarbonylContact O-C 3.51Å; F221-A230 WeakPolarHBondContact O-CA 3.31Å; I222-A230 HydrophobicContact CG1-CB 3.88Å |
| 231 | F | 86.7 | Confident | 80.3 | Confident | 20 Ų | 20 | 56.5 Ų | 56.5 | 9% | 0.088 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 138 | 168.4 | -62.3 | -86.2 | 0 | 0 | 0 | 109.3 | K192 V193 F194 V220 F221 P223 F229 A260 | K192-F231 HydrophobicContact CD-CB 3.9Å; K192-F231 HydrophobicContact CD-CD1 3.92Å; K192-F231 HydrophobicContact CD-CG 4.15Å; K192-F231 HydrophobicContact CG-CB 4.15Å; K192-F231 HydrophobicContact CG-CD1 4.24Å; V193-F231 WeakPolarHBondContact O-CA 3.34Å; F194-F231 HydrophobicContact CB-CD1 4.4Å; F194-F231 HydrophobicContact CB-CE1 4.34Å; F194-F231 HydrophobicContact CD2-CD1 4.39Å; F194-F231 AromaticContact CD2-CE1 3.82Å; F194-F231 HydrophobicContact CD2-CE1 3.82Å; F194-F231 HydrophobicContact CD2-CZ 4.18Å; V220-F231 CarbonylContact C-O 3.56Å; V220-F231 WeakPolarHBondContact CA-O 3.16Å; F221-F231 HydrophobicContact CB-CB 4.43Å; F221-F231 AromaticContact CD1-CD2 3.81Å; F221-F231 HydrophobicContact CD1-CD2 3.81Å; F221-F231 HydrophobicContact CD1-CE2 4.37Å; F221-F231 PolarHBondContact N-O 2.82Å; F221-F231 PolarHBondContact O-N 3.44Å; P223-F231 HydrophobicContact CG-CD2 4.45Å; P223-F231 HydrophobicContact CG-CE2 4.18Å; F229-F231 HydrophobicContact CD2-CD2 4.44Å; F229-F231 AromaticContact CD2-CE2 3.94Å; F229-F231 HydrophobicContact CD2-CE2 3.94Å; F229-F231 HydrophobicContact CD2-CZ 4.22Å; F229-F231 HydrophobicContact CE2-CD2 4.37Å; F229-F231 AromaticContact CE2-CE2 3.51Å; F229-F231 HydrophobicContact CE2-CE2 3.51Å; F229-F231 AromaticContact CE2-CZ 3.81Å; F229-F231 HydrophobicContact CE2-CZ 3.81Å; F231-A260 HydrophobicContact CD1-CB 3.91Å; F231-A260 HydrophobicContact CE1-CB 4.11Å |
| 232 | V | 87 | Confident | 80.3 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 129.7 | 175.7 | 179.5 | 0 | 0 | 0 | 0 | 107.7 | K192 V193 V195 F211 V217 D219 V220 F234 | K192-V232 CarbonylContact C-O 3.58Å; K192-V232 VanDerWaalsContact CA-O 3.32Å; K192-V232 WeakPolarHBondContact CA-O 3.42Å; V193-V232 HydrophobicContact CG2-CB 3.82Å; V193-V232 WeakPolarHBondContact CG2-O 3.4Å; V193-V232 PolarHBondContact N-O 3.01Å; V193-V232 PolarHBondContact O-N 3.14Å; V195-V232 HydrophobicContact CG2-CB 4.36Å; V195-V232 HydrophobicContact CG2-CG2 3.72Å; F211-V232 HydrophobicContact CB-CG1 4.13Å; F211-V232 HydrophobicContact CD2-CB 4.36Å; F211-V232 HydrophobicContact CD2-CG1 4.11Å; F211-V232 HydrophobicContact CD2-CG2 3.67Å; F211-V232 HydrophobicContact CE2-CG2 3.82Å; F211-V232 HydrophobicContact CG-CG1 4.12Å; F211-V232 HydrophobicContact CG-CG2 4.47Å; V217-V232 HydrophobicContact CG1-CG1 3.78Å; V217-V232 HydrophobicContact CG2-CG1 4.26Å; D219-V232 CarbonylContact O-C 3.59Å; V220-V232 HydrophobicContact CG1-CG2 4.31Å; V220-V232 HydrophobicContact CG2-CG1 4.39Å; V220-V232 HydrophobicContact CG2-CG2 4.26Å; V232-F234 HydrophobicContact CB-CE2 4.45Å; V232-F234 HydrophobicContact CG1-CD2 4.34Å; V232-F234 HydrophobicContact CG1-CE1 4.46Å; V232-F234 HydrophobicContact CG1-CE2 3.82Å; V232-F234 HydrophobicContact CG1-CZ 3.89Å |
| 233 | T | 80.4 | Confident | 80.3 | Confident | 24 Ų | 24 | 54 Ų | 54 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.3 | 178.2 | -45.6 | 0 | 0 | 0 | 0 | 108.4 | R191 K192 V218 D219 | R191-T233 HydrophobicContact CB-CG2 4.38Å; R191-T233 WeakPolarHBondContact O-CA 3.48Å; K192-T233 HydrophobicContact CB-CG2 4.45Å; K192-T233 WeakPolarHBondContact CE-OG1 3.49Å; V218-T233 PolarHBondContact N-O 2.81Å; D219-T233 PolarHBondContact N-O 2.92Å; D219-T233 PolarHBondContact O-N 3.12Å |
| 234 | F | 81.8 | Confident | 80.5 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 158.3 | 175.9 | -68.8 | -83.2 | 0 | 0 | 0 | 111.6 | R191 V193 F211 E216 V217 V232 D236 V239 A240 L243 | R191-F234 WeakPolarHBondContact CB-O 3.48Å; R191-F234 PolarHBondContact O-N 3.16Å; V193-F234 HydrophobicContact CG1-CD2 4.48Å; V193-F234 HydrophobicContact CG1-CE2 4.31Å; V193-F234 HydrophobicContact CG2-CD2 4.39Å; V193-F234 HydrophobicContact CG2-CE2 3.77Å; F211-F234 HydrophobicContact CB-CE1 3.99Å; F211-F234 HydrophobicContact CB-CZ 3.82Å; F211-F234 AromaticContact CD1-CZ 3.67Å; F211-F234 HydrophobicContact CD1-CZ 3.67Å; F211-F234 AromaticContact CG-CZ 3.97Å; F211-F234 HydrophobicContact CG-CZ 3.97Å; E216-F234 CarbonylContact O-C 3.59Å; E216-F234 WeakPolarHBondContact O-CA 3.43Å; V217-F234 HydrophobicContact CG2-CD1 4.14Å; V217-F234 HydrophobicContact CG2-CE1 3.8Å; V232-F234 HydrophobicContact CB-CE2 4.45Å; V232-F234 HydrophobicContact CG1-CD2 4.34Å; V232-F234 HydrophobicContact CG1-CE1 4.46Å; V232-F234 HydrophobicContact CG1-CE2 3.82Å; V232-F234 HydrophobicContact CG1-CZ 3.89Å; F234-D236 VanDerWaalsContact C-N 3.35Å; F234-D236 WeakPolarHBondContact CB-O 3.05Å; F234-V239 HydrophobicContact CD1-CB 4.35Å; F234-V239 HydrophobicContact CD1-CG1 3.65Å; F234-V239 HydrophobicContact CD2-CG1 4.43Å; F234-V239 HydrophobicContact CE1-CG1 3.74Å; F234-V239 HydrophobicContact CG-CB 4.36Å; F234-V239 HydrophobicContact CG-CG1 4Å; F234-V239 HydrophobicContact CZ-CG1 4.18Å; F234-A240 HydrophobicContact CD2-CB 4.03Å; F234-L243 HydrophobicContact CE1-CD1 4.21Å; F234-L243 HydrophobicContact CE2-CD1 3.72Å; F234-L243 HydrophobicContact CZ-CD1 3.39Å |
| 235 | A | 72.6 | Confident | 80.3 | Confident | 36 Ų | 36 | 48.1 Ų | 48.1 | 30% | 0.298 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -67.3 | -39.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | R191 E216 V218 | R191-A235 WeakPolarHBondContact CD-O 3.27Å; E216-A235 HydrophobicContact CB-CB 3.95Å; E216-A235 HydrophobicContact CG-CB 4.23Å; E216-A235 PolarHBondContact O-N 3.18Å; V218-A235 HydrophobicContact CG2-CB 3.86Å |
| 236 | D | 71.1 | Confident | 79.9 | Confident | 72 Ų | 72 | 48.6 Ų | 48.6 | 39% | 0.385 | 26% | 0.263 | S | S | . | . | trans | -105.4 | 130.8 | -177.5 | -164.4 | -29.7 | 0 | 0 | 0 | 111.5 | F234 K238 V239 | F234-D236 VanDerWaalsContact C-N 3.35Å; F234-D236 WeakPolarHBondContact CB-O 3.05Å; D236-K238 VanDerWaalsContact C-N 3.3Å; D236-K238 WeakPolarHBondContact OD1-CB 3.4Å; D236-K238 WeakPolarHBondContact OD1-CG 3.4Å; D236-K238 PolarHBondContact OD1-N 3.15Å; D236-V239 HydrophobicContact CB-CG2 4.04Å | ||
| 237 | D | 73.4 | Confident | 79.9 | Confident | 48 Ų | 48 | 49.2 Ų | 49.2 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.9 | -26.8 | 176.4 | 60.9 | -74 | 0 | 0 | 0 | 112.8 | R189 R191 V239 A240 Q241 | R189-D237 HydrophobicContact CB-CB 4.4Å; R189-D237 VanDerWaalsContact CD-OD2 3.25Å; R189-D237 WeakPolarHBondContact CD-OD2 3.14Å; R189-D237 IonicContact NE-OD2 2.73Å; R189-D237 PolarHBondContact NE-OD2 3.29Å; R191-D237 HydrophobicContact CG-CB 3.81Å; D237-V239 VanDerWaalsContact C-N 3.33Å; D237-V239 PolarHBondContact O-N 3.2Å; D237-A240 PolarHBondContact O-N 3.43Å; D237-Q241 WeakPolarHBondContact O-CG 3.3Å; D237-Q241 PolarHBondContact O-N 3.42Å |
| 238 | K | 75.5 | Confident | 79.9 | Confident | 147 Ų | 147 | 43 Ų | 43 | 64% | 0.639 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -65.4 | -38.1 | 177.4 | -64.4 | -178.9 | 178.7 | -178.6 | 0 | 112.1 | D236 Q241 S242 | D236-K238 VanDerWaalsContact C-N 3.3Å; D236-K238 WeakPolarHBondContact OD1-CB 3.4Å; D236-K238 WeakPolarHBondContact OD1-CG 3.4Å; D236-K238 PolarHBondContact OD1-N 3.15Å; K238-Q241 PolarHBondContact O-N 3.16Å; K238-S242 WeakPolarHBondContact O-CB 3.49Å; K238-S242 PolarHBondContact O-N 2.72Å; K238-S242 PolarHBondContact O-OG 2.74Å |
| 239 | V | 81.7 | Confident | 79.7 | Confident | 22 Ų | 22 | 46.4 Ų | 46.4 | 13% | 0.133 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.8 | -49.2 | 176.1 | 177.4 | 0 | 0 | 0 | 0 | 109.5 | Y214 F234 D236 D237 Q241 S242 L243 | Y214-V239 WeakPolarHBondContact O-CG1 3.17Å; F234-V239 HydrophobicContact CD1-CB 4.35Å; F234-V239 HydrophobicContact CD1-CG1 3.65Å; F234-V239 HydrophobicContact CD2-CG1 4.43Å; F234-V239 HydrophobicContact CE1-CG1 3.74Å; F234-V239 HydrophobicContact CG-CB 4.36Å; F234-V239 HydrophobicContact CG-CG1 4Å; F234-V239 HydrophobicContact CZ-CG1 4.18Å; D236-V239 HydrophobicContact CB-CG2 4.04Å; D237-V239 VanDerWaalsContact C-N 3.33Å; D237-V239 PolarHBondContact O-N 3.2Å; V239-Q241 VanDerWaalsContact C-N 3.26Å; V239-Q241 PolarHBondContact O-N 2.82Å; V239-S242 WeakPolarHBondContact CA-OG 3.31Å; V239-S242 PolarHBondContact O-N 2.72Å; V239-S242 VanDerWaalsContact O-N 3.16Å; V239-S242 PolarHBondContact O-OG 3.43Å; V239-L243 HydrophobicContact CG1-CD1 3.99Å; V239-L243 WeakPolarHBondContact O-CG 3.29Å; V239-L243 PolarHBondContact O-N 3.25Å; V239-L243 VanDerWaalsContact O-N 3.09Å |
| 240 | A | 79.9 | Confident | 79.4 | Confident | 2 Ų | 2 | 45 Ų | 45 | 2% | 0.017 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.6 | -38.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S190 V193 F234 D237 C244 | S190-A240 WeakPolarHBondContact O-CB 3.09Å; V193-A240 HydrophobicContact CG1-CB 3.65Å; V193-A240 WeakPolarHBondContact CG1-O 3.42Å; F234-A240 HydrophobicContact CD2-CB 4.03Å; D237-A240 PolarHBondContact O-N 3.43Å; A240-C244 PolarHBondContact O-N 3.35Å |
| 241 | Q | 78.5 | Confident | 78.7 | Confident | 76 Ų | 76 | 51.6 Ų | 51.6 | 36% | 0.355 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.8 | -44.3 | 175.1 | -74.1 | -169.3 | -42.1 | 0 | 0 | 113 | R189 D237 K238 V239 L243 C244 | R189-Q241 VanDerWaalsContact CD-NE2 3.25Å; R189-Q241 VanDerWaalsContact CG-NE2 3.26Å; D237-Q241 WeakPolarHBondContact O-CG 3.3Å; D237-Q241 PolarHBondContact O-N 3.42Å; K238-Q241 PolarHBondContact O-N 3.16Å; V239-Q241 VanDerWaalsContact C-N 3.26Å; V239-Q241 PolarHBondContact O-N 2.82Å; Q241-L243 PolarHBondContact O-N 3.03Å; Q241-C244 WeakPolarHBondContact O-CB 3.11Å; Q241-C244 PolarHBondContact O-N 2.66Å; Q241-C244 VanDerWaalsContact O-N 3.12Å |
| 242 | S | 81.2 | Confident | 78 | Confident | 79 Ų | 79 | 54 Ų | 54 | 55% | 0.552 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65 | -27.7 | -178.5 | 66.6 | 0 | 0 | 0 | 0 | 113.3 | K238 V239 | K238-S242 WeakPolarHBondContact O-CB 3.49Å; K238-S242 PolarHBondContact O-N 2.72Å; K238-S242 PolarHBondContact O-OG 2.74Å; V239-S242 WeakPolarHBondContact CA-OG 3.31Å; V239-S242 PolarHBondContact O-N 2.72Å; V239-S242 VanDerWaalsContact O-N 3.16Å; V239-S242 PolarHBondContact O-OG 3.43Å |
| 243 | L | 82.7 | Confident | 77.6 | Confident | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -14.4 | 177.1 | -65.6 | 176 | 0 | 0 | 0 | 112.8 | F211 Y214 F234 V239 Q241 G245 E246 L248 I257 | F211-L243 HydrophobicContact CD1-CD1 4.06Å; F211-L243 HydrophobicContact CE1-CD1 4.24Å; Y214-L243 HydrophobicContact CD1-CD2 3.76Å; Y214-L243 HydrophobicContact CD2-CD1 4.39Å; Y214-L243 HydrophobicContact CD2-CD2 4.17Å; Y214-L243 HydrophobicContact CE1-CD2 4.11Å; Y214-L243 HydrophobicContact CE2-CD2 4.49Å; Y214-L243 HydrophobicContact CG-CD1 4.21Å; Y214-L243 HydrophobicContact CG-CD2 3.8Å; F234-L243 HydrophobicContact CE1-CD1 4.21Å; F234-L243 HydrophobicContact CE2-CD1 3.72Å; F234-L243 HydrophobicContact CZ-CD1 3.39Å; V239-L243 HydrophobicContact CG1-CD1 3.99Å; V239-L243 WeakPolarHBondContact O-CG 3.29Å; V239-L243 PolarHBondContact O-N 3.25Å; V239-L243 VanDerWaalsContact O-N 3.09Å; Q241-L243 PolarHBondContact O-N 3.03Å; L243-G245 PolarHBondContact O-N 3.14Å; L243-E246 WeakPolarHBondContact O-CB 3.49Å; L243-E246 PolarHBondContact O-N 3.11Å; L243-L248 HydrophobicContact CD2-CD1 4.29Å; L243-I257 HydrophobicContact CB-CD1 4.07Å; L243-I257 HydrophobicContact CB-CG2 4.2Å; L243-I257 WeakPolarHBondContact O-CB 3.31Å; L243-I257 VanDerWaalsContact O-CG2 3.24Å; L243-I257 WeakPolarHBondContact O-CG2 3.48Å |
| 244 | C | 80.7 | Confident | 77.6 | Confident | 35 Ų | 35 | 58 Ų | 58 | 24% | 0.236 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 126.5 | -175.5 | -172.6 | 0 | 0 | 0 | 0 | 111.1 | A240 Q241 S258 N259 | A240-C244 PolarHBondContact O-N 3.35Å; Q241-C244 WeakPolarHBondContact O-CB 3.11Å; Q241-C244 PolarHBondContact O-N 2.66Å; Q241-C244 VanDerWaalsContact O-N 3.12Å; C244-S258 VanDerWaalsContact SG-C 3.55Å; C244-N259 PolarHBondContact SG-N 2.78Å; C244-N259 PolarHBondContact SG-OD1 3.19Å |
| 245 | G | 73.5 | Confident | 77.8 | Confident | 47 Ų | 47 | 57.9 Ų | 57.9 | 49% | 0.485 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | -3.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L243 I257 | L243-G245 PolarHBondContact O-N 3.14Å; G245-I257 WeakPolarHBondContact CA-O 3.11Å; G245-I257 PolarHBondContact N-O 3.19Å |
| 246 | E | 74.9 | Confident | 78.2 | Confident | 108 Ų | 108 | 58.8 Ų | 58.8 | 51% | 0.505 | 33% | 0.333 | S | S | . | . | trans | -89.4 | 143.3 | 177.5 | -65.7 | -65.7 | 139.1 | 0 | 0 | 111.6 | L243 L248 I257 | L243-E246 WeakPolarHBondContact O-CB 3.49Å; L243-E246 PolarHBondContact O-N 3.11Å; E246-L248 HydrophobicContact CB-CD2 4.3Å; E246-I257 PolarHBondContact O-N 3.36Å | ||
| 247 | D | 80.5 | Confident | 78.9 | Confident | 79 Ų | 79 | 55.4 Ų | 55.4 | 42% | 0.422 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 112.4 | 167.7 | -70.1 | -88 | 0 | 0 | 0 | 108.5 | R197 V255 H256 | R197-D247 IonicContact NH1-OD1 2.72Å; R197-D247 PolarHBondContact NH1-OD1 3.47Å; D247-V255 CarbonylContact C-O 3.48Å; D247-V255 WeakPolarHBondContact CA-O 3.39Å; D247-H256 IonicContact OD1-CG 3.07Å; D247-H256 IonicContact OD1-ND1 3.07Å; D247-H256 PolarHBondContact OD1-ND1 2.92Å; D247-H256 VanDerWaalsContact OD1-ND1 3.15Å; D247-H256 IonicContact OD2-ND1 2.69Å |
| 248 | L | 81.3 | Confident | 79.2 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 10% | 0.099 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 153.1 | 178.5 | -58.8 | -170.4 | 0 | 0 | 0 | 110.9 | F210 F211 Y214 L243 E246 S254 V255 I257 | F210-L248 HydrophobicContact CE1-CB 4.11Å; F210-L248 HydrophobicContact CE1-CD1 3.71Å; F210-L248 HydrophobicContact CZ-CB 4.27Å; F210-L248 HydrophobicContact CZ-CD1 4.38Å; F211-L248 HydrophobicContact CE1-CD1 3.75Å; F211-L248 HydrophobicContact CZ-CD1 4.35Å; Y214-L248 HydrophobicContact CE2-CD1 3.74Å; L243-L248 HydrophobicContact CD2-CD1 4.29Å; E246-L248 HydrophobicContact CB-CD2 4.3Å; L248-S254 CarbonylContact O-C 3.55Å; L248-S254 WeakPolarHBondContact O-CA 3.43Å; L248-V255 HydrophobicContact CB-CG2 3.97Å; L248-V255 PolarHBondContact N-O 3.5Å; L248-V255 WeakPolarHBondContact O-CG2 3.33Å; L248-V255 PolarHBondContact O-N 3.02Å; L248-I257 HydrophobicContact CD1-CD1 3.33Å; L248-I257 HydrophobicContact CG-CD1 3.65Å; L248-I257 HydrophobicContact CG-CG1 4.46Å |
| 249 | I | 78.3 | Confident | 79.4 | Confident | 115 Ų | 115 | 51.5 Ų | 51.5 | 59% | 0.59 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 113.4 | 177.4 | -59 | 175.6 | 0 | 0 | 0 | 109.2 | I253 | I249-I253 CarbonylContact C-O 3.42Å; I249-I253 WeakPolarHBondContact CA-O 3.26Å |
| 250 | I | 78.6 | Confident | 78.9 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 116.7 | 176.7 | -55.8 | -177.6 | 0 | 0 | 0 | 107.7 | M202 L207 F210 F211 G252 I253 V255 | M202-I250 HydrophobicContact CE-CB 3.88Å; M202-I250 HydrophobicContact CE-CG2 4.08Å; M202-I250 WeakPolarHBondContact CE-O 3.19Å; M202-I250 HydrophobicContact SD-CG2 4.49Å; L207-I250 HydrophobicContact CD2-CD1 3.69Å; F210-I250 HydrophobicContact CD1-CD1 3.59Å; F210-I250 HydrophobicContact CD1-CG1 3.7Å; F210-I250 HydrophobicContact CD2-CG1 4.14Å; F210-I250 HydrophobicContact CE1-CD1 3.86Å; F210-I250 HydrophobicContact CE1-CG1 3.61Å; F210-I250 HydrophobicContact CE2-CG1 4.07Å; F210-I250 HydrophobicContact CG-CD1 4.07Å; F210-I250 HydrophobicContact CG-CG1 3.96Å; F210-I250 HydrophobicContact CZ-CG1 3.81Å; F211-I250 HydrophobicContact CE2-CD1 4.18Å; F211-I250 HydrophobicContact CZ-CD1 4.4Å; I250-G252 PolarHBondContact O-N 3.08Å; I250-I253 PolarHBondContact N-O 2.6Å; I250-I253 WeakPolarHBondContact O-CB 3.28Å; I250-I253 PolarHBondContact O-N 3.09Å; I250-V255 HydrophobicContact CD1-CG1 4.25Å; I250-V255 HydrophobicContact CD1-CG2 3.61Å; I250-V255 HydrophobicContact CG1-CG1 4.45Å; I250-V255 HydrophobicContact CG1-CG2 3.83Å |
| 251 | K | 72.4 | Confident | 78.5 | Confident | 138 Ų | 138 | 58.5 Ų | 58.5 | 60% | 0.6 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 35.4 | -177.9 | -58.9 | 174.7 | 79.1 | 173.2 | 0 | 113.8 | E206 I253 | E206-K251 IonicContact OE1-NZ 2.78Å; E206-K251 PolarHBondContact OE1-NZ 3.45Å; E206-K251 IonicContact OE2-NZ 2.7Å; K251-I253 VanDerWaalsContact C-N 3.26Å; K251-I253 PolarHBondContact O-N 2.84Å |
| 252 | G | 72.2 | Confident | 77.4 | Confident | 71 Ų | 71 | 58.7 Ų | 58.7 | 73% | 0.732 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | 2.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | I250 | I250-G252 PolarHBondContact O-N 3.08Š|
| 253 | I | 77.6 | Confident | 76 | Confident | 55 Ų | 55 | 62.6 Ų | 62.6 | 28% | 0.282 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 127.1 | 178 | -61.7 | 156.2 | 0 | 0 | 0 | 108.9 | T199 M202 I249 I250 K251 V255 | T199-I253 HydrophobicContact CG2-CD1 3.62Å; T199-I253 HydrophobicContact CG2-CG1 4.39Å; T199-I253 HydrophobicContact CG2-CG2 4.18Å; T199-I253 WeakPolarHBondContact OG1-CD1 3.46Å; M202-I253 HydrophobicContact CE-CB 3.58Å; M202-I253 HydrophobicContact CE-CD1 3.69Å; M202-I253 HydrophobicContact CE-CG1 4.25Å; M202-I253 HydrophobicContact CE-CG2 3.72Å; I249-I253 CarbonylContact C-O 3.42Å; I249-I253 WeakPolarHBondContact CA-O 3.26Å; I250-I253 PolarHBondContact N-O 2.6Å; I250-I253 WeakPolarHBondContact O-CB 3.28Å; I250-I253 PolarHBondContact O-N 3.09Å; K251-I253 VanDerWaalsContact C-N 3.26Å; K251-I253 PolarHBondContact O-N 2.84Å; I253-V255 PolarHBondContact O-N 2.88Å |
| 254 | S | 81.3 | Confident | 74 | Confident | 52 Ų | 52 | 69.9 Ų | 69.9 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 111.7 | 174.9 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | L248 | L248-S254 CarbonylContact O-C 3.55Å; L248-S254 WeakPolarHBondContact O-CA 3.43Å |
| 255 | V | 86.3 | Confident | 71.9 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 141.8 | 172 | -58.7 | 0 | 0 | 0 | 0 | 109.7 | V195 G196 M202 D247 L248 I250 I253 | V195-V255 HydrophobicContact CG1-CB 3.88Å; V195-V255 HydrophobicContact CG1-CG1 4.42Å; V195-V255 HydrophobicContact CG1-CG2 3.96Å; G196-V255 WeakPolarHBondContact O-CA 3.29Å; G196-V255 WeakPolarHBondContact O-CB 3.3Å; M202-V255 HydrophobicContact CE-CG1 3.81Å; M202-V255 HydrophobicContact SD-CG1 3.96Å; D247-V255 CarbonylContact C-O 3.48Å; D247-V255 WeakPolarHBondContact CA-O 3.39Å; L248-V255 HydrophobicContact CB-CG2 3.97Å; L248-V255 PolarHBondContact N-O 3.5Å; L248-V255 WeakPolarHBondContact O-CG2 3.33Å; L248-V255 PolarHBondContact O-N 3.02Å; I250-V255 HydrophobicContact CD1-CG1 4.25Å; I250-V255 HydrophobicContact CD1-CG2 3.61Å; I250-V255 HydrophobicContact CG1-CG1 4.45Å; I250-V255 HydrophobicContact CG1-CG2 3.83Å; I253-V255 PolarHBondContact O-N 2.88Å |
| 256 | H | 80.4 | Confident | 70.1 | Confident | 56 Ų | 56 | 77.7 Ų | 77.7 | 26% | 0.259 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 130 | -179.2 | -176.4 | 74.2 | 0 | 0 | 0 | 110.3 | G196 D247 | G196-H256 PolarHBondContact N-O 2.78Å; G196-H256 PolarHBondContact O-N 3.4Å; D247-H256 IonicContact OD1-CG 3.07Å; D247-H256 IonicContact OD1-ND1 3.07Å; D247-H256 PolarHBondContact OD1-ND1 2.92Å; D247-H256 VanDerWaalsContact OD1-ND1 3.15Å; D247-H256 IonicContact OD2-ND1 2.69Å |
| 257 | I | 86.4 | Confident | 68.2 | Low | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.7 | -179.2 | -55.5 | -179.9 | 0 | 0 | 0 | 110.1 | V193 F194 F211 L243 G245 E246 L248 | V193-I257 HydrophobicContact CB-CG2 3.75Å; V193-I257 HydrophobicContact CG1-CG2 4.12Å; V193-I257 HydrophobicContact CG2-CG2 4.08Å; F194-I257 CarbonylContact O-C 3.41Å; F194-I257 WeakPolarHBondContact O-CA 3.49Å; F211-I257 HydrophobicContact CE1-CD1 3.47Å; F211-I257 VanDerWaalsContact CE1-CD1 3.47Å; F211-I257 HydrophobicContact CZ-CD1 3.74Å; F211-I257 HydrophobicContact CZ-CG1 4.39Å; L243-I257 HydrophobicContact CB-CD1 4.07Å; L243-I257 HydrophobicContact CB-CG2 4.2Å; L243-I257 WeakPolarHBondContact O-CB 3.31Å; L243-I257 VanDerWaalsContact O-CG2 3.24Å; L243-I257 WeakPolarHBondContact O-CG2 3.48Å; G245-I257 WeakPolarHBondContact CA-O 3.11Å; G245-I257 PolarHBondContact N-O 3.19Å; E246-I257 PolarHBondContact O-N 3.36Å; L248-I257 HydrophobicContact CD1-CD1 3.33Å; L248-I257 HydrophobicContact CG-CD1 3.65Å; L248-I257 HydrophobicContact CG-CG1 4.46Å |
| 258 | S | 78.6 | Confident | 66.2 | Low | 35 Ų | 35 | 86.9 Ų | 86.9 | 25% | 0.245 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 170.5 | 175.8 | 67.7 | 0 | 0 | 0 | 0 | 112.1 | F194 C244 A260 | F194-S258 VanDerWaalsContact CD1-OG 3.26Å; F194-S258 WeakPolarHBondContact CD1-OG 3.25Å; F194-S258 PolarHBondContact N-O 2.87Å; F194-S258 PolarHBondContact O-N 3.34Å; C244-S258 VanDerWaalsContact SG-C 3.55Å; S258-A260 PolarHBondContact O-N 3.09Å |
| 259 | N | 80.1 | Confident | 64.2 | Low | 78 Ų | 78 | 94.8 Ų | 94.8 | 42% | 0.417 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 130.1 | 174.7 | -63.4 | 98.5 | 0 | 0 | 0 | 109.2 | C244 E261 | C244-N259 PolarHBondContact SG-N 2.78Å; C244-N259 PolarHBondContact SG-OD1 3.19Å; N259-E261 PolarHBondContact O-N 3.28Å; N259-E261 VanDerWaalsContact O-N 3.16Å |
| 260 | A | 72.5 | Confident | 62.2 | Low | 5 Ų | 5 | 96.2 Ų | 96.2 | 4% | 0.041 | 50% | 0.498 | C | S | . | . | trans | -71.2 | 115.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110 | K192 F194 F231 S258 | K192-A260 HydrophobicContact CB-CB 3.99Å; K192-A260 HydrophobicContact CD-CB 3.99Å; K192-A260 HydrophobicContact CG-CB 3.54Å; K192-A260 WeakPolarHBondContact O-CB 3.21Å; K192-A260 PolarHBondContact O-N 3.05Å; F194-A260 HydrophobicContact CB-CB 4.45Å; F231-A260 HydrophobicContact CD1-CB 3.91Å; F231-A260 HydrophobicContact CE1-CB 4.11Å; S258-A260 PolarHBondContact O-N 3.09Å | ||
| 261 | E | 71.3 | Confident | 60.2 | Low | 167 Ų | 167 | 105.4 Ų | 105.4 | 78% | 0.78 | 54% | 0.541 | S | S | * | . | trans | -67.7 | 125.9 | 172.1 | -65.4 | -171.7 | 116.7 | 0 | 0 | 109.4 | N259 K263 | N259-E261 PolarHBondContact O-N 3.28Å; N259-E261 VanDerWaalsContact O-N 3.16Å; E261-K263 PolarHBondContact O-N 3.39Å; E261-K263 VanDerWaalsContact O-N 3.12Å | ||
| 262 | P | 55.7 | Low | 58.4 | Low | 79 Ų | 79 | 111.1 Ų | 111.1 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | trans | -62.1 | 122.5 | 173.4 | 24.4 | -30.1 | 0 | 0 | 0 | 107.3 | H264 | P262-H264 PolarHBondContact O-N 3.15Š| ||
| 263 | K | 51.6 | Low | 56.9 | Low | 161 Ų | 161 | 112.9 Ų | 112.9 | 70% | 0.7 | 56% | 0.56 | S | S | * | * | trans | -59.7 | 96.5 | 164.4 | -79.1 | -173.6 | 177.2 | 179.6 | 0 | 107.2 | E261 N265 | E261-K263 PolarHBondContact O-N 3.39Å; E261-K263 VanDerWaalsContact O-N 3.12Å; K263-N265 PolarHBondContact O-N 2.97Å; K263-N265 VanDerWaalsContact O-N 3.16Å | ||
| 264 | H | 40.7 | Very low | 54.7 | Low | 161 Ų | 161 | 113.8 Ų | 113.8 | 75% | 0.745 | 58% | 0.583 | S | S | * | * | trans | -54.6 | 123 | 160.1 | -160.7 | 77 | 0 | 0 | 0 | 105 | P262 S266 | P262-H264 PolarHBondContact O-N 3.15Å; H264-S266 PolarHBondContact O-N 2.86Å; H264-S266 PolarHBondContact O-OG 2.81Å | ||
| 265 | N | 35.7 | Very low | 52.5 | Low | 146 Ų | 146 | 122.6 Ų | 122.6 | 78% | 0.781 | 61% | 0.608 | S | S | * | * | trans | -70.9 | 74.8 | 177.7 | -163.4 | 18.3 | 0 | 0 | 0 | 107.5 | K263 N267 | K263-N265 PolarHBondContact O-N 2.97Å; K263-N265 VanDerWaalsContact O-N 3.16Å; N265-N267 PolarHBondContact O-N 3.33Å | ||
| 266 | S | 35.3 | Very low | 50 | Low | 100 Ų | 100 | 133.3 Ų | 133.3 | 70% | 0.699 | 66% | 0.655 | S | S | * | * | trans | -75.5 | 56.8 | 174.3 | -56.5 | 0 | 0 | 0 | 0 | 109.1 | H264 | H264-S266 PolarHBondContact O-N 2.86Å; H264-S266 PolarHBondContact O-OG 2.81Å | ||
| 267 | N | 34.4 | Very low | 47.8 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 71% | 0.711 | 68% | 0.68 | S | S | * | * | trans | -117.8 | 43.7 | 168.5 | -152.2 | 30.9 | 0 | 0 | 0 | 111.1 | N265 | N265-N267 PolarHBondContact O-N 3.33Š| ||
| 268 | R | 40.2 | Very low | 45.2 | Very low | 247 Ų | 247 | 137.7 Ų | 137.7 | 93% | 0.932 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -133.8 | 27.7 | 170.3 | -127.5 | -175.3 | -154.5 | -172.9 | 6.2 | 113.9 | ||
| 269 | Q | 38.1 | Very low | 43 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -145.5 | 54.2 | 170.5 | -151.7 | 176.6 | 23.9 | 0 | 0 | 111.5 | ||
| 270 | L | 37.3 | Very low | 41 | Very low | 145 Ų | 145 | 147.6 Ų | 147.6 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -143.4 | 40.9 | 162.1 | -136.9 | 95.7 | 0 | 0 | 0 | 112 | ||
| 271 | E | 35.5 | Very low | 40 | Very low | 198 Ų | 198 | 152.2 Ų | 152.2 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -142.1 | 51 | 167 | -74.5 | -154.8 | 114.4 | 0 | 0 | 111.5 | ||
| 272 | R | 35.8 | Very low | 38.4 | Very low | 258 Ų | 258 | 154 Ų | 154 | 97% | 0.974 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -137.2 | 19.3 | 161.7 | -116.3 | -176 | -173.9 | -166.3 | 1.4 | 114.7 | ||
| 273 | S | 40.4 | Very low | 37.5 | Very low | 108 Ų | 108 | 153.4 Ų | 153.4 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -129.1 | 89 | 171.3 | 56.6 | 0 | 0 | 0 | 0 | 109.4 | ||
| 274 | G | 31.6 | Very low | 37 | Very low | 74 Ų | 74 | 157.3 Ų | 157.3 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | 142.4 | 74 | 166 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 275 | R | 34.1 | Very low | 37.2 | Very low | 237 Ų | 237 | 158.9 Ų | 158.9 | 89% | 0.894 | 85% | 0.846 | S | S | * | * | trans | -177.7 | 89.9 | 136.5 | -105.8 | 176.8 | -176 | -171.5 | 2.4 | 110.7 | ||||
| 276 | F | 34.6 | Very low | 37.2 | Very low | 225 Ų | 225 | 159.5 Ų | 159.5 | 99% | 0.987 | 85% | 0.85 | S | S | * | * | trans | -147.2 | 80.8 | 132.9 | -102.3 | -78.1 | 0 | 0 | 0 | 106.4 | ||||
| 277 | G | 33.8 | Very low | 37.3 | Very low | 77 Ų | 77 | 162.6 Ų | 162.6 | 79% | 0.794 | 86% | 0.858 | S | S | * | * | trans | -88.8 | 135.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 278 | G | 32.6 | Very low | 37.5 | Very low | 71 Ų | 71 | 164.3 Ų | 164.3 | 73% | 0.732 | 87% | 0.866 | S | S | * | * | trans | 134.4 | 87.5 | 153.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 279 | K | 32.8 | Very low | 37.3 | Very low | 212 Ų | 212 | 159.4 Ų | 159.4 | 92% | 0.922 | 86% | 0.862 | S | S | * | * | 166.3 | 102.7 | 116.4 | -89.7 | 170.6 | 174.9 | -175.5 | 0 | 110.9 | |||||
| 280 | S | 38 | Very low | 37.3 | Very low | 110 Ų | 110 | 157.8 Ų | 157.8 | 77% | 0.769 | 86% | 0.861 | S | S | * | * | trans | -82.7 | 162.4 | 138.5 | -44.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 281 | P | 49.6 | Very low | 37.3 | Very low | 102 Ų | 102 | 158.6 Ų | 158.6 | 66% | 0.662 | 87% | 0.868 | S | S | * | * | cis | -147.9 | -170.5 | 43.2 | 27.3 | 0.7 | 0 | 0 | 0 | 115.9 | ||||
| 282 | F | 37.8 | Very low | 37.4 | Very low | 205 Ų | 205 | 155.8 Ų | 155.8 | 90% | 0.899 | 86% | 0.864 | S | S | * | * | trans | 83.4 | 130.4 | 170.8 | -60.5 | -84.8 | 0 | 0 | 0 | 115.7 | ||||
| 283 | G | 38.1 | Very low | 37.6 | Very low | 66 Ų | 66 | 147.9 Ų | 147.9 | 68% | 0.68 | 86% | 0.856 | S | S | * | * | cis | 133.4 | 112.2 | 8.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 284 | R | 41.6 | Very low | 37.3 | Very low | 243 Ų | 243 | 151.3 Ų | 151.3 | 92% | 0.917 | 86% | 0.864 | S | S | * | * | trans | 70.6 | 138.3 | 157.2 | -80.2 | -175 | 173.3 | -159.4 | -2.7 | 121.3 | ||||
| 285 | S | 43.2 | Very low | 37.8 | Very low | 193 Ų | 193 | 158.3 Ų | 158.3 | 100% | 1.35 | 87% | 0.873 | S | S | * | * | trans | 86.4 | 0 | 150.8 | -67.4 | 0 | 0 | 0 | 0 | 117.3 |
Retrieved 285 of 285 residues in 252.1 ms
(Link to these results)